| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.9 | Very low | 68.6 | Low | 229 Ų | 229 | 82.6 Ų | 82.6 | 100% | 1.128 | 48% | 0.478 | S | S | * | . | 0 | 141.3 | 0 | -77 | -59.2 | -179.1 | 0 | 0 | 108.9 | |||||
| 2 | L | 49.4 | Very low | 69.9 | Low | 56 Ų | 56 | 80.6 Ų | 80.6 | 29% | 0.293 | 47% | 0.472 | S | S | . | . | trans | -70.9 | 155 | 167.3 | -83.2 | 72.5 | 0 | 0 | 0 | 109.4 | L6 I7 | L2-L6 HydrophobicContact CD2-CB 4.26Å; L2-L6 HydrophobicContact CD2-CD2 3.89Å; L2-L6 HydrophobicContact CD2-CG 4.06Å; L2-L6 HydrophobicContact CG-CD2 4.06Å; L2-I7 HydrophobicContact CB-CD1 4.08Å; L2-I7 HydrophobicContact CB-CG1 3.65Å; L2-I7 HydrophobicContact CD2-CG1 4.11Å | ||
| 3 | S | 61.2 | Low | 71.1 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | trans | -65.9 | 149.7 | 166.1 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | S5 L6 I7 | S3-S5 PolarHBondContact O-N 2.92Å; S3-S5 VanDerWaalsContact O-N 3.16Å; S3-S5 PolarHBondContact OG-OG 2.99Å; S3-L6 PolarHBondContact O-N 3.16Å; S3-L6 WeakPolarHBondContact OG-CB 3.5Å; S3-L6 PolarHBondContact OG-N 3.37Å; S3-I7 PolarHBondContact O-N 3.1Å | ||
| 4 | P | 61.5 | Low | 72.2 | Confident | 112 Ų | 112 | 71.4 Ų | 71.4 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.1 | -33.7 | 177.6 | -27.3 | 35.6 | 0 | 0 | 0 | 113.4 | S8 | P4-S8 PolarHBondContact O-N 3.14Å; P4-S8 VanDerWaalsContact O-N 3.12Å |
| 5 | S | 64.6 | Low | 73.1 | Confident | 84 Ų | 84 | 71.7 Ų | 71.7 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.3 | -44.2 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | S3 S8 T9 | S3-S5 PolarHBondContact O-N 2.92Å; S3-S5 VanDerWaalsContact O-N 3.16Å; S3-S5 PolarHBondContact OG-OG 2.99Å; S5-S8 WeakPolarHBondContact O-CB 3.46Å; S5-S8 PolarHBondContact O-N 3.13Å; S5-T9 PolarHBondContact O-N 3.24Å; S5-T9 VanDerWaalsContact O-N 3.13Å; S5-T9 PolarHBondContact O-OG1 3.13Å |
| 6 | L | 72 | Confident | 73.7 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 48% | 0.482 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.3 | -34.5 | -176.4 | -161.5 | 68 | 0 | 0 | 0 | 111.8 | L2 S3 T9 V10 | L2-L6 HydrophobicContact CD2-CB 4.26Å; L2-L6 HydrophobicContact CD2-CD2 3.89Å; L2-L6 HydrophobicContact CD2-CG 4.06Å; L2-L6 HydrophobicContact CG-CD2 4.06Å; S3-L6 PolarHBondContact O-N 3.16Å; S3-L6 WeakPolarHBondContact OG-CB 3.5Å; S3-L6 PolarHBondContact OG-N 3.37Å; L6-T9 WeakPolarHBondContact CA-OG1 3.42Å; L6-T9 PolarHBondContact O-N 3.28Å; L6-T9 PolarHBondContact O-OG1 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.48Å; L6-V10 PolarHBondContact O-N 3.43Å |
| 7 | I | 76.8 | Confident | 74.4 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 171.8 | -60.5 | 174.3 | 0 | 0 | 0 | 110.3 | L2 S3 T9 V10 F11 | L2-I7 HydrophobicContact CB-CD1 4.08Å; L2-I7 HydrophobicContact CB-CG1 3.65Å; L2-I7 HydrophobicContact CD2-CG1 4.11Å; S3-I7 PolarHBondContact O-N 3.1Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 2.81Å; I7-V10 PolarHBondContact O-N 3.28Å; I7-V10 VanDerWaalsContact O-N 3.16Å; I7-F11 HydrophobicContact CG2-CD1 4.39Å; I7-F11 HydrophobicContact CG2-CD2 4.3Å; I7-F11 HydrophobicContact CG2-CE1 3.9Å; I7-F11 HydrophobicContact CG2-CE2 3.81Å; I7-F11 HydrophobicContact CG2-CZ 3.59Å; I7-F11 PolarHBondContact O-N 3.2Å |
| 8 | S | 78.2 | Confident | 74.8 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.6 | -38 | 177.8 | -166.1 | 0 | 0 | 0 | 0 | 112.8 | P4 S5 S12 | P4-S8 PolarHBondContact O-N 3.14Å; P4-S8 VanDerWaalsContact O-N 3.12Å; S5-S8 WeakPolarHBondContact O-CB 3.46Å; S5-S8 PolarHBondContact O-N 3.13Å; S8-S12 PolarHBondContact O-N 3.37Å; S8-S12 VanDerWaalsContact O-N 3.13Å |
| 9 | T | 81.6 | Confident | 74.9 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 174.4 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | S5 L6 I7 S12 Q13 | S5-T9 PolarHBondContact O-N 3.24Å; S5-T9 VanDerWaalsContact O-N 3.13Å; S5-T9 PolarHBondContact O-OG1 3.13Å; L6-T9 WeakPolarHBondContact CA-OG1 3.42Å; L6-T9 PolarHBondContact O-N 3.28Å; L6-T9 PolarHBondContact O-OG1 3.28Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 2.81Å; T9-S12 PolarHBondContact O-N 2.8Å; T9-Q13 WeakPolarHBondContact O-CB 3.43Å; T9-Q13 PolarHBondContact O-N 3.37Å |
| 10 | V | 84 | Confident | 74.9 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.9 | 165.2 | 0 | 0 | 0 | 0 | 111.5 | L6 I7 Q13 I14 I36 T44 | L6-V10 WeakPolarHBondContact O-CG2 3.48Å; L6-V10 PolarHBondContact O-N 3.43Å; I7-V10 PolarHBondContact O-N 3.28Å; I7-V10 VanDerWaalsContact O-N 3.16Å; V10-Q13 PolarHBondContact O-N 3.24Å; V10-I14 HydrophobicContact CG1-CD1 4.33Å; V10-I14 WeakPolarHBondContact O-CG1 3.48Å; V10-I14 PolarHBondContact O-N 2.92Å; V10-I14 VanDerWaalsContact O-N 3.09Å; V10-I36 HydrophobicContact CG1-CG2 3.71Å; V10-T44 HydrophobicContact CG1-CG2 4.06Å |
| 11 | F | 86.8 | Confident | 74.7 | Confident | 52 Ų | 52 | 65 Ų | 65 | 23% | 0.228 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 175.5 | -70.1 | -6.1 | 0 | 0 | 0 | 111.9 | I7 Q13 I14 E15 E43 H47 | I7-F11 HydrophobicContact CG2-CD1 4.39Å; I7-F11 HydrophobicContact CG2-CD2 4.3Å; I7-F11 HydrophobicContact CG2-CE1 3.9Å; I7-F11 HydrophobicContact CG2-CE2 3.81Å; I7-F11 HydrophobicContact CG2-CZ 3.59Å; I7-F11 PolarHBondContact O-N 3.2Å; F11-Q13 VanDerWaalsContact C-N 3.27Å; F11-Q13 PolarHBondContact O-N 3.49Å; F11-I14 WeakPolarHBondContact O-CB 3.28Å; F11-I14 PolarHBondContact O-N 3.09Å; F11-E15 PolarHBondContact O-N 3.49Å; F11-E43 HydrophobicContact CE1-CB 4.32Å; F11-E43 HydrophobicContact CZ-CB 4Å; F11-E43 HydrophobicContact CZ-CG 4.29Å; F11-H47 HydrophobicContact CD1-CB 3.96Å; F11-H47 AromaticContact CD1-CD2 3.91Å; F11-H47 AromaticContact CD1-CG 3.8Å; F11-H47 HydrophobicContact CE1-CB 3.95Å; F11-H47 HydrophobicContact CG-CB 4.41Å; F11-H47 AromaticContact CG-CD2 3.94Å; F11-H47 AromaticContact CG-CG 3.83Å; F11-H47 AromaticContact CG-ND1 3.92Å; F11-H47 HydrophobicContact CZ-CB 4.37Å; F11-H47 PolarHBondContact O-NE2 2.89Å |
| 12 | S | 83.9 | Confident | 76.4 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 177.7 | -170.8 | 0 | 0 | 0 | 0 | 112.8 | S8 T9 E15 S16 | S8-S12 PolarHBondContact O-N 3.37Å; S8-S12 VanDerWaalsContact O-N 3.13Å; T9-S12 PolarHBondContact O-N 2.8Å; S12-E15 PolarHBondContact O-N 2.86Å; S12-S16 WeakPolarHBondContact O-CB 3.4Å; S12-S16 PolarHBondContact O-N 3.01Å |
| 13 | Q | 85.7 | Confident | 77.6 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 15% | 0.15 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 173.2 | -176.7 | 63.6 | -2.9 | 0 | 0 | 112.1 | T9 V10 F11 S16 L17 E32 I36 | T9-Q13 WeakPolarHBondContact O-CB 3.43Å; T9-Q13 PolarHBondContact O-N 3.37Å; V10-Q13 PolarHBondContact O-N 3.24Å; F11-Q13 VanDerWaalsContact C-N 3.27Å; F11-Q13 PolarHBondContact O-N 3.49Å; Q13-S16 WeakPolarHBondContact O-CB 3.43Å; Q13-S16 PolarHBondContact O-N 2.87Å; Q13-L17 HydrophobicContact CG-CD1 3.91Å; Q13-L17 HydrophobicContact CG-CG 4.31Å; Q13-L17 WeakPolarHBondContact O-CB 3.45Å; Q13-L17 WeakPolarHBondContact O-CG 3.4Å; Q13-L17 PolarHBondContact O-N 2.9Å; Q13-E32 PolarHBondContact NE2-OE1 3.18Å; Q13-I36 HydrophobicContact CG-CD1 4.15Å |
| 14 | I | 86.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 173.9 | -70.2 | 168.5 | 0 | 0 | 0 | 111.5 | V10 F11 S16 L17 V18 I36 T44 F48 | V10-I14 HydrophobicContact CG1-CD1 4.33Å; V10-I14 WeakPolarHBondContact O-CG1 3.48Å; V10-I14 PolarHBondContact O-N 2.92Å; V10-I14 VanDerWaalsContact O-N 3.09Å; F11-I14 WeakPolarHBondContact O-CB 3.28Å; F11-I14 PolarHBondContact O-N 3.09Å; I14-S16 VanDerWaalsContact C-N 3.28Å; I14-S16 PolarHBondContact O-N 3.07Å; I14-L17 PolarHBondContact O-N 2.93Å; I14-V18 HydrophobicContact CG2-CG2 4.35Å; I14-V18 WeakPolarHBondContact O-CB 3.37Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.79Å; I14-I36 HydrophobicContact CD1-CG2 3.79Å; I14-I36 HydrophobicContact CG1-CG2 4.02Å; I14-T44 HydrophobicContact CD1-CG2 3.45Å; I14-T44 VanDerWaalsContact CD1-CG2 3.45Å; I14-F48 HydrophobicContact CG2-CB 4.03Å; I14-F48 HydrophobicContact CG2-CD2 4.18Å |
| 15 | E | 85.6 | Confident | 79.2 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.7 | -46 | 174.9 | -72.2 | 179.7 | 166.4 | 0 | 0 | 110.8 | F11 S12 V18 Y19 H47 | F11-E15 PolarHBondContact O-N 3.49Å; S12-E15 PolarHBondContact O-N 2.86Å; E15-V18 PolarHBondContact O-N 3.03Å; E15-Y19 WeakPolarHBondContact O-CB 3.23Å; E15-Y19 PolarHBondContact O-N 3.4Å; E15-H47 IonicContact OE1-CE1 3.81Å; E15-H47 PolarHBondContact OE1-CE1 3.24Å; E15-H47 IonicContact OE1-NE2 2.72Å |
| 16 | S | 83.6 | Confident | 79.9 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 12% | 0.119 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -49.4 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | S12 Q13 I14 V18 Y19 F20 F1070 | S12-S16 WeakPolarHBondContact O-CB 3.4Å; S12-S16 PolarHBondContact O-N 3.01Å; Q13-S16 WeakPolarHBondContact O-CB 3.43Å; Q13-S16 PolarHBondContact O-N 2.87Å; I14-S16 VanDerWaalsContact C-N 3.28Å; I14-S16 PolarHBondContact O-N 3.07Å; S16-V18 VanDerWaalsContact C-N 3.34Å; S16-V18 PolarHBondContact O-N 3.44Å; S16-Y19 PolarHBondContact O-N 3.31Å; S16-F20 WeakPolarHBondContact O-CD2 3.34Å; S16-F20 PolarHBondContact O-N 2.96Å; S16-F1070 WeakPolarHBondContact OG-CD2 3.04Å |
| 17 | L | 84.6 | Confident | 80.4 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.3 | -27.2 | -178.2 | -69.9 | 170.2 | 0 | 0 | 0 | 113.8 | Q13 I14 N29 E32 I33 I36 | Q13-L17 HydrophobicContact CG-CD1 3.91Å; Q13-L17 HydrophobicContact CG-CG 4.31Å; Q13-L17 WeakPolarHBondContact O-CB 3.45Å; Q13-L17 WeakPolarHBondContact O-CG 3.4Å; Q13-L17 PolarHBondContact O-N 2.9Å; I14-L17 PolarHBondContact O-N 2.93Å; L17-N29 HydrophobicContact CB-CB 4.42Å; L17-N29 HydrophobicContact CD2-CB 4.14Å; L17-N29 PolarHBondContact O-ND2 3.26Å; L17-E32 HydrophobicContact CD1-CB 4.17Å; L17-E32 HydrophobicContact CD1-CG 3.81Å; L17-E32 WeakPolarHBondContact CD2-OE2 3.32Å; L17-I33 HydrophobicContact CB-CD1 3.89Å; L17-I33 HydrophobicContact CB-CG1 3.99Å; L17-I33 HydrophobicContact CD1-CG1 3.92Å; L17-I36 HydrophobicContact CD1-CD1 4Å |
| 18 | V | 81.7 | Confident | 80.8 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -79.9 | -41.6 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I14 E15 S16 R21 I33 F48 C51 | I14-V18 HydrophobicContact CG2-CG2 4.35Å; I14-V18 WeakPolarHBondContact O-CB 3.37Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.79Å; E15-V18 PolarHBondContact O-N 3.03Å; S16-V18 VanDerWaalsContact C-N 3.34Å; S16-V18 PolarHBondContact O-N 3.44Å; V18-R21 VanDerWaalsContact O-CB 3.28Å; V18-R21 WeakPolarHBondContact O-CB 3.34Å; V18-I33 HydrophobicContact CG2-CD1 4.02Å; V18-F48 HydrophobicContact CG2-CD2 3.94Å; V18-F48 HydrophobicContact CG2-CE2 3.95Å; V18-C51 HydrophobicContact CB-CB 4.28Å; V18-C51 HydrophobicContact CG1-CB 4.15Å; V18-C51 HydrophobicContact CG2-CB 4.11Å |
| 19 | Y | 77 | Confident | 81.2 | Confident | 151 Ų | 151 | 64 Ų | 64 | 59% | 0.592 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -79.9 | -44.4 | -173.5 | -166.8 | -100.5 | 0 | 0 | 0 | 113.9 | E15 S16 R21 | E15-Y19 WeakPolarHBondContact O-CB 3.23Å; E15-Y19 PolarHBondContact O-N 3.4Å; S16-Y19 PolarHBondContact O-N 3.31Å; Y19-R21 PolarHBondContact O-N 3.22Å |
| 20 | F | 74.8 | Confident | 81.3 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 31% | 0.311 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 27 | -178.3 | -62.9 | -61.3 | 0 | 0 | 0 | 114 | S16 N22 N25 N1067 F1070 | S16-F20 WeakPolarHBondContact O-CD2 3.34Å; S16-F20 PolarHBondContact O-N 2.96Å; F20-N22 PolarHBondContact O-ND2 3.49Å; F20-N25 PolarHBondContact O-ND2 3.12Å; F20-N1067 WeakPolarHBondContact CD1-ND2 3.48Å; F20-N1067 WeakPolarHBondContact CE1-ND2 3.17Å; F20-N1067 WeakPolarHBondContact CG-ND2 3.42Å; F20-F1070 HydrophobicContact CE2-CE2 4.22Å |
| 21 | R | 71.3 | Confident | 81.3 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | trans | -83.1 | 133.3 | -169.8 | -168.4 | 174.3 | 176.8 | 81.7 | 3.5 | 112 | V18 Y19 H26 Y73 | V18-R21 VanDerWaalsContact O-CB 3.28Å; V18-R21 WeakPolarHBondContact O-CB 3.34Å; Y19-R21 PolarHBondContact O-N 3.22Å; R21-H26 PolarHBondContact NH1-O 2.86Å; R21-H26 PolarHBondContact NH2-ND1 3.05Å; R21-H26 PolarHBondContact NH2-O 3.11Å; R21-Y73 VanDerWaalsContact CZ-CD1 3.48Å | ||
| 22 | N | 74.6 | Confident | 81.3 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | trans | -148.8 | 172.7 | -177.2 | 66.7 | 69.9 | 0 | 0 | 0 | 111.7 | F20 K24 N25 H26 | F20-N22 PolarHBondContact O-ND2 3.49Å; N22-K24 PolarHBondContact O-N 3.48Å; N22-K24 VanDerWaalsContact O-N 3.11Å; N22-K24 WeakPolarHBondContact OD1-CA 3.27Å; N22-K24 WeakPolarHBondContact OD1-CB 3.49Å; N22-K24 PolarHBondContact OD1-N 3.09Å; N22-N25 PolarHBondContact N-OD1 3.31Å; N22-N25 VanDerWaalsContact ND2-CG 3.33Å; N22-N25 PolarHBondContact ND2-ND2 3.29Å; N22-N25 VanDerWaalsContact ND2-ND2 3.16Å; N22-N25 PolarHBondContact ND2-OD1 3.45Å; N22-N25 PolarHBondContact O-N 3.41Å; N22-N25 PolarHBondContact O-OD1 2.97Å; N22-N25 VanDerWaalsContact O-OD1 3.13Å; N22-N25 PolarHBondContact OD1-N 3.41Å; N22-N25 VanDerWaalsContact OD1-N 3.16Å; N22-H26 WeakPolarHBondContact O-CB 3.3Å; N22-H26 PolarHBondContact O-N 3.27Å | ||
| 23 | K | 73.3 | Confident | 81.4 | Confident | 161 Ų | 161 | 61 Ų | 61 | 70% | 0.7 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.6 | -176.2 | -170.6 | 173.2 | -177.8 | 174.8 | 0 | 114.6 | Y69 | K23-Y69 HydrophobicContact CD-CE1 4.42Š|
| 24 | K | 75.9 | Confident | 81.3 | Confident | 191 Ų | 191 | 63 Ų | 63 | 83% | 0.83 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -46 | 178.2 | -61 | -177.7 | 179.2 | 179.3 | 0 | 112.2 | N22 | N22-K24 PolarHBondContact O-N 3.48Å; N22-K24 VanDerWaalsContact O-N 3.11Å; N22-K24 WeakPolarHBondContact OD1-CA 3.27Å; N22-K24 WeakPolarHBondContact OD1-CB 3.49Å; N22-K24 PolarHBondContact OD1-N 3.09Å |
| 25 | N | 81.9 | Confident | 81.3 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.4 | -176 | 73.2 | -0.7 | 0 | 0 | 0 | 114.3 | F20 N22 K27 T28 N29 N1068 | F20-N25 PolarHBondContact O-ND2 3.12Å; N22-N25 PolarHBondContact N-OD1 3.31Å; N22-N25 VanDerWaalsContact ND2-CG 3.33Å; N22-N25 PolarHBondContact ND2-ND2 3.29Å; N22-N25 VanDerWaalsContact ND2-ND2 3.16Å; N22-N25 PolarHBondContact ND2-OD1 3.45Å; N22-N25 PolarHBondContact O-N 3.41Å; N22-N25 PolarHBondContact O-OD1 2.97Å; N22-N25 VanDerWaalsContact O-OD1 3.13Å; N22-N25 PolarHBondContact OD1-N 3.41Å; N22-N25 VanDerWaalsContact OD1-N 3.16Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.35Å; N25-K27 VanDerWaalsContact O-N 3.09Å; N25-T28 PolarHBondContact O-N 3.08Å; N25-N29 VanDerWaalsContact CB-OD1 3.28Å; N25-N29 WeakPolarHBondContact CB-OD1 3.16Å; N25-N29 PolarHBondContact O-N 2.96Å; N25-N29 PolarHBondContact O-OD1 3.39Å; N25-N29 VanDerWaalsContact O-OD1 3.07Å; N25-N1068 PolarHBondContact ND2-OD1 3.39Å |
| 26 | H | 79 | Confident | 81.2 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -36.5 | -52.5 | 178.9 | 163.7 | 65.6 | 0 | 0 | 0 | 115.7 | R21 N22 Q30 | R21-H26 PolarHBondContact NH1-O 2.86Å; R21-H26 PolarHBondContact NH2-ND1 3.05Å; R21-H26 PolarHBondContact NH2-O 3.11Å; N22-H26 WeakPolarHBondContact O-CB 3.3Å; N22-H26 PolarHBondContact O-N 3.27Å; H26-Q30 WeakPolarHBondContact O-CB 3.43Å; H26-Q30 PolarHBondContact O-N 3Å |
| 27 | K | 81.7 | Confident | 81.3 | Confident | 164 Ų | 164 | 67.1 Ų | 67.1 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70.8 | -47.3 | -179.3 | -71 | -168.8 | 176.2 | -172.6 | 0 | 111.8 | N25 Q30 S31 | N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.35Å; N25-K27 VanDerWaalsContact O-N 3.09Å; K27-Q30 WeakPolarHBondContact O-CB 3.48Å; K27-Q30 PolarHBondContact O-N 3.24Å; K27-Q30 VanDerWaalsContact O-N 3.13Å; K27-S31 PolarHBondContact O-N 2.94Å; K27-S31 PolarHBondContact O-OG 2.84Å |
| 28 | T | 85.4 | Confident | 81.2 | Confident | 85 Ų | 85 | 75.7 Ų | 75.7 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 179.9 | -45.4 | 0 | 0 | 0 | 0 | 111.3 | N25 Q30 S31 E32 | N25-T28 PolarHBondContact O-N 3.08Å; T28-Q30 PolarHBondContact O-N 3.43Å; T28-S31 WeakPolarHBondContact CA-OG 3.47Å; T28-S31 PolarHBondContact O-N 3.3Å; T28-S31 PolarHBondContact O-OG 3.24Å; T28-E32 WeakPolarHBondContact O-CB 3.5Å; T28-E32 PolarHBondContact O-N 3.38Å |
| 29 | N | 85.9 | Confident | 80.8 | Confident | 7 Ų | 7 | 81.8 Ų | 81.8 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.9 | -34.8 | 176.5 | -65.6 | 35.9 | 0 | 0 | 0 | 111.4 | L17 N25 I33 | L17-N29 HydrophobicContact CB-CB 4.42Å; L17-N29 HydrophobicContact CD2-CB 4.14Å; L17-N29 PolarHBondContact O-ND2 3.26Å; N25-N29 VanDerWaalsContact CB-OD1 3.28Å; N25-N29 WeakPolarHBondContact CB-OD1 3.16Å; N25-N29 PolarHBondContact O-N 2.96Å; N25-N29 PolarHBondContact O-OD1 3.39Å; N25-N29 VanDerWaalsContact O-OD1 3.07Å; N29-I33 VanDerWaalsContact O-CB 3.29Å; N29-I33 WeakPolarHBondContact O-CB 3.3Å; N29-I33 WeakPolarHBondContact O-CD1 3.44Å; N29-I33 WeakPolarHBondContact O-CG1 3.47Å; N29-I33 PolarHBondContact O-N 3.18Å |
| 30 | Q | 84 | Confident | 80.4 | Confident | 34 Ų | 34 | 77 Ų | 77 | 16% | 0.159 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.5 | -40.1 | 177 | -171.3 | -179.9 | 33.2 | 0 | 0 | 112.2 | H26 K27 T28 N34 Y73 E77 K80 | H26-Q30 WeakPolarHBondContact O-CB 3.43Å; H26-Q30 PolarHBondContact O-N 3Å; K27-Q30 WeakPolarHBondContact O-CB 3.48Å; K27-Q30 PolarHBondContact O-N 3.24Å; K27-Q30 VanDerWaalsContact O-N 3.13Å; T28-Q30 PolarHBondContact O-N 3.43Å; Q30-N34 WeakPolarHBondContact O-CB 3.44Å; Q30-N34 PolarHBondContact O-N 3.49Å; Q30-N34 PolarHBondContact O-ND2 3.35Å; Q30-N34 VanDerWaalsContact O-ND2 3.12Å; Q30-Y73 HydrophobicContact CG-CE2 4.45Å; Q30-E77 PolarHBondContact NE2-OE1 3.15Å; Q30-K80 VanDerWaalsContact NE2-NZ 3.13Å |
| 31 | S | 84.7 | Confident | 80.3 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 172.9 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | K27 T28 N34 Q35 | K27-S31 PolarHBondContact O-N 2.94Å; K27-S31 PolarHBondContact O-OG 2.84Å; T28-S31 WeakPolarHBondContact CA-OG 3.47Å; T28-S31 PolarHBondContact O-N 3.3Å; T28-S31 PolarHBondContact O-OG 3.24Å; S31-N34 PolarHBondContact O-N 3.24Å; S31-Q35 WeakPolarHBondContact O-CG 3.27Å; S31-Q35 PolarHBondContact O-N 2.91Å |
| 32 | E | 86.8 | Confident | 80.5 | Confident | 56 Ų | 56 | 80.5 Ų | 80.5 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 179.2 | -169 | -179.9 | 161.8 | 0 | 0 | 111.3 | Q13 L17 T28 N34 Q35 I36 | Q13-E32 PolarHBondContact NE2-OE1 3.18Å; L17-E32 HydrophobicContact CD1-CB 4.17Å; L17-E32 HydrophobicContact CD1-CG 3.81Å; L17-E32 WeakPolarHBondContact CD2-OE2 3.32Å; T28-E32 WeakPolarHBondContact O-CB 3.5Å; T28-E32 PolarHBondContact O-N 3.38Å; E32-N34 VanDerWaalsContact C-N 3.3Å; E32-N34 PolarHBondContact O-N 3.39Å; E32-Q35 PolarHBondContact O-N 3.36Å; E32-Q35 VanDerWaalsContact O-N 3.15Å; E32-I36 HydrophobicContact CG-CD1 3.96Å; E32-I36 WeakPolarHBondContact O-CB 3.43Å; E32-I36 VanDerWaalsContact O-CG1 3.27Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.38Å |
| 33 | I | 85.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.1 | -43 | 172.6 | -72.2 | 166.9 | 0 | 0 | 0 | 111 | L17 V18 N29 I36 I37 F48 | L17-I33 HydrophobicContact CB-CD1 3.89Å; L17-I33 HydrophobicContact CB-CG1 3.99Å; L17-I33 HydrophobicContact CD1-CG1 3.92Å; V18-I33 HydrophobicContact CG2-CD1 4.02Å; N29-I33 VanDerWaalsContact O-CB 3.29Å; N29-I33 WeakPolarHBondContact O-CB 3.3Å; N29-I33 WeakPolarHBondContact O-CD1 3.44Å; N29-I33 WeakPolarHBondContact O-CG1 3.47Å; N29-I33 PolarHBondContact O-N 3.18Å; I33-I36 PolarHBondContact O-N 3.09Å; I33-I37 HydrophobicContact CG2-CD1 3.67Å; I33-I37 HydrophobicContact CG2-CG1 4.42Å; I33-I37 WeakPolarHBondContact O-CB 3.48Å; I33-I37 VanDerWaalsContact O-CG1 3.3Å; I33-I37 WeakPolarHBondContact O-CG1 3.26Å; I33-I37 PolarHBondContact O-N 2.97Å; I33-F48 HydrophobicContact CD1-CD2 4.31Å; I33-F48 HydrophobicContact CD1-CE2 3.93Å; I33-F48 HydrophobicContact CG2-CD1 4.28Å; I33-F48 HydrophobicContact CG2-CD2 3.72Å; I33-F48 HydrophobicContact CG2-CE1 4.23Å; I33-F48 HydrophobicContact CG2-CE2 3.68Å; I33-F48 HydrophobicContact CG2-CG 4.02Å; I33-F48 HydrophobicContact CG2-CZ 3.93Å |
| 34 | N | 84.6 | Confident | 81.3 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 177.8 | -74 | -24.9 | 0 | 0 | 0 | 113 | Q30 S31 E32 K38 | Q30-N34 WeakPolarHBondContact O-CB 3.44Å; Q30-N34 PolarHBondContact O-N 3.49Å; Q30-N34 PolarHBondContact O-ND2 3.35Å; Q30-N34 VanDerWaalsContact O-ND2 3.12Å; S31-N34 PolarHBondContact O-N 3.24Å; E32-N34 VanDerWaalsContact C-N 3.3Å; E32-N34 PolarHBondContact O-N 3.39Å; N34-K38 VanDerWaalsContact O-CB 3.28Å; N34-K38 WeakPolarHBondContact O-CB 3.34Å; N34-K38 PolarHBondContact O-N 3.33Å |
| 35 | Q | 84.5 | Confident | 81.8 | Confident | 123 Ų | 123 | 65.5 Ų | 65.5 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.2 | -46.2 | 172.6 | -75.7 | 170.6 | -12.7 | 0 | 0 | 111 | S31 E32 I37 K38 L39 | S31-Q35 WeakPolarHBondContact O-CG 3.27Å; S31-Q35 PolarHBondContact O-N 2.91Å; E32-Q35 PolarHBondContact O-N 3.36Å; E32-Q35 VanDerWaalsContact O-N 3.15Å; Q35-I37 VanDerWaalsContact C-N 3.35Å; Q35-I37 PolarHBondContact O-N 2.92Å; Q35-K38 PolarHBondContact O-N 3.42Å; Q35-K38 VanDerWaalsContact O-N 3.1Å; Q35-L39 WeakPolarHBondContact O-CB 3.4Å; Q35-L39 VanDerWaalsContact O-CG 3.3Å; Q35-L39 WeakPolarHBondContact O-CG 3.44Å; Q35-L39 PolarHBondContact O-N 2.9Å |
| 36 | I | 84.8 | Confident | 82 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 176.4 | -73.1 | 169.9 | 0 | 0 | 0 | 111 | V10 Q13 I14 L17 E32 I33 L39 H40 T44 | V10-I36 HydrophobicContact CG1-CG2 3.71Å; Q13-I36 HydrophobicContact CG-CD1 4.15Å; I14-I36 HydrophobicContact CD1-CG2 3.79Å; I14-I36 HydrophobicContact CG1-CG2 4.02Å; L17-I36 HydrophobicContact CD1-CD1 4Å; E32-I36 HydrophobicContact CG-CD1 3.96Å; E32-I36 WeakPolarHBondContact O-CB 3.43Å; E32-I36 VanDerWaalsContact O-CG1 3.27Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.38Å; I33-I36 PolarHBondContact O-N 3.09Å; I36-L39 PolarHBondContact O-N 3.49Å; I36-H40 WeakPolarHBondContact O-CB 3.45Å; I36-H40 PolarHBondContact O-CD2 3.33Å; I36-H40 VanDerWaalsContact O-CD2 3.27Å; I36-H40 PolarHBondContact O-N 3.48Å; I36-H40 VanDerWaalsContact O-N 3.14Å; I36-T44 HydrophobicContact CG2-CG2 3.58Å |
| 37 | I | 84.4 | Confident | 82.3 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.179 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.2 | -29.3 | 175.5 | -68.4 | 169.4 | 0 | 0 | 0 | 112.3 | I33 Q35 T44 E45 F48 | I33-I37 HydrophobicContact CG2-CD1 3.67Å; I33-I37 HydrophobicContact CG2-CG1 4.42Å; I33-I37 WeakPolarHBondContact O-CB 3.48Å; I33-I37 VanDerWaalsContact O-CG1 3.3Å; I33-I37 WeakPolarHBondContact O-CG1 3.26Å; I33-I37 PolarHBondContact O-N 2.97Å; Q35-I37 VanDerWaalsContact C-N 3.35Å; Q35-I37 PolarHBondContact O-N 2.92Å; I37-T44 HydrophobicContact CG1-CG2 4.05Å; I37-E45 HydrophobicContact CG2-CB 4.26Å; I37-F48 HydrophobicContact CD1-CB 3.95Å; I37-F48 HydrophobicContact CD1-CD1 3.52Å; I37-F48 HydrophobicContact CD1-CE1 4.2Å; I37-F48 HydrophobicContact CD1-CG 3.85Å |
| 38 | K | 82.7 | Confident | 82.6 | Confident | 191 Ų | 191 | 59.3 Ų | 59.3 | 83% | 0.83 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -76.9 | -29.4 | 175.5 | -172.2 | 178.4 | 178.7 | -173.9 | 0 | 113.1 | N34 Q35 | N34-K38 VanDerWaalsContact O-CB 3.28Å; N34-K38 WeakPolarHBondContact O-CB 3.34Å; N34-K38 PolarHBondContact O-N 3.33Å; Q35-K38 PolarHBondContact O-N 3.42Å; Q35-K38 VanDerWaalsContact O-N 3.1Å |
| 39 | L | 75 | Confident | 82.6 | Confident | 133 Ų | 133 | 55.4 Ų | 55.4 | 70% | 0.696 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -89.9 | -16.9 | -178.1 | -70.2 | 170.3 | 0 | 0 | 0 | 113.7 | Q35 I36 | Q35-L39 WeakPolarHBondContact O-CB 3.4Å; Q35-L39 VanDerWaalsContact O-CG 3.3Å; Q35-L39 WeakPolarHBondContact O-CG 3.44Å; Q35-L39 PolarHBondContact O-N 2.9Å; I36-L39 PolarHBondContact O-N 3.49Å |
| 40 | H | 67.4 | Low | 82.7 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -130.2 | 162.8 | -172.1 | -56.9 | -47.8 | 0 | 0 | 0 | 113 | I36 T44 | I36-H40 WeakPolarHBondContact O-CB 3.45Å; I36-H40 PolarHBondContact O-CD2 3.33Å; I36-H40 VanDerWaalsContact O-CD2 3.27Å; I36-H40 PolarHBondContact O-N 3.48Å; I36-H40 VanDerWaalsContact O-N 3.14Å; H40-T44 HydrophobicContact CB-CG2 4.22Å; H40-T44 VanDerWaalsContact CB-OG1 3.3Å; H40-T44 WeakPolarHBondContact CB-OG1 3.48Å |
| 41 | T | 72.1 | Confident | 82.7 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | trans | -60.8 | 164.6 | -172.3 | 40.6 | 0 | 0 | 0 | 0 | 114.8 | E43 T44 | T41-E43 PolarHBondContact O-N 2.74Å; T41-T44 WeakPolarHBondContact O-CB 3.38Å; T41-T44 PolarHBondContact O-N 2.95Å; T41-T44 PolarHBondContact O-OG1 3.42Å; T41-T44 VanDerWaalsContact O-OG1 3.12Å | ||
| 42 | L | 76.8 | Confident | 82.6 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 53% | 0.534 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -51.8 | -27.4 | 177.7 | -64.6 | 171 | 0 | 0 | 0 | 114.4 | T44 E45 R46 | L42-T44 PolarHBondContact O-N 3.27Å; L42-E45 PolarHBondContact O-N 3.14Å; L42-E45 VanDerWaalsContact O-N 3.12Å; L42-R46 PolarHBondContact O-N 2.83Å |
| 43 | E | 79.8 | Confident | 82.2 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -41.9 | -45 | 163.2 | -102.2 | 44.6 | -109.7 | 0 | 0 | 114.4 | F11 T41 R46 H47 | F11-E43 HydrophobicContact CE1-CB 4.32Å; F11-E43 HydrophobicContact CZ-CB 4Å; F11-E43 HydrophobicContact CZ-CG 4.29Å; T41-E43 PolarHBondContact O-N 2.74Å; E43-R46 WeakPolarHBondContact O-CB 3.46Å; E43-R46 PolarHBondContact O-N 2.97Å; E43-R46 IonicContact OE1-CZ 3.65Å; E43-R46 IonicContact OE1-NE 2.67Å; E43-R46 PolarHBondContact OE1-NE 2.71Å; E43-R46 IonicContact OE1-NH2 3.81Å; E43-R46 PolarHBondContact OE1-NH2 3.15Å; E43-R46 IonicContact OE2-CZ 3.58Å; E43-R46 IonicContact OE2-NH2 3.69Å; E43-R46 PolarHBondContact OE2-NH2 2.96Å; E43-H47 VanDerWaalsContact O-CB 3.3Å; E43-H47 WeakPolarHBondContact O-CB 3.45Å; E43-H47 PolarHBondContact O-N 3.48Å |
| 44 | T | 84.7 | Confident | 81.8 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | -177.7 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | V10 I14 I36 I37 H40 T41 L42 F48 | V10-T44 HydrophobicContact CG1-CG2 4.06Å; I14-T44 HydrophobicContact CD1-CG2 3.45Å; I14-T44 VanDerWaalsContact CD1-CG2 3.45Å; I36-T44 HydrophobicContact CG2-CG2 3.58Å; I37-T44 HydrophobicContact CG1-CG2 4.05Å; H40-T44 HydrophobicContact CB-CG2 4.22Å; H40-T44 VanDerWaalsContact CB-OG1 3.3Å; H40-T44 WeakPolarHBondContact CB-OG1 3.48Å; T41-T44 WeakPolarHBondContact O-CB 3.38Å; T41-T44 PolarHBondContact O-N 2.95Å; T41-T44 PolarHBondContact O-OG1 3.42Å; T41-T44 VanDerWaalsContact O-OG1 3.12Å; L42-T44 PolarHBondContact O-N 3.27Å; T44-F48 WeakPolarHBondContact O-CB 3.43Å; T44-F48 PolarHBondContact O-N 3.06Å |
| 45 | E | 85.6 | Confident | 81 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.1 | -45.1 | 173.6 | -176.1 | 172.5 | -122.6 | 0 | 0 | 111.7 | I37 L42 H47 F48 V49 K84 N86 L90 | I37-E45 HydrophobicContact CG2-CB 4.26Å; L42-E45 PolarHBondContact O-N 3.14Å; L42-E45 VanDerWaalsContact O-N 3.12Å; E45-H47 VanDerWaalsContact C-N 3.28Å; E45-H47 PolarHBondContact O-N 3.44Å; E45-F48 PolarHBondContact O-N 3.41Å; E45-V49 WeakPolarHBondContact O-CG2 3.43Å; E45-V49 PolarHBondContact O-N 2.98Å; E45-K84 WeakPolarHBondContact OE1-CD 3.29Å; E45-K84 IonicContact OE1-NZ 2.81Å; E45-K84 PolarHBondContact OE1-NZ 2.98Å; E45-N86 PolarHBondContact OE2-ND2 2.96Å; E45-L90 HydrophobicContact CG-CD1 3.92Å; E45-L90 HydrophobicContact CG-CD2 4.03Å |
| 46 | R | 86.9 | Confident | 80.2 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -51.8 | -48.5 | 171.3 | -84.4 | -170.9 | -88.5 | -90.6 | 8.6 | 111.2 | L42 E43 R50 L90 Y93 | L42-R46 PolarHBondContact O-N 2.83Å; E43-R46 WeakPolarHBondContact O-CB 3.46Å; E43-R46 PolarHBondContact O-N 2.97Å; E43-R46 IonicContact OE1-CZ 3.65Å; E43-R46 IonicContact OE1-NE 2.67Å; E43-R46 PolarHBondContact OE1-NE 2.71Å; E43-R46 IonicContact OE1-NH2 3.81Å; E43-R46 PolarHBondContact OE1-NH2 3.15Å; E43-R46 IonicContact OE2-CZ 3.58Å; E43-R46 IonicContact OE2-NH2 3.69Å; E43-R46 PolarHBondContact OE2-NH2 2.96Å; R46-R50 WeakPolarHBondContact O-CB 3.33Å; R46-R50 PolarHBondContact O-N 3.06Å; R46-L90 HydrophobicContact CB-CD2 4.33Å; R46-L90 HydrophobicContact CG-CD2 3.76Å; R46-Y93 HydrophobicContact CB-CD1 4.14Å; R46-Y93 HydrophobicContact CB-CE1 4Å; R46-Y93 HydrophobicContact CG-CD1 4.28Å |
| 47 | H | 86 | Confident | 79.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.06 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | -179.3 | -177.2 | 82.4 | 0 | 0 | 0 | 112.3 | F11 E15 E43 E45 R50 C51 | F11-H47 HydrophobicContact CD1-CB 3.96Å; F11-H47 AromaticContact CD1-CD2 3.91Å; F11-H47 AromaticContact CD1-CG 3.8Å; F11-H47 HydrophobicContact CE1-CB 3.95Å; F11-H47 HydrophobicContact CG-CB 4.41Å; F11-H47 AromaticContact CG-CD2 3.94Å; F11-H47 AromaticContact CG-CG 3.83Å; F11-H47 AromaticContact CG-ND1 3.92Å; F11-H47 HydrophobicContact CZ-CB 4.37Å; F11-H47 PolarHBondContact O-NE2 2.89Å; E15-H47 IonicContact OE1-CE1 3.81Å; E15-H47 PolarHBondContact OE1-CE1 3.24Å; E15-H47 IonicContact OE1-NE2 2.72Å; E43-H47 VanDerWaalsContact O-CB 3.3Å; E43-H47 WeakPolarHBondContact O-CB 3.45Å; E43-H47 PolarHBondContact O-N 3.48Å; E45-H47 VanDerWaalsContact C-N 3.28Å; E45-H47 PolarHBondContact O-N 3.44Å; H47-R50 WeakPolarHBondContact O-CB 3.34Å; H47-R50 PolarHBondContact O-N 2.96Å; H47-C51 PolarHBondContact O-N 3.37Å; H47-C51 PolarHBondContact O-SG 3.29Å |
| 48 | F | 88 | Confident | 78 | Confident | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 174.3 | 168.5 | -119.4 | 0 | 0 | 0 | 112.9 | I14 V18 I33 I37 T44 E45 R50 C51 L52 Y73 E77 | I14-F48 HydrophobicContact CG2-CB 4.03Å; I14-F48 HydrophobicContact CG2-CD2 4.18Å; V18-F48 HydrophobicContact CG2-CD2 3.94Å; V18-F48 HydrophobicContact CG2-CE2 3.95Å; I33-F48 HydrophobicContact CD1-CD2 4.31Å; I33-F48 HydrophobicContact CD1-CE2 3.93Å; I33-F48 HydrophobicContact CG2-CD1 4.28Å; I33-F48 HydrophobicContact CG2-CD2 3.72Å; I33-F48 HydrophobicContact CG2-CE1 4.23Å; I33-F48 HydrophobicContact CG2-CE2 3.68Å; I33-F48 HydrophobicContact CG2-CG 4.02Å; I33-F48 HydrophobicContact CG2-CZ 3.93Å; I37-F48 HydrophobicContact CD1-CB 3.95Å; I37-F48 HydrophobicContact CD1-CD1 3.52Å; I37-F48 HydrophobicContact CD1-CE1 4.2Å; I37-F48 HydrophobicContact CD1-CG 3.85Å; T44-F48 WeakPolarHBondContact O-CB 3.43Å; T44-F48 PolarHBondContact O-N 3.06Å; E45-F48 PolarHBondContact O-N 3.41Å; F48-R50 VanDerWaalsContact C-N 3.33Å; F48-R50 PolarHBondContact O-N 2.89Å; F48-C51 WeakPolarHBondContact O-CB 3.22Å; F48-C51 PolarHBondContact O-N 3.31Å; F48-C51 VanDerWaalsContact O-N 3.12Å; F48-L52 HydrophobicContact CD1-CD1 4.42Å; F48-L52 HydrophobicContact CD2-CG 4.28Å; F48-L52 HydrophobicContact CE1-CD1 3.8Å; F48-L52 HydrophobicContact CE1-CG 4.39Å; F48-L52 HydrophobicContact CE2-CD1 4.06Å; F48-L52 HydrophobicContact CE2-CD2 3.75Å; F48-L52 HydrophobicContact CE2-CG 3.8Å; F48-L52 HydrophobicContact CZ-CD1 3.6Å; F48-L52 HydrophobicContact CZ-CD2 3.95Å; F48-L52 HydrophobicContact CZ-CG 3.89Å; F48-L52 PolarHBondContact O-N 3.34Å; F48-Y73 HydrophobicContact CZ-CE1 4.5Å; F48-E77 HydrophobicContact CZ-CG 4.27Å |
| 49 | V | 85.3 | Confident | 76.6 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | E45 C51 L52 F53 L81 S94 | E45-V49 WeakPolarHBondContact O-CG2 3.43Å; E45-V49 PolarHBondContact O-N 2.98Å; V49-C51 VanDerWaalsContact C-N 3.31Å; V49-C51 PolarHBondContact O-N 3.03Å; V49-L52 WeakPolarHBondContact O-CB 3.37Å; V49-L52 PolarHBondContact O-N 2.75Å; V49-L52 VanDerWaalsContact O-N 3.16Å; V49-F53 HydrophobicContact CG1-CD2 3.76Å; V49-F53 HydrophobicContact CG1-CE2 3.75Å; V49-F53 WeakPolarHBondContact O-CD2 3.43Å; V49-F53 PolarHBondContact O-N 2.89Å; V49-L81 HydrophobicContact CG1-CD2 3.62Å; V49-L81 HydrophobicContact CG2-CD1 4.1Å; V49-L81 HydrophobicContact CG2-CD2 4.33Å; V49-S94 WeakPolarHBondContact CG1-OG 3.46Å |
| 50 | R | 86.2 | Confident | 75.4 | Confident | 53 Ų | 53 | 39 Ų | 39 | 20% | 0.2 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.6 | -42.7 | 170.8 | -172.9 | -166.6 | -177 | -172.2 | 4.8 | 112.4 | R46 H47 F48 S54 S94 N97 P98 L99 | R46-R50 WeakPolarHBondContact O-CB 3.33Å; R46-R50 PolarHBondContact O-N 3.06Å; H47-R50 WeakPolarHBondContact O-CB 3.34Å; H47-R50 PolarHBondContact O-N 2.96Å; F48-R50 VanDerWaalsContact C-N 3.33Å; F48-R50 PolarHBondContact O-N 2.89Å; R50-S54 VanDerWaalsContact O-CB 3.3Å; R50-S54 WeakPolarHBondContact O-CB 2.91Å; R50-S54 PolarHBondContact O-N 2.97Å; R50-S54 PolarHBondContact O-OG 3.04Å; R50-S94 PolarHBondContact N-OG 2.78Å; R50-N97 WeakPolarHBondContact CD-O 3.26Å; R50-N97 WeakPolarHBondContact CG-O 3.26Å; R50-N97 PolarHBondContact NE-O 3.47Å; R50-N97 PolarHBondContact NH2-O 2.74Å; R50-P98 PolarHBondContact NH2-O 2.72Å; R50-L99 HydrophobicContact CG-CG 4.37Å |
| 51 | C | 84.6 | Confident | 74.6 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | V18 H47 F48 V49 S54 S55 | V18-C51 HydrophobicContact CB-CB 4.28Å; V18-C51 HydrophobicContact CG1-CB 4.15Å; V18-C51 HydrophobicContact CG2-CB 4.11Å; H47-C51 PolarHBondContact O-N 3.37Å; H47-C51 PolarHBondContact O-SG 3.29Å; F48-C51 WeakPolarHBondContact O-CB 3.22Å; F48-C51 PolarHBondContact O-N 3.31Å; F48-C51 VanDerWaalsContact O-N 3.12Å; V49-C51 VanDerWaalsContact C-N 3.31Å; V49-C51 PolarHBondContact O-N 3.03Å; C51-S54 PolarHBondContact O-N 3.45Å; C51-S55 VanDerWaalsContact O-CB 3.32Å; C51-S55 WeakPolarHBondContact O-CB 3.43Å; C51-S55 PolarHBondContact O-N 3.09Å; C51-S55 PolarHBondContact O-OG 3.05Å |
| 52 | L | 83.1 | Confident | 73.2 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -55.4 | 176.6 | -69.3 | -179.3 | 0 | 0 | 0 | 111.5 | F48 V49 S54 S55 Y73 F74 E77 | F48-L52 HydrophobicContact CD1-CD1 4.42Å; F48-L52 HydrophobicContact CD2-CG 4.28Å; F48-L52 HydrophobicContact CE1-CD1 3.8Å; F48-L52 HydrophobicContact CE1-CG 4.39Å; F48-L52 HydrophobicContact CE2-CD1 4.06Å; F48-L52 HydrophobicContact CE2-CD2 3.75Å; F48-L52 HydrophobicContact CE2-CG 3.8Å; F48-L52 HydrophobicContact CZ-CD1 3.6Å; F48-L52 HydrophobicContact CZ-CD2 3.95Å; F48-L52 HydrophobicContact CZ-CG 3.89Å; F48-L52 PolarHBondContact O-N 3.34Å; V49-L52 WeakPolarHBondContact O-CB 3.37Å; V49-L52 PolarHBondContact O-N 2.75Å; V49-L52 VanDerWaalsContact O-N 3.16Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 3.47Å; L52-S55 PolarHBondContact O-N 2.92Å; L52-S55 VanDerWaalsContact O-N 3.13Å; L52-S55 PolarHBondContact O-OG 2.83Å; L52-Y73 HydrophobicContact CD2-CD1 3.98Å; L52-Y73 HydrophobicContact CD2-CE1 3.7Å; L52-F74 HydrophobicContact CB-CD2 4.32Å; L52-E77 HydrophobicContact CD1-CB 3.75Å; L52-E77 HydrophobicContact CD1-CG 4.29Å |
| 53 | F | 77.9 | Confident | 72.2 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -34.3 | 179.8 | -84.9 | -87.5 | 0 | 0 | 0 | 112.8 | V49 S55 F74 L78 L81 I95 I116 | V49-F53 HydrophobicContact CG1-CD2 3.76Å; V49-F53 HydrophobicContact CG1-CE2 3.75Å; V49-F53 WeakPolarHBondContact O-CD2 3.43Å; V49-F53 PolarHBondContact O-N 2.89Å; F53-S55 VanDerWaalsContact C-N 3.35Å; F53-F74 AromaticContact CD1-CE2 3.86Å; F53-F74 HydrophobicContact CD1-CE2 3.86Å; F53-F74 AromaticContact CD1-CZ 3.93Å; F53-F74 HydrophobicContact CD1-CZ 3.93Å; F53-F74 HydrophobicContact CD2-CE2 4.11Å; F53-F74 AromaticContact CE1-CE2 3.9Å; F53-F74 HydrophobicContact CE1-CE2 3.9Å; F53-F74 AromaticContact CE1-CZ 3.65Å; F53-F74 HydrophobicContact CE1-CZ 3.65Å; F53-F74 HydrophobicContact CE2-CE2 4.14Å; F53-F74 AromaticContact CG-CE2 3.98Å; F53-F74 HydrophobicContact CG-CE2 3.98Å; F53-F74 HydrophobicContact CG-CZ 4.5Å; F53-F74 HydrophobicContact CZ-CE2 4.04Å; F53-F74 HydrophobicContact CZ-CZ 4Å; F53-L78 HydrophobicContact CZ-CD1 4.25Å; F53-L81 HydrophobicContact CE2-CD2 4.33Å; F53-I95 HydrophobicContact CD1-CD1 4.16Å; F53-I95 HydrophobicContact CD1-CG1 3.84Å; F53-I95 HydrophobicContact CE1-CD1 3.74Å; F53-I95 HydrophobicContact CE1-CG1 3.94Å; F53-I95 HydrophobicContact CG-CG1 4.43Å; F53-I95 HydrophobicContact CZ-CD1 4.29Å; F53-I116 HydrophobicContact CE1-CD1 4.41Å |
| 54 | S | 76.5 | Confident | 71.1 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.4 | -20.9 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 113.8 | R50 C51 L52 L99 | R50-S54 VanDerWaalsContact O-CB 3.3Å; R50-S54 WeakPolarHBondContact O-CB 2.91Å; R50-S54 PolarHBondContact O-N 2.97Å; R50-S54 PolarHBondContact O-OG 3.04Å; C51-S54 PolarHBondContact O-N 3.45Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 3.47Å; S54-L99 PolarHBondContact OG-N 2.98Å |
| 55 | S | 69.1 | Low | 69.9 | Low | 17 Ų | 17 | 51.9 Ų | 51.9 | 12% | 0.119 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -81.9 | -12.3 | -176 | 71.5 | 0 | 0 | 0 | 0 | 114.8 | C51 L52 F53 | C51-S55 VanDerWaalsContact O-CB 3.32Å; C51-S55 WeakPolarHBondContact O-CB 3.43Å; C51-S55 PolarHBondContact O-N 3.09Å; C51-S55 PolarHBondContact O-OG 3.05Å; L52-S55 PolarHBondContact O-N 2.92Å; L52-S55 VanDerWaalsContact O-N 3.13Å; L52-S55 PolarHBondContact O-OG 2.83Å; F53-S55 VanDerWaalsContact C-N 3.35Å |
| 56 | V | 68.4 | Low | 68.7 | Low | 12 Ų | 12 | 58.7 Ų | 58.7 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -107.3 | 111.9 | -173.2 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | C58 F74 I119 | V56-C58 PolarHBondContact O-N 3.11Å; V56-F74 HydrophobicContact CG2-CB 3.87Å; V56-F74 HydrophobicContact CG2-CD2 4.21Å; V56-F74 HydrophobicContact CG2-CG 3.98Å; V56-I119 HydrophobicContact CG1-CD1 4.4Å; V56-I119 HydrophobicContact CG1-CG2 3.83Å |
| 57 | N | 63.1 | Low | 67.6 | Low | 60 Ų | 60 | 57.2 Ų | 57.2 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | trans | -74.7 | 90.2 | 175.9 | -75.5 | -46.6 | 0 | 0 | 0 | 111.3 | L59 H102 | N57-L59 PolarHBondContact O-N 3.22Å; N57-H102 PolarHBondContact OD1-ND1 3.15Å | ||
| 58 | C | 58.6 | Low | 66.8 | Low | 30 Ų | 30 | 60 Ų | 60 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -4 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 116 | V56 Q115 I119 | V56-C58 PolarHBondContact O-N 3.11Å; C58-Q115 HydrophobicContact CB-CB 4.16Å; C58-Q115 WeakPolarHBondContact O-CG 3.43Å; C58-Q115 PolarHBondContact O-NE2 3.05Å; C58-I119 HydrophobicContact CB-CD1 4.24Å |
| 59 | L | 53 | Low | 65.9 | Low | 77 Ų | 77 | 64.9 Ų | 64.9 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -14.2 | -168.1 | -72.2 | 163.8 | 0 | 0 | 0 | 115.5 | N57 N104 | N57-L59 PolarHBondContact O-N 3.22Å; L59-N104 HydrophobicContact CD1-CB 3.85Å |
| 60 | N | 51.3 | Low | 65.2 | Low | 101 Ų | 101 | 66.1 Ų | 66.1 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | trans | -106.4 | 119.9 | -171.5 | -74 | -2 | 0 | 0 | 0 | 113 | S62 | N60-S62 VanDerWaalsContact C-N 3.26Å; N60-S62 PolarHBondContact O-N 2.97Å | ||
| 61 | E | 50.6 | Low | 64.4 | Low | 187 Ų | 187 | 64.5 Ų | 64.5 | 87% | 0.874 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -71.5 | -22.6 | 169.9 | -63 | 178.1 | 163.1 | 0 | 0 | 112.3 | K63 | E61-K63 PolarHBondContact O-N 3.19Š|
| 62 | S | 42.6 | Very low | 63.9 | Low | 92 Ų | 92 | 69.5 Ų | 69.5 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -78.4 | 73.5 | 178.6 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | N60 S64 | N60-S62 VanDerWaalsContact C-N 3.26Å; N60-S62 PolarHBondContact O-N 2.97Å; S62-S64 PolarHBondContact O-N 3.01Å; S62-S64 VanDerWaalsContact O-N 3.07Å |
| 63 | K | 54.4 | Low | 63.6 | Low | 162 Ų | 162 | 69.6 Ų | 69.6 | 70% | 0.704 | 36% | 0.359 | S | S | * | . | trans | -56.9 | 107.4 | 179.4 | -59.8 | 178 | -175.3 | -179.3 | 0 | 112.2 | E61 I68 | E61-K63 PolarHBondContact O-N 3.19Å; K63-I68 HydrophobicContact CB-CD1 4.12Å; K63-I68 HydrophobicContact CB-CG1 3.99Å; K63-I68 HydrophobicContact CD-CG1 4.47Å | ||
| 64 | S | 57 | Low | 63.7 | Low | 44 Ų | 44 | 69 Ų | 69 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | trans | -74.6 | 158.2 | 165.4 | 88.6 | 0 | 0 | 0 | 0 | 109.9 | S62 K66 D67 I68 | S62-S64 PolarHBondContact O-N 3.01Å; S62-S64 VanDerWaalsContact O-N 3.07Å; S64-K66 PolarHBondContact O-N 3.22Å; S64-K66 VanDerWaalsContact O-N 3.09Å; S64-K66 PolarHBondContact OG-N 2.91Å; S64-D67 WeakPolarHBondContact CA-OD2 3.35Å; S64-D67 WeakPolarHBondContact CB-OD2 3.18Å; S64-D67 PolarHBondContact N-OD2 3.49Å; S64-D67 PolarHBondContact O-N 2.91Å; S64-D67 VanDerWaalsContact OG-CG 3.26Å; S64-D67 PolarHBondContact OG-N 2.94Å; S64-D67 PolarHBondContact OG-OD2 3.2Å; S64-I68 PolarHBondContact O-N 2.94Å | ||
| 65 | P | 59.1 | Low | 63.8 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.2 | -12.8 | 178.6 | 26.5 | -35.1 | 0 | 0 | 0 | 113.7 | Y69 | P65-Y69 WeakPolarHBondContact O-CD2 3.48Å |
| 66 | K | 61 | Low | 64.3 | Low | 160 Ų | 160 | 72.9 Ų | 72.9 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -79 | -48.7 | 171.7 | -67.7 | -175.6 | 177.9 | -177.5 | 0 | 111.3 | S64 I68 Y69 Q70 | S64-K66 PolarHBondContact O-N 3.22Å; S64-K66 VanDerWaalsContact O-N 3.09Å; S64-K66 PolarHBondContact OG-N 2.91Å; K66-I68 PolarHBondContact O-N 2.83Å; K66-Y69 PolarHBondContact O-N 3.4Å; K66-Y69 VanDerWaalsContact O-N 3.08Å; K66-Q70 PolarHBondContact O-N 3.44Å; K66-Q70 VanDerWaalsContact O-N 3.15Å |
| 67 | D | 64.9 | Low | 64.9 | Low | 46 Ų | 46 | 72.9 Ų | 72.9 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.1 | -35.9 | -177.3 | -49.6 | -59.1 | 0 | 0 | 0 | 111.3 | S64 Y69 Q70 A71 | S64-D67 WeakPolarHBondContact CA-OD2 3.35Å; S64-D67 WeakPolarHBondContact CB-OD2 3.18Å; S64-D67 PolarHBondContact N-OD2 3.49Å; S64-D67 PolarHBondContact O-N 2.91Å; S64-D67 VanDerWaalsContact OG-CG 3.26Å; S64-D67 PolarHBondContact OG-N 2.94Å; S64-D67 PolarHBondContact OG-OD2 3.2Å; D67-Y69 PolarHBondContact O-N 3.28Å; D67-Q70 PolarHBondContact O-N 3.46Å; D67-A71 VanDerWaalsContact O-CB 3.26Å; D67-A71 WeakPolarHBondContact O-CB 3.34Å; D67-A71 PolarHBondContact O-N 2.89Å |
| 68 | I | 67.5 | Low | 65.8 | Low | 70 Ų | 70 | 70.1 Ų | 70.1 | 36% | 0.359 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 178.2 | -62.9 | 171.5 | 0 | 0 | 0 | 111.8 | K63 S64 K66 Q72 | K63-I68 HydrophobicContact CB-CD1 4.12Å; K63-I68 HydrophobicContact CB-CG1 3.99Å; K63-I68 HydrophobicContact CD-CG1 4.47Å; S64-I68 PolarHBondContact O-N 2.94Å; K66-I68 PolarHBondContact O-N 2.83Å; I68-Q72 WeakPolarHBondContact O-CB 3.44Å; I68-Q72 WeakPolarHBondContact O-CG 3.25Å; I68-Q72 PolarHBondContact O-N 2.96Å |
| 69 | Y | 70.1 | Confident | 66.8 | Low | 110 Ų | 110 | 71.3 Ų | 71.3 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74 | -31.3 | 178.5 | -70.5 | -64.2 | 0 | 0 | 0 | 112.4 | K23 P65 K66 D67 Y73 | K23-Y69 HydrophobicContact CD-CE1 4.42Å; P65-Y69 WeakPolarHBondContact O-CD2 3.48Å; K66-Y69 PolarHBondContact O-N 3.4Å; K66-Y69 VanDerWaalsContact O-N 3.08Å; D67-Y69 PolarHBondContact O-N 3.28Å; Y69-Y73 WeakPolarHBondContact O-CB 3.25Å; Y69-Y73 PolarHBondContact O-N 3.23Å; Y69-Y73 VanDerWaalsContact O-N 3.12Å |
| 70 | Q | 70.6 | Confident | 68.2 | Low | 31 Ų | 31 | 71.7 Ų | 71.7 | 15% | 0.145 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 173.8 | -72.9 | 170.3 | -54.2 | 0 | 0 | 111.1 | K66 D67 Y73 F74 | K66-Q70 PolarHBondContact O-N 3.44Å; K66-Q70 VanDerWaalsContact O-N 3.15Å; D67-Q70 PolarHBondContact O-N 3.46Å; Q70-Y73 PolarHBondContact O-N 3.48Å; Q70-F74 WeakPolarHBondContact O-CB 3.31Å; Q70-F74 PolarHBondContact O-N 3.23Å |
| 71 | A | 70.1 | Confident | 69.8 | Low | 18 Ų | 18 | 67.2 Ų | 67.2 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | D67 Y73 F74 S75 I119 | D67-A71 VanDerWaalsContact O-CB 3.26Å; D67-A71 WeakPolarHBondContact O-CB 3.34Å; D67-A71 PolarHBondContact O-N 2.89Å; A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 2.93Å; A71-F74 PolarHBondContact O-N 3Å; A71-S75 PolarHBondContact O-N 2.65Å; A71-I119 HydrophobicContact CB-CG2 3.63Å |
| 72 | Q | 72.8 | Confident | 71.2 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 175.3 | -78.3 | -178.5 | -17 | 0 | 0 | 112.3 | I68 Q76 | I68-Q72 WeakPolarHBondContact O-CB 3.44Å; I68-Q72 WeakPolarHBondContact O-CG 3.25Å; I68-Q72 PolarHBondContact O-N 2.96Å; Q72-Q76 WeakPolarHBondContact O-CG 3.39Å; Q72-Q76 PolarHBondContact O-N 3.05Å |
| 73 | Y | 76.4 | Confident | 72.9 | Confident | 8 Ų | 8 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.2 | -39.8 | 176.5 | -176.3 | -125.9 | 0 | 0 | 0 | 113 | R21 Q30 F48 L52 Y69 Q70 A71 S75 Q76 E77 | R21-Y73 VanDerWaalsContact CZ-CD1 3.48Å; Q30-Y73 HydrophobicContact CG-CE2 4.45Å; F48-Y73 HydrophobicContact CZ-CE1 4.5Å; L52-Y73 HydrophobicContact CD2-CD1 3.98Å; L52-Y73 HydrophobicContact CD2-CE1 3.7Å; Y69-Y73 WeakPolarHBondContact O-CB 3.25Å; Y69-Y73 PolarHBondContact O-N 3.23Å; Y69-Y73 VanDerWaalsContact O-N 3.12Å; Q70-Y73 PolarHBondContact O-N 3.48Å; A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 2.93Å; Y73-S75 VanDerWaalsContact C-N 3.3Å; Y73-S75 PolarHBondContact O-N 2.98Å; Y73-Q76 PolarHBondContact O-N 2.67Å; Y73-Q76 VanDerWaalsContact O-N 3.09Å; Y73-E77 HydrophobicContact CD2-CG 4.01Å; Y73-E77 HydrophobicContact CE1-CG 3.95Å; Y73-E77 HydrophobicContact CE2-CG 3.31Å; Y73-E77 WeakPolarHBondContact CE2-OE1 3.32Å; Y73-E77 PolarHBondContact O-N 2.73Å; Y73-E77 WeakPolarHBondContact OH-CG 3.49Å; Y73-E77 PolarHBondContact OH-OE1 3.07Å |
| 74 | F | 81.6 | Confident | 74.2 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 174 | 176.4 | -102.6 | 0 | 0 | 0 | 111.1 | L52 F53 V56 Q70 A71 L78 I116 | L52-F74 HydrophobicContact CB-CD2 4.32Å; F53-F74 AromaticContact CD1-CE2 3.86Å; F53-F74 HydrophobicContact CD1-CE2 3.86Å; F53-F74 AromaticContact CD1-CZ 3.93Å; F53-F74 HydrophobicContact CD1-CZ 3.93Å; F53-F74 HydrophobicContact CD2-CE2 4.11Å; F53-F74 AromaticContact CE1-CE2 3.9Å; F53-F74 HydrophobicContact CE1-CE2 3.9Å; F53-F74 AromaticContact CE1-CZ 3.65Å; F53-F74 HydrophobicContact CE1-CZ 3.65Å; F53-F74 HydrophobicContact CE2-CE2 4.14Å; F53-F74 AromaticContact CG-CE2 3.98Å; F53-F74 HydrophobicContact CG-CE2 3.98Å; F53-F74 HydrophobicContact CG-CZ 4.5Å; F53-F74 HydrophobicContact CZ-CE2 4.04Å; F53-F74 HydrophobicContact CZ-CZ 4Å; V56-F74 HydrophobicContact CG2-CB 3.87Å; V56-F74 HydrophobicContact CG2-CD2 4.21Å; V56-F74 HydrophobicContact CG2-CG 3.98Å; Q70-F74 WeakPolarHBondContact O-CB 3.31Å; Q70-F74 PolarHBondContact O-N 3.23Å; A71-F74 PolarHBondContact O-N 3Å; F74-L78 HydrophobicContact CE1-CD2 3.88Å; F74-L78 HydrophobicContact CZ-CD2 3.99Å; F74-L78 WeakPolarHBondContact O-CB 3.36Å; F74-L78 PolarHBondContact O-N 3.46Å; F74-I116 HydrophobicContact CE1-CG2 4.32Å |
| 75 | S | 77.4 | Confident | 75.3 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.9 | -51.8 | 169.4 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | A71 Y73 E77 L78 N79 S120 | A71-S75 PolarHBondContact O-N 2.65Å; Y73-S75 VanDerWaalsContact C-N 3.3Å; Y73-S75 PolarHBondContact O-N 2.98Å; S75-E77 PolarHBondContact O-N 3.48Å; S75-L78 PolarHBondContact O-N 2.77Å; S75-N79 WeakPolarHBondContact O-CB 3.47Å; S75-N79 VanDerWaalsContact O-CG 3.27Å; S75-N79 PolarHBondContact O-N 3.36Å; S75-N79 PolarHBondContact O-ND2 2.95Å; S75-N79 PolarHBondContact OG-ND2 2.94Å; S75-S120 WeakPolarHBondContact CB-O 3.38Å; S75-S120 PolarHBondContact OG-O 2.91Å |
| 76 | Q | 80 | Confident | 76.5 | Confident | 93 Ų | 93 | 55.1 Ų | 55.1 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | -177.8 | -73.4 | 176.1 | -4.7 | 0 | 0 | 113.8 | Q72 Y73 K80 | Q72-Q76 WeakPolarHBondContact O-CG 3.39Å; Q72-Q76 PolarHBondContact O-N 3.05Å; Y73-Q76 PolarHBondContact O-N 2.67Å; Y73-Q76 VanDerWaalsContact O-N 3.09Å; Q76-K80 WeakPolarHBondContact O-CG 3.36Å |
| 77 | E | 80.1 | Confident | 77.7 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -82.6 | -31.3 | 178.3 | -61.8 | -60.6 | 156.5 | 0 | 0 | 112.7 | Q30 F48 L52 Y73 S75 N79 K80 L81 | Q30-E77 PolarHBondContact NE2-OE1 3.15Å; F48-E77 HydrophobicContact CZ-CG 4.27Å; L52-E77 HydrophobicContact CD1-CB 3.75Å; L52-E77 HydrophobicContact CD1-CG 4.29Å; Y73-E77 HydrophobicContact CD2-CG 4.01Å; Y73-E77 HydrophobicContact CE1-CG 3.95Å; Y73-E77 HydrophobicContact CE2-CG 3.31Å; Y73-E77 WeakPolarHBondContact CE2-OE1 3.32Å; Y73-E77 PolarHBondContact O-N 2.73Å; Y73-E77 WeakPolarHBondContact OH-CG 3.49Å; Y73-E77 PolarHBondContact OH-OE1 3.07Å; S75-E77 PolarHBondContact O-N 3.48Å; E77-N79 VanDerWaalsContact C-N 3.31Å; E77-N79 PolarHBondContact O-N 2.85Å; E77-K80 VanDerWaalsContact CD-NZ 3.28Å; E77-K80 CarbonylContact O-C 3.54Å; E77-K80 PolarHBondContact O-N 3.21Å; E77-K80 VanDerWaalsContact O-N 3.14Å; E77-K80 IonicContact OE1-NZ 3.85Å; E77-K80 PolarHBondContact OE1-NZ 3.06Å; E77-K80 WeakPolarHBondContact OE2-CD 3.4Å; E77-K80 IonicContact OE2-NZ 2.8Å; E77-K80 PolarHBondContact OE2-NZ 2.88Å; E77-K80 VanDerWaalsContact OE2-NZ 3.13Å; E77-L81 VanDerWaalsContact O-CB 3.29Å; E77-L81 WeakPolarHBondContact O-CB 3.48Å; E77-L81 PolarHBondContact O-N 2.79Å |
| 78 | L | 82.7 | Confident | 78.7 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 172.6 | -175.7 | 58.4 | 0 | 0 | 0 | 110.8 | F53 F74 S75 K80 L81 L82 I116 L122 | F53-L78 HydrophobicContact CZ-CD1 4.25Å; F74-L78 HydrophobicContact CE1-CD2 3.88Å; F74-L78 HydrophobicContact CZ-CD2 3.99Å; F74-L78 WeakPolarHBondContact O-CB 3.36Å; F74-L78 PolarHBondContact O-N 3.46Å; S75-L78 PolarHBondContact O-N 2.77Å; L78-K80 VanDerWaalsContact C-N 3.26Å; L78-K80 PolarHBondContact O-N 3.12Å; L78-L81 HydrophobicContact CD1-CD2 4.19Å; L78-L81 PolarHBondContact O-N 3.33Å; L78-L81 VanDerWaalsContact O-N 3.16Å; L78-L82 HydrophobicContact CD1-CD1 4.46Å; L78-L82 HydrophobicContact CD1-CG 4.27Å; L78-L82 HydrophobicContact CG-CD1 4.26Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 2.88Å; L78-I116 HydrophobicContact CD2-CG2 4.41Å; L78-L122 HydrophobicContact CD2-CD1 4.08Å; L78-L122 HydrophobicContact CD2-CD2 4.05Å; L78-L122 HydrophobicContact CD2-CG 4.46Å; L78-L122 HydrophobicContact CG-CD2 4.3Å |
| 79 | N | 80.6 | Confident | 79.6 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -32.3 | 173.2 | -77.7 | -44.9 | 0 | 0 | 0 | 113.6 | S75 E77 Q126 | S75-N79 WeakPolarHBondContact O-CB 3.47Å; S75-N79 VanDerWaalsContact O-CG 3.27Å; S75-N79 PolarHBondContact O-N 3.36Å; S75-N79 PolarHBondContact O-ND2 2.95Å; S75-N79 PolarHBondContact OG-ND2 2.94Å; E77-N79 VanDerWaalsContact C-N 3.31Å; E77-N79 PolarHBondContact O-N 2.85Å; N79-Q126 PolarHBondContact OD1-NE2 3.32Å; N79-Q126 PolarHBondContact OD1-OE1 3.17Å |
| 80 | K | 82.1 | Confident | 80.3 | Confident | 85 Ų | 85 | 42.5 Ų | 42.5 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -86.8 | -25.6 | 174.1 | -63.3 | 163.9 | -179.6 | 179 | 0 | 113.6 | Q30 Q76 E77 L78 S83 | Q30-K80 VanDerWaalsContact NE2-NZ 3.13Å; Q76-K80 WeakPolarHBondContact O-CG 3.36Å; E77-K80 VanDerWaalsContact CD-NZ 3.28Å; E77-K80 CarbonylContact O-C 3.54Å; E77-K80 PolarHBondContact O-N 3.21Å; E77-K80 VanDerWaalsContact O-N 3.14Å; E77-K80 IonicContact OE1-NZ 3.85Å; E77-K80 PolarHBondContact OE1-NZ 3.06Å; E77-K80 WeakPolarHBondContact OE2-CD 3.4Å; E77-K80 IonicContact OE2-NZ 2.8Å; E77-K80 PolarHBondContact OE2-NZ 2.88Å; E77-K80 VanDerWaalsContact OE2-NZ 3.13Å; L78-K80 VanDerWaalsContact C-N 3.26Å; L78-K80 PolarHBondContact O-N 3.12Å; K80-S83 PolarHBondContact O-OG 3.5Å; K80-S83 VanDerWaalsContact O-OG 3.06Å |
| 81 | L | 83.8 | Confident | 81 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -45.5 | 176.9 | 177.3 | 60.5 | 0 | 0 | 0 | 109.3 | V49 F53 E77 L78 S83 K84 F87 L90 V91 | V49-L81 HydrophobicContact CG1-CD2 3.62Å; V49-L81 HydrophobicContact CG2-CD1 4.1Å; V49-L81 HydrophobicContact CG2-CD2 4.33Å; F53-L81 HydrophobicContact CE2-CD2 4.33Å; E77-L81 VanDerWaalsContact O-CB 3.29Å; E77-L81 WeakPolarHBondContact O-CB 3.48Å; E77-L81 PolarHBondContact O-N 2.79Å; L78-L81 HydrophobicContact CD1-CD2 4.19Å; L78-L81 PolarHBondContact O-N 3.33Å; L78-L81 VanDerWaalsContact O-N 3.16Å; L81-S83 PolarHBondContact O-N 3.41Å; L81-K84 HydrophobicContact CD1-CD 4.48Å; L81-K84 PolarHBondContact O-N 3.4Å; L81-F87 HydrophobicContact CD1-CB 4.48Å; L81-F87 WeakPolarHBondContact O-CB 3.42Å; L81-L90 HydrophobicContact CD1-CB 3.93Å; L81-L90 HydrophobicContact CD1-CD1 3.46Å; L81-L90 VanDerWaalsContact CD1-CD1 3.46Å; L81-L90 HydrophobicContact CD1-CG 4.35Å; L81-V91 HydrophobicContact CD2-CG2 3.77Å; L81-V91 HydrophobicContact CG-CG2 4.38Å |
| 82 | L | 80.6 | Confident | 81.7 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -6.9 | 177.8 | -67.3 | 172.5 | 0 | 0 | 0 | 114.3 | L78 F87 L122 Q126 V129 L212 | L78-L82 HydrophobicContact CD1-CD1 4.46Å; L78-L82 HydrophobicContact CD1-CG 4.27Å; L78-L82 HydrophobicContact CG-CD1 4.26Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 2.88Å; L82-F87 HydrophobicContact CD2-CD2 3.9Å; L82-F87 HydrophobicContact CD2-CE2 4.14Å; L82-L122 HydrophobicContact CD1-CD2 4.19Å; L82-Q126 HydrophobicContact CD1-CB 3.92Å; L82-Q126 HydrophobicContact CD1-CG 4.25Å; L82-V129 HydrophobicContact CD2-CG1 4.07Å; L82-L212 VanDerWaalsContact O-CD1 3.31Å; L82-L212 WeakPolarHBondContact O-CD1 3.47Å; L82-L212 WeakPolarHBondContact O-CD2 3.27Å |
| 83 | S | 78.4 | Confident | 82.3 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 57% | 0.566 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 4.3 | 173.6 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | K80 L81 | K80-S83 PolarHBondContact O-OG 3.5Å; K80-S83 VanDerWaalsContact O-OG 3.06Å; L81-S83 PolarHBondContact O-N 3.41Å |
| 84 | K | 81.4 | Confident | 82.6 | Confident | 72 Ų | 72 | 39.1 Ų | 39.1 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -89.1 | 153.6 | 173.8 | -63.6 | 178.5 | -178.6 | -179.2 | 0 | 111.3 | E45 L81 N86 F87 | E45-K84 WeakPolarHBondContact OE1-CD 3.29Å; E45-K84 IonicContact OE1-NZ 2.81Å; E45-K84 PolarHBondContact OE1-NZ 2.98Å; L81-K84 HydrophobicContact CD1-CD 4.48Å; L81-K84 PolarHBondContact O-N 3.4Å; K84-N86 WeakPolarHBondContact CB-OD1 3.49Å; K84-N86 PolarHBondContact O-N 3.48Å; K84-F87 WeakPolarHBondContact O-CD1 3.32Å |
| 85 | S | 79.9 | Confident | 82.5 | Confident | 131 Ų | 131 | 40.1 Ų | 40.1 | 92% | 0.916 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.4 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 114 | ||
| 86 | N | 84.1 | Confident | 82.7 | Confident | 42 Ų | 42 | 42 Ų | 42 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 10.8 | -177.7 | 64.9 | -10.9 | 0 | 0 | 0 | 114.1 | E45 K84 V88 S89 L90 | E45-N86 PolarHBondContact OE2-ND2 2.96Å; K84-N86 WeakPolarHBondContact CB-OD1 3.49Å; K84-N86 PolarHBondContact O-N 3.48Å; N86-V88 VanDerWaalsContact C-N 3.33Å; N86-V88 PolarHBondContact O-N 3.38Å; N86-S89 PolarHBondContact O-N 3.18Å; N86-L90 PolarHBondContact O-N 3.24Å; N86-L90 WeakPolarHBondContact OD1-CD1 3.28Å |
| 87 | F | 86.1 | Confident | 82.6 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -37.5 | -168.7 | 81.1 | -78.1 | 0 | 0 | 0 | 114.1 | L81 L82 K84 S89 L90 V91 V129 L212 F215 | L81-F87 HydrophobicContact CD1-CB 4.48Å; L81-F87 WeakPolarHBondContact O-CB 3.42Å; L82-F87 HydrophobicContact CD2-CD2 3.9Å; L82-F87 HydrophobicContact CD2-CE2 4.14Å; K84-F87 WeakPolarHBondContact O-CD1 3.32Å; F87-S89 PolarHBondContact O-N 3.16Å; F87-L90 PolarHBondContact O-N 2.98Å; F87-V91 WeakPolarHBondContact O-CG2 3.32Å; F87-V91 PolarHBondContact O-N 2.95Å; F87-V129 HydrophobicContact CE2-CG1 3.55Å; F87-V129 HydrophobicContact CZ-CG1 3.74Å; F87-L212 HydrophobicContact CE1-CD2 4.28Å; F87-L212 HydrophobicContact CZ-CD2 4.33Å; F87-F215 HydrophobicContact CE1-CD2 4.34Å; F87-F215 HydrophobicContact CE1-CE2 4.24Å; F87-F215 HydrophobicContact CE1-CZ 4.41Å; F87-F215 HydrophobicContact CZ-CD1 4.05Å; F87-F215 HydrophobicContact CZ-CD2 4.3Å; F87-F215 AromaticContact CZ-CE1 3.74Å; F87-F215 HydrophobicContact CZ-CE1 3.74Å; F87-F215 HydrophobicContact CZ-CE2 4Å; F87-F215 HydrophobicContact CZ-CG 4.33Å; F87-F215 AromaticContact CZ-CZ 3.72Å; F87-F215 HydrophobicContact CZ-CZ 3.72Å |
| 88 | V | 85.9 | Confident | 82.3 | Confident | 25 Ų | 25 | 42.5 Ų | 42.5 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -52 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | N86 L90 V91 C92 H136 F215 | N86-V88 VanDerWaalsContact C-N 3.33Å; N86-V88 PolarHBondContact O-N 3.38Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.29Å; V88-V91 PolarHBondContact O-N 3.34Å; V88-C92 PolarHBondContact O-N 3.33Å; V88-C92 PolarHBondContact O-SG 2.93Å; V88-H136 HydrophobicContact CG1-CB 3.91Å; V88-F215 HydrophobicContact CG2-CE2 3.75Å; V88-F215 HydrophobicContact CG2-CZ 3.81Å |
| 89 | S | 86.3 | Confident | 81.8 | Confident | 83 Ų | 83 | 43.3 Ų | 43.3 | 58% | 0.58 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.9 | -36.2 | 179.3 | -46.5 | 0 | 0 | 0 | 0 | 112.3 | N86 F87 Y93 | N86-S89 PolarHBondContact O-N 3.18Å; F87-S89 PolarHBondContact O-N 3.16Å; S89-Y93 WeakPolarHBondContact O-CB 3.31Å; S89-Y93 PolarHBondContact O-N 3.49Å; S89-Y93 VanDerWaalsContact O-N 3.15Å |
| 90 | L | 86 | Confident | 80.9 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 176.8 | -69.7 | 173.3 | 0 | 0 | 0 | 112.3 | E45 R46 L81 N86 F87 V88 S94 | E45-L90 HydrophobicContact CG-CD1 3.92Å; E45-L90 HydrophobicContact CG-CD2 4.03Å; R46-L90 HydrophobicContact CB-CD2 4.33Å; R46-L90 HydrophobicContact CG-CD2 3.76Å; L81-L90 HydrophobicContact CD1-CB 3.93Å; L81-L90 HydrophobicContact CD1-CD1 3.46Å; L81-L90 VanDerWaalsContact CD1-CD1 3.46Å; L81-L90 HydrophobicContact CD1-CG 4.35Å; N86-L90 PolarHBondContact O-N 3.24Å; N86-L90 WeakPolarHBondContact OD1-CD1 3.28Å; F87-L90 PolarHBondContact O-N 2.98Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.29Å; L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.48Å; L90-S94 PolarHBondContact O-N 2.98Å; L90-S94 PolarHBondContact O-OG 3.33Å |
| 91 | V | 85.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70 | -50.6 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | L81 F87 V88 S94 I95 L130 L134 | L81-V91 HydrophobicContact CD2-CG2 3.77Å; L81-V91 HydrophobicContact CG-CG2 4.38Å; F87-V91 WeakPolarHBondContact O-CG2 3.32Å; F87-V91 PolarHBondContact O-N 2.95Å; V88-V91 PolarHBondContact O-N 3.34Å; V91-S94 PolarHBondContact O-N 2.95Å; V91-I95 HydrophobicContact CG1-CD1 3.98Å; V91-I95 PolarHBondContact O-N 3.06Å; V91-L130 HydrophobicContact CG1-CD1 3.89Å; V91-L134 HydrophobicContact CG1-CD1 4.46Å; V91-L134 HydrophobicContact CG1-CD2 3.86Å; V91-L134 HydrophobicContact CG1-CG 4.03Å |
| 92 | C | 84.9 | Confident | 78.1 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.6 | -51.5 | -179.7 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | V88 S94 I95 E96 S133 | V88-C92 PolarHBondContact O-N 3.33Å; V88-C92 PolarHBondContact O-SG 2.93Å; C92-S94 VanDerWaalsContact C-N 3.26Å; C92-S94 PolarHBondContact O-N 2.83Å; C92-I95 PolarHBondContact O-N 3.28Å; C92-E96 WeakPolarHBondContact O-CB 3.33Å; C92-E96 VanDerWaalsContact O-CG 3.3Å; C92-E96 WeakPolarHBondContact O-CG 3.39Å; C92-E96 PolarHBondContact O-N 3.24Å; C92-S133 PolarHBondContact SG-O 3.42Å |
| 93 | Y | 85 | Confident | 76.3 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.1 | -40.8 | 178.5 | 176.4 | -104.1 | 0 | 0 | 0 | 112.9 | R46 S89 N97 | R46-Y93 HydrophobicContact CB-CD1 4.14Å; R46-Y93 HydrophobicContact CB-CE1 4Å; R46-Y93 HydrophobicContact CG-CD1 4.28Å; S89-Y93 WeakPolarHBondContact O-CB 3.31Å; S89-Y93 PolarHBondContact O-N 3.49Å; S89-Y93 VanDerWaalsContact O-N 3.15Å; Y93-N97 WeakPolarHBondContact CD2-ND2 3.28Å; Y93-N97 HydrophobicContact CE2-CB 4.37Å; Y93-N97 VanDerWaalsContact O-CB 3.32Å; Y93-N97 WeakPolarHBondContact O-CB 3.42Å; Y93-N97 PolarHBondContact O-N 2.8Å; Y93-N97 PolarHBondContact O-ND2 3.09Å; Y93-N97 VanDerWaalsContact O-ND2 3.14Å |
| 94 | S | 83.3 | Confident | 74.7 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.014 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.1 | -25.1 | -175.5 | -60.1 | 0 | 0 | 0 | 0 | 114 | V49 R50 L90 V91 C92 | V49-S94 WeakPolarHBondContact CG1-OG 3.46Å; R50-S94 PolarHBondContact N-OG 2.78Å; L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.48Å; L90-S94 PolarHBondContact O-N 2.98Å; L90-S94 PolarHBondContact O-OG 3.33Å; V91-S94 PolarHBondContact O-N 2.95Å; C92-S94 VanDerWaalsContact C-N 3.26Å; C92-S94 PolarHBondContact O-N 2.83Å |
| 95 | I | 79 | Confident | 73 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -91.5 | -37 | 176.8 | -69 | 163.6 | 0 | 0 | 0 | 110.8 | F53 V91 C92 N97 L134 L142 | F53-I95 HydrophobicContact CD1-CD1 4.16Å; F53-I95 HydrophobicContact CD1-CG1 3.84Å; F53-I95 HydrophobicContact CE1-CD1 3.74Å; F53-I95 HydrophobicContact CE1-CG1 3.94Å; F53-I95 HydrophobicContact CG-CG1 4.43Å; F53-I95 HydrophobicContact CZ-CD1 4.29Å; V91-I95 HydrophobicContact CG1-CD1 3.98Å; V91-I95 PolarHBondContact O-N 3.06Å; C92-I95 PolarHBondContact O-N 3.28Å; I95-N97 VanDerWaalsContact C-N 3.34Å; I95-L134 HydrophobicContact CD1-CD1 3.96Å; I95-L134 HydrophobicContact CD1-CD2 3.93Å; I95-L142 HydrophobicContact CB-CD2 4.42Å; I95-L142 HydrophobicContact CG2-CD2 3.54Å |
| 96 | E | 80.4 | Confident | 71.3 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 174 | -72.1 | 167.6 | -159.6 | 0 | 0 | 112.6 | C92 P98 S137 N138 | C92-E96 WeakPolarHBondContact O-CB 3.33Å; C92-E96 VanDerWaalsContact O-CG 3.3Å; C92-E96 WeakPolarHBondContact O-CG 3.39Å; C92-E96 PolarHBondContact O-N 3.24Å; E96-P98 VanDerWaalsContact C-CD 3.46Å; E96-P98 VanDerWaalsContact O-CD 3.28Å; E96-P98 WeakPolarHBondContact O-CD 3.48Å; E96-S137 VanDerWaalsContact OE1-CA 3.25Å; E96-S137 WeakPolarHBondContact OE1-CA 2.95Å; E96-S137 WeakPolarHBondContact OE1-CB 3.21Å; E96-S137 PolarHBondContact OE1-OG 3.4Å; E96-N138 PolarHBondContact OE1-N 2.92Å; E96-N138 PolarHBondContact OE1-ND2 3.27Å; E96-N138 PolarHBondContact OE2-ND2 2.88Å |
| 97 | N | 78.3 | Confident | 69.4 | Low | 65 Ų | 65 | 64.6 Ų | 64.6 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -119.4 | 69.5 | -174.9 | -59.7 | -89.2 | 0 | 0 | 0 | 112 | R50 Y93 I95 | R50-N97 WeakPolarHBondContact CD-O 3.26Å; R50-N97 WeakPolarHBondContact CG-O 3.26Å; R50-N97 PolarHBondContact NE-O 3.47Å; R50-N97 PolarHBondContact NH2-O 2.74Å; Y93-N97 WeakPolarHBondContact CD2-ND2 3.28Å; Y93-N97 HydrophobicContact CE2-CB 4.37Å; Y93-N97 VanDerWaalsContact O-CB 3.32Å; Y93-N97 WeakPolarHBondContact O-CB 3.42Å; Y93-N97 PolarHBondContact O-N 2.8Å; Y93-N97 PolarHBondContact O-ND2 3.09Å; Y93-N97 VanDerWaalsContact O-ND2 3.14Å; I95-N97 VanDerWaalsContact C-N 3.34Å |
| 98 | P | 75 | Confident | 67.8 | Low | 49 Ų | 49 | 66.5 Ų | 66.5 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | trans | -62.4 | 160.5 | 174.3 | 27.2 | -34.6 | 0 | 0 | 0 | 112.3 | R50 E96 | R50-P98 PolarHBondContact NH2-O 2.72Å; E96-P98 VanDerWaalsContact C-CD 3.46Å; E96-P98 VanDerWaalsContact O-CD 3.28Å; E96-P98 WeakPolarHBondContact O-CD 3.48Å | ||
| 99 | L | 70.5 | Confident | 66.2 | Low | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | trans | -77.5 | 144.3 | 171.8 | -72.7 | 168.3 | 0 | 0 | 0 | 111.4 | R50 S54 T101 H102 | R50-L99 HydrophobicContact CG-CG 4.37Å; S54-L99 PolarHBondContact OG-N 2.98Å; L99-T101 PolarHBondContact O-N 3.3Å; L99-T101 VanDerWaalsContact O-N 3.09Å; L99-H102 PolarHBondContact O-N 2.85Å | ||
| 100 | P | 62.7 | Low | 64.6 | Low | 101 Ų | 101 | 68.7 Ų | 68.7 | 66% | 0.656 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -10 | -171 | 28.2 | -36.2 | 0 | 0 | 0 | 114.8 | ||
| 101 | T | 54.5 | Low | 63.4 | Low | 113 Ų | 113 | 76 Ų | 76 | 69% | 0.693 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -27.6 | 178 | 42.3 | 0 | 0 | 0 | 0 | 113.4 | L99 | L99-T101 PolarHBondContact O-N 3.3Å; L99-T101 VanDerWaalsContact O-N 3.09Å |
| 102 | H | 52 | Low | 62.6 | Low | 48 Ų | 48 | 77.7 Ų | 77.7 | 22% | 0.222 | 40% | 0.395 | C | S | . | . | trans | -115.2 | 71.6 | 180 | -73.9 | -110.1 | 0 | 0 | 0 | 111.7 | N57 L99 N104 | N57-H102 PolarHBondContact OD1-ND1 3.15Å; L99-H102 PolarHBondContact O-N 2.85Å; H102-N104 PolarHBondContact O-N 2.8Å | ||
| 103 | K | 44.4 | Very low | 61.9 | Low | 171 Ų | 171 | 77.7 Ų | 77.7 | 74% | 0.743 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -59.3 | -10.2 | -177.9 | -74.2 | -175.9 | 176.8 | 175.6 | 0 | 116 | ||
| 104 | N | 44.2 | Very low | 61.1 | Low | 116 Ų | 116 | 75.5 Ų | 75.5 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -77.8 | -16 | -176.1 | -77.9 | 8.4 | 0 | 0 | 0 | 115 | L59 H102 R106 | L59-N104 HydrophobicContact CD1-CB 3.85Å; H102-N104 PolarHBondContact O-N 2.8Å; N104-R106 PolarHBondContact O-N 3.27Å; N104-R106 VanDerWaalsContact O-N 3.15Å |
| 105 | N | 45.5 | Very low | 60.3 | Low | 55 Ų | 55 | 76.7 Ų | 76.7 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -75.4 | 4.4 | 177.3 | -72.6 | 5.9 | 0 | 0 | 0 | 113.7 | S107 | N105-S107 VanDerWaalsContact C-N 3.32Å; N105-S107 PolarHBondContact O-N 2.96Å |
| 106 | R | 43.2 | Very low | 59.9 | Low | 237 Ų | 237 | 75.7 Ų | 75.7 | 89% | 0.894 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -75.1 | -11.2 | 179.1 | -95.4 | -171.2 | 173.2 | -164.4 | -2.8 | 115.4 | N104 | N104-R106 PolarHBondContact O-N 3.27Å; N104-R106 VanDerWaalsContact O-N 3.15Å |
| 107 | S | 46.1 | Very low | 59.4 | Low | 84 Ų | 84 | 74.1 Ų | 74.1 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -95 | 98.5 | 163.5 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | N105 S109 | N105-S107 VanDerWaalsContact C-N 3.32Å; N105-S107 PolarHBondContact O-N 2.96Å; S107-S109 PolarHBondContact O-N 3.49Å |
| 108 | L | 50.9 | Low | 58.9 | Low | 48 Ų | 48 | 78.1 Ų | 78.1 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | trans | -70.4 | 69.5 | 175.6 | -163.5 | 101.4 | 0 | 0 | 0 | 110.4 | L112 Q141 L142 | L108-L112 HydrophobicContact CD1-CD1 3.88Å; L108-L112 HydrophobicContact CG-CD1 4.26Å; L108-Q141 HydrophobicContact CD2-CB 4.27Å; L108-L142 HydrophobicContact CD1-CD1 4.32Å; L108-L142 HydrophobicContact CD1-CD2 4.45Å; L108-L142 HydrophobicContact CD2-CB 3.84Å; L108-L142 HydrophobicContact CD2-CD1 4.22Å | ||
| 109 | S | 52.6 | Low | 58.4 | Low | 41 Ų | 41 | 78 Ų | 78 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | trans | -71.7 | 152.8 | -169.5 | 88.4 | 0 | 0 | 0 | 0 | 111.9 | S107 R111 L112 | S107-S109 PolarHBondContact O-N 3.49Å; S109-R111 PolarHBondContact O-N 3.12Å; S109-R111 PolarHBondContact OG-N 3.44Å; S109-L112 WeakPolarHBondContact O-CB 3.36Å; S109-L112 PolarHBondContact O-N 2.89Å | ||
| 110 | T | 53.1 | Low | 58.1 | Low | 112 Ų | 112 | 77.1 Ų | 77.1 | 69% | 0.687 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -12.5 | 172.6 | 47.5 | 0 | 0 | 0 | 0 | 114.6 | H145 | T110-H145 WeakPolarHBondContact CG2-NE2 3.36Š|
| 111 | R | 61.1 | Low | 58.4 | Low | 159 Ų | 159 | 77.3 Ų | 77.3 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.1 | 177 | -58.2 | -176.1 | -179.3 | -173.1 | -0.5 | 114.3 | S109 F113 S114 Q115 | S109-R111 PolarHBondContact O-N 3.12Å; S109-R111 PolarHBondContact OG-N 3.44Å; R111-F113 VanDerWaalsContact C-N 3.34Å; R111-F113 PolarHBondContact O-N 3.42Å; R111-S114 PolarHBondContact O-N 2.81Å; R111-S114 PolarHBondContact O-OG 3.27Å; R111-Q115 HydrophobicContact CB-CG 4.08Å; R111-Q115 WeakPolarHBondContact O-CB 3.4Å; R111-Q115 VanDerWaalsContact O-CG 3.28Å; R111-Q115 WeakPolarHBondContact O-CG 3.37Å; R111-Q115 PolarHBondContact O-N 3.06Å; R111-Q115 PolarHBondContact O-OE1 2.86Å |
| 112 | L | 67.3 | Low | 59.2 | Low | 34 Ų | 34 | 72.6 Ų | 72.6 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.6 | -47.6 | -173.5 | -177.5 | 150.6 | 0 | 0 | 0 | 112.2 | L108 S109 Q115 I116 | L108-L112 HydrophobicContact CD1-CD1 3.88Å; L108-L112 HydrophobicContact CG-CD1 4.26Å; S109-L112 WeakPolarHBondContact O-CB 3.36Å; S109-L112 PolarHBondContact O-N 2.89Å; L112-Q115 PolarHBondContact O-N 2.83Å; L112-I116 HydrophobicContact CD2-CD1 3.62Å; L112-I116 HydrophobicContact CG-CD1 4.23Å; L112-I116 WeakPolarHBondContact O-CG1 3.27Å; L112-I116 PolarHBondContact O-N 3.31Å |
| 113 | F | 70.6 | Confident | 60.4 | Low | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.039 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.7 | -75.9 | -84.5 | 0 | 0 | 0 | 113 | R111 T117 L134 L142 H145 A146 W149 | R111-F113 VanDerWaalsContact C-N 3.34Å; R111-F113 PolarHBondContact O-N 3.42Å; F113-T117 VanDerWaalsContact O-CB 3.3Å; F113-T117 WeakPolarHBondContact O-CB 3.3Å; F113-T117 PolarHBondContact O-N 3.42Å; F113-T117 PolarHBondContact O-OG1 2.93Å; F113-L134 HydrophobicContact CE1-CD1 3.72Å; F113-L134 HydrophobicContact CZ-CB 4.1Å; F113-L134 HydrophobicContact CZ-CD1 3.63Å; F113-L142 HydrophobicContact CE2-CD1 4.22Å; F113-L142 HydrophobicContact CZ-CD1 4.42Å; F113-H145 HydrophobicContact CE2-CB 4.18Å; F113-A146 HydrophobicContact CE2-CB 4.28Å; F113-A146 HydrophobicContact CZ-CB 3.71Å; F113-W149 HydrophobicContact CB-CD2 3.5Å; F113-W149 HydrophobicContact CB-CE3 3.48Å; F113-W149 VanDerWaalsContact CB-CE3 3.48Å; F113-W149 HydrophobicContact CB-CG 3.99Å; F113-W149 HydrophobicContact CB-CH2 4.19Å; F113-W149 HydrophobicContact CB-CZ2 4.23Å; F113-W149 HydrophobicContact CB-CZ3 3.83Å; F113-W149 HydrophobicContact CD1-CB 4.18Å; F113-W149 AromaticContact CD1-CD1 3.69Å; F113-W149 HydrophobicContact CD1-CD2 4.06Å; F113-W149 AromaticContact CD1-CG 3.72Å; F113-W149 HydrophobicContact CD1-CG 3.72Å; F113-W149 AromaticContact CD1-NE1 3.99Å; F113-W149 HydrophobicContact CD2-CB 4.28Å; F113-W149 HydrophobicContact CD2-CG 4.5Å; F113-W149 HydrophobicContact CE1-CG 4.35Å; F113-W149 HydrophobicContact CG-CB 4.08Å; F113-W149 AromaticContact CG-CD2 3.9Å; F113-W149 HydrophobicContact CG-CD2 3.9Å; F113-W149 HydrophobicContact CG-CE3 4.25Å; F113-W149 AromaticContact CG-CG 3.81Å; F113-W149 HydrophobicContact CG-CG 3.81Å |
| 114 | S | 68.8 | Low | 61.9 | Low | 39 Ų | 39 | 70.9 Ų | 70.9 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 177.4 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | R111 Q118 | R111-S114 PolarHBondContact O-N 2.81Å; R111-S114 PolarHBondContact O-OG 3.27Å; S114-Q118 VanDerWaalsContact O-CB 3.25Å; S114-Q118 WeakPolarHBondContact O-CB 3.45Å; S114-Q118 WeakPolarHBondContact O-CG 3.37Å; S114-Q118 PolarHBondContact O-N 3.31Å |
| 115 | Q | 66.8 | Low | 63.6 | Low | 28 Ų | 28 | 66.6 Ų | 66.6 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.4 | -49.3 | 177.5 | -74.3 | 164.8 | -38.7 | 0 | 0 | 111 | C58 R111 L112 T117 Q118 I119 | C58-Q115 HydrophobicContact CB-CB 4.16Å; C58-Q115 WeakPolarHBondContact O-CG 3.43Å; C58-Q115 PolarHBondContact O-NE2 3.05Å; R111-Q115 HydrophobicContact CB-CG 4.08Å; R111-Q115 WeakPolarHBondContact O-CB 3.4Å; R111-Q115 VanDerWaalsContact O-CG 3.28Å; R111-Q115 WeakPolarHBondContact O-CG 3.37Å; R111-Q115 PolarHBondContact O-N 3.06Å; R111-Q115 PolarHBondContact O-OE1 2.86Å; L112-Q115 PolarHBondContact O-N 2.83Å; Q115-T117 VanDerWaalsContact C-N 3.32Å; Q115-T117 PolarHBondContact O-N 3.49Å; Q115-Q118 PolarHBondContact O-N 3.03Å; Q115-I119 WeakPolarHBondContact O-CB 3.38Å; Q115-I119 WeakPolarHBondContact O-CD1 3.45Å; Q115-I119 WeakPolarHBondContact O-CG1 3.43Å; Q115-I119 PolarHBondContact O-N 2.96Å |
| 116 | I | 70 | Confident | 65.3 | Low | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 174.4 | -69.7 | 173.9 | 0 | 0 | 0 | 109.9 | F53 F74 L78 L112 Q118 I119 S120 L130 | F53-I116 HydrophobicContact CE1-CD1 4.41Å; F74-I116 HydrophobicContact CE1-CG2 4.32Å; L78-I116 HydrophobicContact CD2-CG2 4.41Å; L112-I116 HydrophobicContact CD2-CD1 3.62Å; L112-I116 HydrophobicContact CG-CD1 4.23Å; L112-I116 WeakPolarHBondContact O-CG1 3.27Å; L112-I116 PolarHBondContact O-N 3.31Å; I116-Q118 PolarHBondContact O-N 3.48Å; I116-I119 PolarHBondContact O-N 2.89Å; I116-S120 WeakPolarHBondContact O-CB 3.41Å; I116-S120 PolarHBondContact O-N 3.27Å; I116-S120 PolarHBondContact O-OG 3.06Å; I116-L130 HydrophobicContact CG2-CD2 3.85Å |
| 117 | T | 69.5 | Low | 67.2 | Low | 21 Ų | 21 | 54.7 Ų | 54.7 | 13% | 0.129 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | -179.9 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | F113 Q115 I119 T121 E127 W149 | F113-T117 VanDerWaalsContact O-CB 3.3Å; F113-T117 WeakPolarHBondContact O-CB 3.3Å; F113-T117 PolarHBondContact O-N 3.42Å; F113-T117 PolarHBondContact O-OG1 2.93Å; Q115-T117 VanDerWaalsContact C-N 3.32Å; Q115-T117 PolarHBondContact O-N 3.49Å; T117-I119 VanDerWaalsContact C-N 3.3Å; T117-I119 PolarHBondContact O-N 2.71Å; T117-T121 PolarHBondContact O-N 2.68Å; T117-T121 VanDerWaalsContact O-N 3.14Å; T117-E127 HydrophobicContact CG2-CG 3.84Å; T117-E127 VanDerWaalsContact CG2-OE1 3.32Å; T117-E127 WeakPolarHBondContact CG2-OE1 3.21Å; T117-W149 WeakPolarHBondContact OG1-CZ2 3.41Å |
| 118 | Q | 67.5 | Low | 69 | Low | 150 Ų | 150 | 50.7 Ų | 50.7 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.2 | -30.7 | 177.2 | -78 | 171.8 | -9.7 | 0 | 0 | 113.6 | S114 Q115 I116 | S114-Q118 VanDerWaalsContact O-CB 3.25Å; S114-Q118 WeakPolarHBondContact O-CB 3.45Å; S114-Q118 WeakPolarHBondContact O-CG 3.37Å; S114-Q118 PolarHBondContact O-N 3.31Å; Q115-Q118 PolarHBondContact O-N 3.03Å; I116-Q118 PolarHBondContact O-N 3.48Å |
| 119 | I | 64.2 | Low | 70.6 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -88.3 | -34.5 | -177.1 | -67.1 | 167.3 | 0 | 0 | 0 | 111.8 | V56 C58 A71 Q115 I116 T117 | V56-I119 HydrophobicContact CG1-CD1 4.4Å; V56-I119 HydrophobicContact CG1-CG2 3.83Å; C58-I119 HydrophobicContact CB-CD1 4.24Å; A71-I119 HydrophobicContact CB-CG2 3.63Å; Q115-I119 WeakPolarHBondContact O-CB 3.38Å; Q115-I119 WeakPolarHBondContact O-CD1 3.45Å; Q115-I119 WeakPolarHBondContact O-CG1 3.43Å; Q115-I119 PolarHBondContact O-N 2.96Å; I116-I119 PolarHBondContact O-N 2.89Å; T117-I119 VanDerWaalsContact C-N 3.3Å; T117-I119 PolarHBondContact O-N 2.71Å |
| 120 | S | 64.7 | Low | 72.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -101.6 | -4 | -171.9 | 60.8 | 0 | 0 | 0 | 0 | 115.5 | S75 I116 L122 | S75-S120 WeakPolarHBondContact CB-O 3.38Å; S75-S120 PolarHBondContact OG-O 2.91Å; I116-S120 WeakPolarHBondContact O-CB 3.41Å; I116-S120 PolarHBondContact O-N 3.27Å; I116-S120 PolarHBondContact O-OG 3.06Å; S120-L122 VanDerWaalsContact C-N 3.34Å; S120-L122 PolarHBondContact O-N 3.33Å; S120-L122 WeakPolarHBondContact OG-CG 3.18Å |
| 121 | T | 68.8 | Low | 73.6 | Confident | 105 Ų | 105 | 41.1 Ų | 41.1 | 64% | 0.644 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 51.9 | 176.2 | 63.9 | 0 | 0 | 0 | 0 | 113 | T117 | T117-T121 PolarHBondContact O-N 2.68Å; T117-T121 VanDerWaalsContact O-N 3.14Å |
| 122 | L | 72 | Confident | 74.7 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | trans | -74.6 | 149.9 | 179.1 | -66.7 | 171.2 | 0 | 0 | 0 | 111.6 | L78 L82 S120 Q126 E127 L130 | L78-L122 HydrophobicContact CD2-CD1 4.08Å; L78-L122 HydrophobicContact CD2-CD2 4.05Å; L78-L122 HydrophobicContact CD2-CG 4.46Å; L78-L122 HydrophobicContact CG-CD2 4.3Å; L82-L122 HydrophobicContact CD1-CD2 4.19Å; S120-L122 VanDerWaalsContact C-N 3.34Å; S120-L122 PolarHBondContact O-N 3.33Å; S120-L122 WeakPolarHBondContact OG-CG 3.18Å; L122-Q126 HydrophobicContact CB-CB 4.12Å; L122-Q126 HydrophobicContact CD2-CB 4Å; L122-Q126 HydrophobicContact CG-CB 4.49Å; L122-E127 HydrophobicContact CB-CG 4.25Å; L122-L130 HydrophobicContact CD1-CD2 3.95Å | ||
| 123 | N | 76.8 | Confident | 75.6 | Confident | 97 Ų | 97 | 32.1 Ų | 32.1 | 52% | 0.519 | 16% | 0.164 | S | C | . | . | trans | -71.6 | 151.2 | 165.4 | -70.7 | -26.3 | 0 | 0 | 0 | 110.1 | F125 Q126 E127 | N123-F125 PolarHBondContact O-N 3.39Å; N123-Q126 HydrophobicContact CB-CG 4.38Å; N123-Q126 WeakPolarHBondContact O-CA 3.4Å; N123-Q126 WeakPolarHBondContact O-CB 3.42Å; N123-Q126 PolarHBondContact O-N 2.89Å; N123-E127 PolarHBondContact O-N 3.15Å | ||
| 124 | R | 77 | Confident | 76.2 | Confident | 86 Ų | 86 | 31.7 Ų | 31.7 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -51.6 | -34.3 | 177.5 | -179.1 | 66.4 | 83.1 | -97.4 | -7 | 113.3 | E127 V128 E156 L157 | R124-E127 WeakPolarHBondContact CD-OE2 3.37Å; R124-E127 IonicContact CZ-OE2 3.65Å; R124-E127 IonicContact NE-OE2 2.79Å; R124-E127 IonicContact NH1-OE1 2.81Å; R124-E127 PolarHBondContact NH1-OE1 3.32Å; R124-E127 IonicContact NH1-OE2 3.17Å; R124-E127 PolarHBondContact NH1-OE2 2.97Å; R124-E127 PolarHBondContact O-N 3.03Å; R124-V128 PolarHBondContact O-N 2.85Å; R124-E156 IonicContact CZ-OE2 3.14Å; R124-E156 IonicContact NE-OE2 2.8Å; R124-E156 PolarHBondContact NE-OE2 3.14Å; R124-E156 IonicContact NH2-OE2 2.67Å; R124-E156 PolarHBondContact NH2-OE2 2.81Å; R124-L157 HydrophobicContact CB-CD1 4.5Å; R124-L157 HydrophobicContact CG-CB 4.17Å; R124-L157 HydrophobicContact CG-CD1 4.17Å |
| 125 | F | 78.6 | Confident | 77 | Confident | 26 Ų | 26 | 30.6 Ų | 30.6 | 11% | 0.114 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 171.7 | 178.4 | -96.3 | 0 | 0 | 0 | 112.9 | N123 V128 V129 L157 I208 L212 I216 | N123-F125 PolarHBondContact O-N 3.39Å; F125-V128 PolarHBondContact O-N 2.79Å; F125-V129 HydrophobicContact CD1-CG2 4.15Å; F125-V129 HydrophobicContact CE1-CG2 3.7Å; F125-V129 HydrophobicContact CZ-CG2 3.91Å; F125-V129 WeakPolarHBondContact O-CG2 3Å; F125-V129 PolarHBondContact O-N 2.9Å; F125-L157 HydrophobicContact CB-CD1 4.29Å; F125-L157 HydrophobicContact CD2-CD2 4.18Å; F125-I208 HydrophobicContact CD1-CD1 4.28Å; F125-I208 HydrophobicContact CD1-CG1 4.17Å; F125-I208 HydrophobicContact CD2-CD1 3.36Å; F125-I208 HydrophobicContact CD2-CG1 4.11Å; F125-I208 HydrophobicContact CE1-CD1 4.28Å; F125-I208 HydrophobicContact CE1-CG1 3.98Å; F125-I208 HydrophobicContact CE1-CG2 4.1Å; F125-I208 HydrophobicContact CE2-CD1 3.36Å; F125-I208 HydrophobicContact CE2-CG1 3.9Å; F125-I208 HydrophobicContact CE2-CG2 3.9Å; F125-I208 HydrophobicContact CG-CD1 3.85Å; F125-I208 HydrophobicContact CG-CG1 4.24Å; F125-I208 HydrophobicContact CZ-CB 4.3Å; F125-I208 HydrophobicContact CZ-CD1 3.86Å; F125-I208 HydrophobicContact CZ-CG1 3.84Å; F125-I208 HydrophobicContact CZ-CG2 3.44Å; F125-I208 VanDerWaalsContact CZ-CG2 3.44Å; F125-L212 HydrophobicContact CE1-CB 4.09Å; F125-L212 HydrophobicContact CE1-CD1 4.08Å; F125-L212 HydrophobicContact CZ-CB 3.82Å; F125-I216 HydrophobicContact CD2-CD1 3.96Å; F125-I216 HydrophobicContact CE2-CD1 3.24Å; F125-I216 HydrophobicContact CZ-CD1 3.67Å |
| 126 | Q | 80.7 | Confident | 77.8 | Confident | 31 Ų | 31 | 34 Ų | 34 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.9 | -30.8 | -177.8 | -62.6 | 169.8 | -48.6 | 0 | 0 | 112.1 | N79 L82 L122 N123 V128 V129 L130 | N79-Q126 PolarHBondContact OD1-NE2 3.32Å; N79-Q126 PolarHBondContact OD1-OE1 3.17Å; L82-Q126 HydrophobicContact CD1-CB 3.92Å; L82-Q126 HydrophobicContact CD1-CG 4.25Å; L122-Q126 HydrophobicContact CB-CB 4.12Å; L122-Q126 HydrophobicContact CD2-CB 4Å; L122-Q126 HydrophobicContact CG-CB 4.49Å; N123-Q126 HydrophobicContact CB-CG 4.38Å; N123-Q126 WeakPolarHBondContact O-CA 3.4Å; N123-Q126 WeakPolarHBondContact O-CB 3.42Å; N123-Q126 PolarHBondContact O-N 2.89Å; Q126-V128 VanDerWaalsContact C-N 3.25Å; Q126-V128 PolarHBondContact O-N 2.99Å; Q126-V129 PolarHBondContact O-N 3.42Å; Q126-L130 WeakPolarHBondContact O-CB 3.25Å; Q126-L130 PolarHBondContact O-N 3.5Å |
| 127 | E | 83 | Confident | 78.4 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -39.4 | 168.1 | -65.4 | 172.8 | -160 | 0 | 0 | 111.7 | T117 L122 N123 R124 G131 W149 | T117-E127 HydrophobicContact CG2-CG 3.84Å; T117-E127 VanDerWaalsContact CG2-OE1 3.32Å; T117-E127 WeakPolarHBondContact CG2-OE1 3.21Å; L122-E127 HydrophobicContact CB-CG 4.25Å; N123-E127 PolarHBondContact O-N 3.15Å; R124-E127 WeakPolarHBondContact CD-OE2 3.37Å; R124-E127 IonicContact CZ-OE2 3.65Å; R124-E127 IonicContact NE-OE2 2.79Å; R124-E127 IonicContact NH1-OE1 2.81Å; R124-E127 PolarHBondContact NH1-OE1 3.32Å; R124-E127 IonicContact NH1-OE2 3.17Å; R124-E127 PolarHBondContact NH1-OE2 2.97Å; R124-E127 PolarHBondContact O-N 3.03Å; E127-G131 PolarHBondContact O-N 2.88Å; E127-W149 HydrophobicContact CB-CZ2 4.44Å; E127-W149 HydrophobicContact CG-CZ2 4.43Å; E127-W149 PolarHBondContact O-NE1 2.92Å |
| 128 | V | 83.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.6 | -45.3 | 177.3 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | R124 F125 Q126 L130 G131 L132 K153 L154 L157 | R124-V128 PolarHBondContact O-N 2.85Å; F125-V128 PolarHBondContact O-N 2.79Å; Q126-V128 VanDerWaalsContact C-N 3.25Å; Q126-V128 PolarHBondContact O-N 2.99Å; V128-L130 VanDerWaalsContact C-N 3.32Å; V128-L130 PolarHBondContact O-N 3.08Å; V128-G131 PolarHBondContact O-N 3.32Å; V128-L132 HydrophobicContact CG1-CD1 4.05Å; V128-L132 HydrophobicContact CG1-CG 4.45Å; V128-L132 WeakPolarHBondContact O-CB 3.33Å; V128-L132 WeakPolarHBondContact O-CG 3.4Å; V128-L132 PolarHBondContact O-N 3.13Å; V128-K153 HydrophobicContact CG2-CB 3.94Å; V128-L154 HydrophobicContact CG1-CB 4.42Å; V128-L154 HydrophobicContact CG1-CD1 3.88Å; V128-L154 HydrophobicContact CG2-CB 4.38Å; V128-L157 HydrophobicContact CB-CD2 4.26Å; V128-L157 HydrophobicContact CG1-CD2 4.42Å; V128-L157 HydrophobicContact CG2-CB 4.44Å; V128-L157 HydrophobicContact CG2-CD2 4.08Å |
| 129 | V | 85.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | L82 F87 F125 Q126 S133 L212 I216 | L82-V129 HydrophobicContact CD2-CG1 4.07Å; F87-V129 HydrophobicContact CE2-CG1 3.55Å; F87-V129 HydrophobicContact CZ-CG1 3.74Å; F125-V129 HydrophobicContact CD1-CG2 4.15Å; F125-V129 HydrophobicContact CE1-CG2 3.7Å; F125-V129 HydrophobicContact CZ-CG2 3.91Å; F125-V129 WeakPolarHBondContact O-CG2 3Å; F125-V129 PolarHBondContact O-N 2.9Å; Q126-V129 PolarHBondContact O-N 3.42Å; V129-S133 PolarHBondContact O-N 3.39Å; V129-S133 PolarHBondContact O-OG 3.41Å; V129-L212 HydrophobicContact CG1-CD2 4.14Å; V129-I216 HydrophobicContact CG2-CD1 3.9Å; V129-I216 HydrophobicContact CG2-CG1 4.25Å |
| 130 | L | 84.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 174.8 | -177.6 | 67.4 | 0 | 0 | 0 | 112.1 | V91 I116 L122 Q126 V128 S133 L134 | V91-L130 HydrophobicContact CG1-CD1 3.89Å; I116-L130 HydrophobicContact CG2-CD2 3.85Å; L122-L130 HydrophobicContact CD1-CD2 3.95Å; Q126-L130 WeakPolarHBondContact O-CB 3.25Å; Q126-L130 PolarHBondContact O-N 3.5Å; V128-L130 VanDerWaalsContact C-N 3.32Å; V128-L130 PolarHBondContact O-N 3.08Å; L130-S133 PolarHBondContact O-OG 3Å; L130-L134 HydrophobicContact CD1-CD1 4.48Å; L130-L134 PolarHBondContact O-N 3.02Å |
| 131 | G | 84.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | E127 V128 S133 L134 T135 V150 | E127-G131 PolarHBondContact O-N 2.88Å; V128-G131 PolarHBondContact O-N 3.32Å; G131-S133 PolarHBondContact O-N 3.1Å; G131-L134 PolarHBondContact O-N 3.06Å; G131-T135 PolarHBondContact O-N 3.35Å; G131-V150 VanDerWaalsContact C-CG2 3.41Å |
| 132 | L | 84.9 | Confident | 81.9 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.9 | -73 | 172.2 | 0 | 0 | 0 | 111.9 | V128 L134 T135 V150 F215 I216 H219 Y227 | V128-L132 HydrophobicContact CG1-CD1 4.05Å; V128-L132 HydrophobicContact CG1-CG 4.45Å; V128-L132 WeakPolarHBondContact O-CB 3.33Å; V128-L132 WeakPolarHBondContact O-CG 3.4Å; V128-L132 PolarHBondContact O-N 3.13Å; L132-L134 VanDerWaalsContact C-N 3.27Å; L132-L134 PolarHBondContact O-N 3.17Å; L132-T135 PolarHBondContact O-N 3.4Å; L132-T135 VanDerWaalsContact O-N 3.1Å; L132-T135 PolarHBondContact O-OG1 3.39Å; L132-V150 HydrophobicContact CD2-CG1 4.02Å; L132-V150 HydrophobicContact CD2-CG2 4.24Å; L132-V150 HydrophobicContact CG-CG1 4.36Å; L132-V150 HydrophobicContact CG-CG2 4.18Å; L132-F215 HydrophobicContact CB-CE1 3.75Å; L132-F215 HydrophobicContact CB-CZ 4.38Å; L132-F215 HydrophobicContact CD1-CE1 4.38Å; L132-I216 HydrophobicContact CD1-CB 4.45Å; L132-I216 HydrophobicContact CD1-CG1 3.89Å; L132-H219 HydrophobicContact CD1-CB 4.41Å; L132-H219 HydrophobicContact CD2-CB 3.92Å; L132-Y227 HydrophobicContact CD2-CD1 4.42Å; L132-Y227 HydrophobicContact CD2-CE1 3.74Å; L132-Y227 HydrophobicContact CD2-CE2 4.41Å |
| 133 | S | 85.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -37 | 178.1 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | C92 V129 L130 G131 T135 H136 | C92-S133 PolarHBondContact SG-O 3.42Å; V129-S133 PolarHBondContact O-N 3.39Å; V129-S133 PolarHBondContact O-OG 3.41Å; L130-S133 PolarHBondContact O-OG 3Å; G131-S133 PolarHBondContact O-N 3.1Å; S133-T135 VanDerWaalsContact C-N 3.3Å; S133-T135 PolarHBondContact O-N 2.89Å; S133-H136 PolarHBondContact O-N 2.95Å |
| 134 | L | 83.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -78.6 | -6 | 178.3 | -74.6 | 174.1 | 0 | 0 | 0 | 115 | V91 I95 F113 L130 G131 L132 H136 S137 L142 A146 | V91-L134 HydrophobicContact CG1-CD1 4.46Å; V91-L134 HydrophobicContact CG1-CD2 3.86Å; V91-L134 HydrophobicContact CG1-CG 4.03Å; I95-L134 HydrophobicContact CD1-CD1 3.96Å; I95-L134 HydrophobicContact CD1-CD2 3.93Å; F113-L134 HydrophobicContact CE1-CD1 3.72Å; F113-L134 HydrophobicContact CZ-CB 4.1Å; F113-L134 HydrophobicContact CZ-CD1 3.63Å; L130-L134 HydrophobicContact CD1-CD1 4.48Å; L130-L134 PolarHBondContact O-N 3.02Å; G131-L134 PolarHBondContact O-N 3.06Å; L132-L134 VanDerWaalsContact C-N 3.27Å; L132-L134 PolarHBondContact O-N 3.17Å; L134-H136 PolarHBondContact O-N 3.23Å; L134-S137 WeakPolarHBondContact O-CB 3.44Å; L134-S137 PolarHBondContact O-N 3.48Å; L134-L142 HydrophobicContact CD1-CD1 4.46Å; L134-L142 HydrophobicContact CD2-CD2 3.99Å; L134-L142 HydrophobicContact CD2-CG 4.38Å; L134-A146 HydrophobicContact CB-CB 3.82Å |
| 135 | T | 84.5 | Confident | 83 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 10% | 0.104 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -22.6 | 167.1 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | G131 L132 S133 S137 S143 A146 K147 Y227 | G131-T135 PolarHBondContact O-N 3.35Å; L132-T135 PolarHBondContact O-N 3.4Å; L132-T135 VanDerWaalsContact O-N 3.1Å; L132-T135 PolarHBondContact O-OG1 3.39Å; S133-T135 VanDerWaalsContact C-N 3.3Å; S133-T135 PolarHBondContact O-N 2.89Å; T135-S137 VanDerWaalsContact C-N 3.29Å; T135-S137 PolarHBondContact O-N 3.34Å; T135-S143 PolarHBondContact O-OG 2.97Å; T135-A146 HydrophobicContact CG2-CB 3.99Å; T135-K147 HydrophobicContact CG2-CG 3.74Å; T135-Y227 HydrophobicContact CG2-CE1 4.38Å |
| 136 | H | 83.4 | Confident | 83.3 | Confident | 100 Ų | 100 | 34.6 Ų | 34.6 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 16.1 | 174.7 | -64.3 | -86 | 0 | 0 | 0 | 114.1 | V88 S133 L134 H219 | V88-H136 HydrophobicContact CG1-CB 3.91Å; S133-H136 PolarHBondContact O-N 2.95Å; L134-H136 PolarHBondContact O-N 3.23Å; H136-H219 AromaticContact CD2-NE2 3.76Å; H136-H219 AromaticContact CE1-NE2 3.91Å; H136-H219 AromaticContact NE2-CD2 3.86Å; H136-H219 AromaticContact NE2-CE1 3.84Å; H136-H219 AromaticContact NE2-NE2 2.89Å; H136-H219 PolarHBondContact NE2-NE2 2.86Å |
| 137 | S | 84.4 | Confident | 83.4 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | trans | -74.9 | 145.5 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | E96 L134 T135 D139 | E96-S137 VanDerWaalsContact OE1-CA 3.25Å; E96-S137 WeakPolarHBondContact OE1-CA 2.95Å; E96-S137 WeakPolarHBondContact OE1-CB 3.21Å; E96-S137 PolarHBondContact OE1-OG 3.4Å; L134-S137 WeakPolarHBondContact O-CB 3.44Å; L134-S137 PolarHBondContact O-N 3.48Å; T135-S137 VanDerWaalsContact C-N 3.29Å; T135-S137 PolarHBondContact O-N 3.34Å; S137-D139 PolarHBondContact O-N 2.89Å; S137-D139 PolarHBondContact OG-N 3.33Å | ||
| 138 | N | 83.6 | Confident | 83.4 | Confident | 138 Ų | 138 | 41 Ų | 41 | 74% | 0.738 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -69.1 | -17.5 | 172.1 | -61.7 | -70 | 0 | 0 | 0 | 113.2 | E96 P140 | E96-N138 PolarHBondContact OE1-N 2.92Å; E96-N138 PolarHBondContact OE1-ND2 3.27Å; E96-N138 PolarHBondContact OE2-ND2 2.88Å; N138-P140 WeakPolarHBondContact O-CD 3.44Å |
| 139 | D | 80.7 | Confident | 83.5 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | trans | -85.6 | 114.7 | 173.6 | 173 | 23.6 | 0 | 0 | 0 | 110.8 | S137 Q141 L142 S143 | S137-D139 PolarHBondContact O-N 2.89Å; S137-D139 PolarHBondContact OG-N 3.33Å; D139-Q141 PolarHBondContact O-N 3.34Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.29Å; D139-Q141 PolarHBondContact OD1-N 3.5Å; D139-L142 HydrophobicContact CB-CB 3.95Å; D139-L142 PolarHBondContact O-N 3.43Å; D139-L142 WeakPolarHBondContact OD2-CB 3.34Å; D139-L142 PolarHBondContact OD2-N 3.19Å; D139-S143 PolarHBondContact O-N 2.95Å | ||
| 140 | P | 81.1 | Confident | 83.4 | Confident | 103 Ų | 103 | 42.7 Ų | 42.7 | 67% | 0.669 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.5 | -24 | 178 | 27.8 | -35.7 | 0 | 0 | 0 | 112.9 | N138 A144 | N138-P140 WeakPolarHBondContact O-CD 3.44Å; P140-A144 VanDerWaalsContact O-CB 3.3Å; P140-A144 WeakPolarHBondContact O-CB 3.3Å; P140-A144 PolarHBondContact O-N 3.04Å; P140-A144 VanDerWaalsContact O-N 3.1Å |
| 141 | Q | 80.6 | Confident | 83.4 | Confident | 126 Ų | 126 | 47.3 Ų | 47.3 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -71.8 | -46.4 | 174.4 | -60.4 | -166.3 | 3.3 | 0 | 0 | 110.8 | L108 D139 A144 H145 | L108-Q141 HydrophobicContact CD2-CB 4.27Å; D139-Q141 PolarHBondContact O-N 3.34Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.29Å; D139-Q141 PolarHBondContact OD1-N 3.5Å; Q141-A144 PolarHBondContact O-N 3.43Å; Q141-H145 PolarHBondContact O-N 2.9Å; Q141-H145 VanDerWaalsContact O-N 3.08Å; Q141-H145 PolarHBondContact O-ND1 3.24Å |
| 142 | L | 81.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175 | -175.5 | 51 | 0 | 0 | 0 | 112.3 | I95 L108 F113 L134 D139 A144 H145 A146 | I95-L142 HydrophobicContact CB-CD2 4.42Å; I95-L142 HydrophobicContact CG2-CD2 3.54Å; L108-L142 HydrophobicContact CD1-CD1 4.32Å; L108-L142 HydrophobicContact CD1-CD2 4.45Å; L108-L142 HydrophobicContact CD2-CB 3.84Å; L108-L142 HydrophobicContact CD2-CD1 4.22Å; F113-L142 HydrophobicContact CE2-CD1 4.22Å; F113-L142 HydrophobicContact CZ-CD1 4.42Å; L134-L142 HydrophobicContact CD1-CD1 4.46Å; L134-L142 HydrophobicContact CD2-CD2 3.99Å; L134-L142 HydrophobicContact CD2-CG 4.38Å; D139-L142 HydrophobicContact CB-CB 3.95Å; D139-L142 PolarHBondContact O-N 3.43Å; D139-L142 WeakPolarHBondContact OD2-CB 3.34Å; D139-L142 PolarHBondContact OD2-N 3.19Å; L142-A144 VanDerWaalsContact C-N 3.35Å; L142-A144 PolarHBondContact O-N 3.47Å; L142-H145 PolarHBondContact O-N 3.38Å; L142-A146 WeakPolarHBondContact O-CB 3.46Å; L142-A146 PolarHBondContact O-N 2.88Å |
| 143 | S | 83.8 | Confident | 83.2 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | T135 D139 A146 K147 | T135-S143 PolarHBondContact O-OG 2.97Å; D139-S143 PolarHBondContact O-N 2.95Å; S143-A146 WeakPolarHBondContact O-CB 3.37Å; S143-A146 PolarHBondContact O-N 3Å; S143-K147 PolarHBondContact O-N 3.5Å |
| 144 | A | 83.7 | Confident | 83 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 49% | 0.488 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P140 Q141 L142 A146 K147 Q148 | P140-A144 VanDerWaalsContact O-CB 3.3Å; P140-A144 WeakPolarHBondContact O-CB 3.3Å; P140-A144 PolarHBondContact O-N 3.04Å; P140-A144 VanDerWaalsContact O-N 3.1Å; Q141-A144 PolarHBondContact O-N 3.43Å; L142-A144 VanDerWaalsContact C-N 3.35Å; L142-A144 PolarHBondContact O-N 3.47Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.92Å; A144-K147 PolarHBondContact O-N 2.94Å; A144-Q148 PolarHBondContact O-N 3.12Å |
| 145 | H | 81.6 | Confident | 82.9 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 174.5 | -71.8 | 90.2 | 0 | 0 | 0 | 112 | T110 F113 Q141 L142 Q148 W149 | T110-H145 WeakPolarHBondContact CG2-NE2 3.36Å; F113-H145 HydrophobicContact CE2-CB 4.18Å; Q141-H145 PolarHBondContact O-N 2.9Å; Q141-H145 VanDerWaalsContact O-N 3.08Å; Q141-H145 PolarHBondContact O-ND1 3.24Å; L142-H145 PolarHBondContact O-N 3.38Å; H145-Q148 PolarHBondContact O-N 3.37Å; H145-W149 WeakPolarHBondContact O-CB 3.43Å; H145-W149 PolarHBondContact O-N 3.02Å |
| 146 | A | 84.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -47.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F113 L134 T135 L142 S143 A144 Q148 W149 V150 | F113-A146 HydrophobicContact CE2-CB 4.28Å; F113-A146 HydrophobicContact CZ-CB 3.71Å; L134-A146 HydrophobicContact CB-CB 3.82Å; T135-A146 HydrophobicContact CG2-CB 3.99Å; L142-A146 WeakPolarHBondContact O-CB 3.46Å; L142-A146 PolarHBondContact O-N 2.88Å; S143-A146 WeakPolarHBondContact O-CB 3.37Å; S143-A146 PolarHBondContact O-N 3Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.92Å; A146-Q148 VanDerWaalsContact C-N 3.34Å; A146-Q148 PolarHBondContact O-N 3.39Å; A146-W149 PolarHBondContact O-N 2.83Å; A146-V150 WeakPolarHBondContact O-CG2 3.29Å; A146-V150 PolarHBondContact O-N 3.4Å |
| 147 | K | 83.6 | Confident | 82.5 | Confident | 65 Ų | 65 | 54 Ų | 54 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 172.8 | -72 | -164.1 | 175.8 | -155.3 | 0 | 111.5 | T135 S143 A144 W149 V150 H151 D223 | T135-K147 HydrophobicContact CG2-CG 3.74Å; S143-K147 PolarHBondContact O-N 3.5Å; A144-K147 PolarHBondContact O-N 2.94Å; K147-W149 VanDerWaalsContact C-N 3.34Å; K147-W149 PolarHBondContact O-N 3.18Å; K147-V150 PolarHBondContact O-N 3.22Å; K147-H151 WeakPolarHBondContact O-CB 3.24Å; K147-H151 PolarHBondContact O-N 3.37Å; K147-D223 IonicContact NZ-OD2 2.78Å |
| 148 | Q | 83.9 | Confident | 82.2 | Confident | 112 Ų | 112 | 53.3 Ų | 53.3 | 52% | 0.523 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 176.6 | -168.5 | -178.6 | 20.2 | 0 | 0 | 113 | A144 H145 A146 Q152 | A144-Q148 PolarHBondContact O-N 3.12Å; H145-Q148 PolarHBondContact O-N 3.37Å; A146-Q148 VanDerWaalsContact C-N 3.34Å; A146-Q148 PolarHBondContact O-N 3.39Å; Q148-Q152 WeakPolarHBondContact O-CG 3.41Å; Q148-Q152 PolarHBondContact O-N 2.86Å |
| 149 | W | 84.6 | Confident | 81.9 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 176.3 | -179.1 | -98 | 0 | 0 | 0 | 112.2 | F113 T117 E127 H145 A146 K147 H151 Q152 K153 | F113-W149 HydrophobicContact CB-CD2 3.5Å; F113-W149 HydrophobicContact CB-CE3 3.48Å; F113-W149 VanDerWaalsContact CB-CE3 3.48Å; F113-W149 HydrophobicContact CB-CG 3.99Å; F113-W149 HydrophobicContact CB-CH2 4.19Å; F113-W149 HydrophobicContact CB-CZ2 4.23Å; F113-W149 HydrophobicContact CB-CZ3 3.83Å; F113-W149 HydrophobicContact CD1-CB 4.18Å; F113-W149 AromaticContact CD1-CD1 3.69Å; F113-W149 HydrophobicContact CD1-CD2 4.06Å; F113-W149 AromaticContact CD1-CG 3.72Å; F113-W149 HydrophobicContact CD1-CG 3.72Å; F113-W149 AromaticContact CD1-NE1 3.99Å; F113-W149 HydrophobicContact CD2-CB 4.28Å; F113-W149 HydrophobicContact CD2-CG 4.5Å; F113-W149 HydrophobicContact CE1-CG 4.35Å; F113-W149 HydrophobicContact CG-CB 4.08Å; F113-W149 AromaticContact CG-CD2 3.9Å; F113-W149 HydrophobicContact CG-CD2 3.9Å; F113-W149 HydrophobicContact CG-CE3 4.25Å; F113-W149 AromaticContact CG-CG 3.81Å; F113-W149 HydrophobicContact CG-CG 3.81Å; T117-W149 WeakPolarHBondContact OG1-CZ2 3.41Å; E127-W149 HydrophobicContact CB-CZ2 4.44Å; E127-W149 HydrophobicContact CG-CZ2 4.43Å; E127-W149 PolarHBondContact O-NE1 2.92Å; H145-W149 WeakPolarHBondContact O-CB 3.43Å; H145-W149 PolarHBondContact O-N 3.02Å; A146-W149 PolarHBondContact O-N 2.83Å; K147-W149 VanDerWaalsContact C-N 3.34Å; K147-W149 PolarHBondContact O-N 3.18Å; W149-H151 PolarHBondContact O-N 2.68Å; W149-Q152 PolarHBondContact O-N 2.9Å; W149-Q152 VanDerWaalsContact O-N 3.09Å; W149-K153 HydrophobicContact CD2-CG 4.3Å; W149-K153 HydrophobicContact CZ2-CG 4.12Å; W149-K153 PolarHBondContact O-N 3.18Å |
| 150 | V | 84.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 175.8 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | G131 L132 A146 K147 Q152 K153 L154 Y227 | G131-V150 VanDerWaalsContact C-CG2 3.41Å; L132-V150 HydrophobicContact CD2-CG1 4.02Å; L132-V150 HydrophobicContact CD2-CG2 4.24Å; L132-V150 HydrophobicContact CG-CG1 4.36Å; L132-V150 HydrophobicContact CG-CG2 4.18Å; A146-V150 WeakPolarHBondContact O-CG2 3.29Å; A146-V150 PolarHBondContact O-N 3.4Å; K147-V150 PolarHBondContact O-N 3.22Å; V150-Q152 PolarHBondContact O-N 3.21Å; V150-Q152 VanDerWaalsContact O-N 3.13Å; V150-K153 PolarHBondContact O-N 3.3Å; V150-K153 VanDerWaalsContact O-N 3.08Å; V150-L154 HydrophobicContact CG1-CB 3.89Å; V150-L154 HydrophobicContact CG1-CD2 4.03Å; V150-L154 WeakPolarHBondContact O-CB 3.47Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-Y227 HydrophobicContact CB-CD1 3.95Å; V150-Y227 HydrophobicContact CB-CE1 4.24Å; V150-Y227 HydrophobicContact CG1-CD1 3.43Å; V150-Y227 VanDerWaalsContact CG1-CD1 3.43Å; V150-Y227 HydrophobicContact CG1-CE1 3.93Å; V150-Y227 HydrophobicContact CG1-CG 4.23Å |
| 151 | H | 83.5 | Confident | 81.1 | Confident | 98 Ų | 98 | 46.5 Ų | 46.5 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.4 | -25.6 | 175.5 | -172.2 | -45.3 | 0 | 0 | 0 | 113 | K147 W149 P155 | K147-H151 WeakPolarHBondContact O-CB 3.24Å; K147-H151 PolarHBondContact O-N 3.37Å; W149-H151 PolarHBondContact O-N 2.68Å; H151-P155 WeakPolarHBondContact O-CD 3.2Å; H151-P155 WeakPolarHBondContact O-CG 3.42Å |
| 152 | Q | 82.4 | Confident | 80.8 | Confident | 97 Ų | 97 | 42.4 Ų | 42.4 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -84.3 | -39.9 | 172.7 | -68.7 | 175.2 | 18.5 | 0 | 0 | 112.6 | Q148 W149 V150 | Q148-Q152 WeakPolarHBondContact O-CG 3.41Å; Q148-Q152 PolarHBondContact O-N 2.86Å; W149-Q152 PolarHBondContact O-N 2.9Å; W149-Q152 VanDerWaalsContact O-N 3.09Å; V150-Q152 PolarHBondContact O-N 3.21Å; V150-Q152 VanDerWaalsContact O-N 3.13Å |
| 153 | K | 81.7 | Confident | 80.2 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 14% | 0.135 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -98.8 | -23 | -167.6 | -64.2 | -44.6 | -167.6 | -175.2 | 0 | 116.1 | V128 W149 V150 E156 L157 | V128-K153 HydrophobicContact CG2-CB 3.94Å; W149-K153 HydrophobicContact CD2-CG 4.3Å; W149-K153 HydrophobicContact CZ2-CG 4.12Å; W149-K153 PolarHBondContact O-N 3.18Å; V150-K153 PolarHBondContact O-N 3.3Å; V150-K153 VanDerWaalsContact O-N 3.08Å; K153-E156 IonicContact NZ-OE1 3.15Å; K153-E156 PolarHBondContact NZ-OE1 3.23Å; K153-E156 IonicContact NZ-OE2 3.47Å; K153-E156 PolarHBondContact NZ-OE2 3.42Å; K153-L157 WeakPolarHBondContact O-CB 3.22Å; K153-L157 PolarHBondContact O-N 2.88Å |
| 154 | L | 83.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 174.8 | 178.7 | 70.8 | 0 | 0 | 0 | 112.4 | V128 V150 E156 L157 V158 L220 Y227 L229 | V128-L154 HydrophobicContact CG1-CB 4.42Å; V128-L154 HydrophobicContact CG1-CD1 3.88Å; V128-L154 HydrophobicContact CG2-CB 4.38Å; V150-L154 HydrophobicContact CG1-CB 3.89Å; V150-L154 HydrophobicContact CG1-CD2 4.03Å; V150-L154 WeakPolarHBondContact O-CB 3.47Å; V150-L154 PolarHBondContact O-N 2.91Å; L154-E156 VanDerWaalsContact C-N 3.35Å; L154-E156 PolarHBondContact O-N 2.76Å; L154-L157 WeakPolarHBondContact O-CB 3.49Å; L154-L157 PolarHBondContact O-N 3.33Å; L154-V158 HydrophobicContact CD1-CG2 4.45Å; L154-V158 WeakPolarHBondContact O-CG2 3.16Å; L154-V158 PolarHBondContact O-N 3.17Å; L154-L220 HydrophobicContact CD2-CD2 3.89Å; L154-Y227 HydrophobicContact CD2-CG 4.49Å; L154-L229 HydrophobicContact CD2-CD1 3.78Å; L154-L229 HydrophobicContact CD2-CG 4.24Å; L154-L229 HydrophobicContact CG-CD1 4.02Å; L154-L229 HydrophobicContact CG-CG 4.42Å |
| 155 | P | 80.2 | Confident | 77.9 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 26% | 0.26 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.2 | -36.7 | 173.7 | -23.8 | 36.2 | 0 | 0 | 0 | 113.1 | H151 A159 L229 | H151-P155 WeakPolarHBondContact O-CD 3.2Å; H151-P155 WeakPolarHBondContact O-CG 3.42Å; P155-A159 WeakPolarHBondContact O-CB 3.34Å; P155-A159 PolarHBondContact O-N 3.16Å; P155-L229 HydrophobicContact CB-CD2 4.33Å; P155-L229 HydrophobicContact CG-CD2 4.25Å |
| 156 | E | 79.7 | Confident | 76.7 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 171.9 | -74.5 | -179.3 | -148.7 | 0 | 0 | 111.7 | R124 K153 L154 T160 | R124-E156 IonicContact CZ-OE2 3.14Å; R124-E156 IonicContact NE-OE2 2.8Å; R124-E156 PolarHBondContact NE-OE2 3.14Å; R124-E156 IonicContact NH2-OE2 2.67Å; R124-E156 PolarHBondContact NH2-OE2 2.81Å; K153-E156 IonicContact NZ-OE1 3.15Å; K153-E156 PolarHBondContact NZ-OE1 3.23Å; K153-E156 IonicContact NZ-OE2 3.47Å; K153-E156 PolarHBondContact NZ-OE2 3.42Å; L154-E156 VanDerWaalsContact C-N 3.35Å; L154-E156 PolarHBondContact O-N 2.76Å; E156-T160 WeakPolarHBondContact O-CG2 3.38Å; E156-T160 PolarHBondContact O-N 3.27Å; E156-T160 PolarHBondContact O-OG1 2.86Å |
| 157 | L | 80.4 | Confident | 75.2 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -49.8 | 178.6 | -178 | 66 | 0 | 0 | 0 | 111.4 | R124 F125 V128 K153 L154 A159 T160 H161 | R124-L157 HydrophobicContact CB-CD1 4.5Å; R124-L157 HydrophobicContact CG-CB 4.17Å; R124-L157 HydrophobicContact CG-CD1 4.17Å; F125-L157 HydrophobicContact CB-CD1 4.29Å; F125-L157 HydrophobicContact CD2-CD2 4.18Å; V128-L157 HydrophobicContact CB-CD2 4.26Å; V128-L157 HydrophobicContact CG1-CD2 4.42Å; V128-L157 HydrophobicContact CG2-CB 4.44Å; V128-L157 HydrophobicContact CG2-CD2 4.08Å; K153-L157 WeakPolarHBondContact O-CB 3.22Å; K153-L157 PolarHBondContact O-N 2.88Å; L154-L157 WeakPolarHBondContact O-CB 3.49Å; L154-L157 PolarHBondContact O-N 3.33Å; L157-A159 PolarHBondContact O-N 3.11Å; L157-T160 PolarHBondContact O-N 3.38Å; L157-T160 PolarHBondContact O-OG1 3.22Å; L157-H161 PolarHBondContact O-N 3.24Å |
| 158 | V | 77.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 179.8 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L154 T160 H161 L162 L229 I233 F237 | L154-V158 HydrophobicContact CD1-CG2 4.45Å; L154-V158 WeakPolarHBondContact O-CG2 3.16Å; L154-V158 PolarHBondContact O-N 3.17Å; V158-T160 PolarHBondContact O-N 2.73Å; V158-H161 PolarHBondContact O-N 3.21Å; V158-L162 HydrophobicContact CG1-CD1 3.9Å; V158-L162 HydrophobicContact CG1-CG 4.4Å; V158-L162 WeakPolarHBondContact O-CG 3.43Å; V158-L162 PolarHBondContact O-N 2.66Å; V158-L229 HydrophobicContact CB-CD2 4.38Å; V158-L229 HydrophobicContact CG2-CD1 4.45Å; V158-L229 HydrophobicContact CG2-CD2 4.27Å; V158-I233 HydrophobicContact CG1-CG2 3.65Å; V158-F237 HydrophobicContact CG1-CB 3.87Å; V158-F237 HydrophobicContact CG1-CD2 3.94Å; V158-F237 HydrophobicContact CG1-CG 3.99Å; V158-F237 HydrophobicContact CG2-CD1 4.38Å; V158-F237 HydrophobicContact CG2-CD2 4.18Å; V158-F237 HydrophobicContact CG2-CE1 4.5Å; V158-F237 HydrophobicContact CG2-CE2 4.31Å; V158-F237 HydrophobicContact CG2-CG 4.22Å; V158-F237 HydrophobicContact CG2-CZ 4.46Å |
| 159 | A | 78.1 | Confident | 71.6 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 48% | 0.479 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P155 L157 A163 | P155-A159 WeakPolarHBondContact O-CB 3.34Å; P155-A159 PolarHBondContact O-N 3.16Å; L157-A159 PolarHBondContact O-N 3.11Å; A159-A163 VanDerWaalsContact O-CB 3.25Å; A159-A163 WeakPolarHBondContact O-CB 3.29Å; A159-A163 PolarHBondContact O-N 3.47Å |
| 160 | T | 75.2 | Confident | 69.6 | Low | 77 Ų | 77 | 59 Ų | 59 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.6 | -33.3 | 176.1 | 52.1 | 0 | 0 | 0 | 0 | 113 | E156 L157 V158 V164 | E156-T160 WeakPolarHBondContact O-CG2 3.38Å; E156-T160 PolarHBondContact O-N 3.27Å; E156-T160 PolarHBondContact O-OG1 2.86Å; L157-T160 PolarHBondContact O-N 3.38Å; L157-T160 PolarHBondContact O-OG1 3.22Å; V158-T160 PolarHBondContact O-N 2.73Å; T160-V164 VanDerWaalsContact O-CG2 3.31Å; T160-V164 WeakPolarHBondContact O-CG2 3.47Å; T160-V164 PolarHBondContact O-N 3.32Å; T160-V164 VanDerWaalsContact O-N 3.15Å |
| 161 | H | 70.3 | Confident | 67.2 | Low | 11 Ų | 11 | 63.5 Ų | 63.5 | 5% | 0.051 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.5 | -50.5 | 172.9 | -175.4 | -130.1 | 0 | 0 | 0 | 112.3 | L157 V158 A163 V164 Y165 L205 F237 S240 E244 | L157-H161 PolarHBondContact O-N 3.24Å; V158-H161 PolarHBondContact O-N 3.21Å; H161-A163 VanDerWaalsContact C-N 3.35Å; H161-A163 PolarHBondContact O-N 2.8Å; H161-V164 PolarHBondContact O-N 3.14Å; H161-Y165 PolarHBondContact O-N 3.01Å; H161-Y165 VanDerWaalsContact O-N 3.08Å; H161-L205 HydrophobicContact CB-CD1 3.75Å; H161-L205 VanDerWaalsContact CG-CD1 3.5Å; H161-F237 AromaticContact ND1-CD2 3.69Å; H161-F237 AromaticContact ND1-CE2 3.56Å; H161-S240 PolarHBondContact CE1-OG 3.28Å; H161-S240 VanDerWaalsContact CE1-OG 3.22Å; H161-E244 IonicContact CD2-OE1 3.89Å; H161-E244 IonicContact CE1-OE1 3.67Å; H161-E244 IonicContact CE1-OE2 3.62Å; H161-E244 VanDerWaalsContact NE2-CD 3.31Å; H161-E244 IonicContact NE2-OE1 2.83Å; H161-E244 PolarHBondContact NE2-OE1 3Å; H161-E244 IonicContact NE2-OE2 3.35Å; H161-E244 PolarHBondContact NE2-OE2 3.48Å |
| 162 | L | 73.9 | Confident | 64.7 | Low | 40 Ų | 40 | 62.1 Ų | 62.1 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 178.8 | -67.4 | 170.8 | 0 | 0 | 0 | 111.7 | V158 V164 Y165 D166 I233 N236 | V158-L162 HydrophobicContact CG1-CD1 3.9Å; V158-L162 HydrophobicContact CG1-CG 4.4Å; V158-L162 WeakPolarHBondContact O-CG 3.43Å; V158-L162 PolarHBondContact O-N 2.66Å; L162-V164 PolarHBondContact O-N 3.02Å; L162-Y165 WeakPolarHBondContact O-CB 3.31Å; L162-Y165 PolarHBondContact O-N 3.34Å; L162-Y165 VanDerWaalsContact O-N 3.08Å; L162-D166 PolarHBondContact O-N 3.42Å; L162-D166 VanDerWaalsContact O-N 3.07Å; L162-I233 HydrophobicContact CD1-CG2 4.49Å; L162-N236 HydrophobicContact CD1-CB 4.47Å; L162-N236 HydrophobicContact CD2-CB 4.29Å |
| 163 | A | 68 | Low | 62.1 | Low | 56 Ų | 56 | 63.7 Ų | 63.7 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A159 H161 Y165 V167 | A159-A163 VanDerWaalsContact O-CB 3.25Å; A159-A163 WeakPolarHBondContact O-CB 3.29Å; A159-A163 PolarHBondContact O-N 3.47Å; H161-A163 VanDerWaalsContact C-N 3.35Å; H161-A163 PolarHBondContact O-N 2.8Å; A163-Y165 VanDerWaalsContact C-N 3.33Å; A163-V167 WeakPolarHBondContact O-CG2 3.14Å; A163-V167 PolarHBondContact O-N 3.2Å |
| 164 | V | 64.2 | Low | 59.7 | Low | 58 Ų | 58 | 68 Ų | 68 | 35% | 0.352 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 171.8 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | T160 H161 L162 V167 Q168 | T160-V164 VanDerWaalsContact O-CG2 3.31Å; T160-V164 WeakPolarHBondContact O-CG2 3.47Å; T160-V164 PolarHBondContact O-N 3.32Å; T160-V164 VanDerWaalsContact O-N 3.15Å; H161-V164 PolarHBondContact O-N 3.14Å; L162-V164 PolarHBondContact O-N 3.02Å; V164-V167 PolarHBondContact O-N 3.06Å; V164-Q168 WeakPolarHBondContact O-CG 3.36Å; V164-Q168 PolarHBondContact O-N 3.45Å; V164-Q168 VanDerWaalsContact O-N 3.13Å |
| 165 | Y | 56 | Low | 57 | Low | 61 Ų | 61 | 74.6 Ų | 74.6 | 24% | 0.239 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 179.9 | -137.9 | -97.3 | 0 | 0 | 0 | 112.9 | H161 L162 A163 V167 Q168 A169 S240 K243 E244 | H161-Y165 PolarHBondContact O-N 3.01Å; H161-Y165 VanDerWaalsContact O-N 3.08Å; L162-Y165 WeakPolarHBondContact O-CB 3.31Å; L162-Y165 PolarHBondContact O-N 3.34Å; L162-Y165 VanDerWaalsContact O-N 3.08Å; A163-Y165 VanDerWaalsContact C-N 3.33Å; Y165-V167 VanDerWaalsContact C-N 3.31Å; Y165-V167 PolarHBondContact O-N 3.12Å; Y165-Q168 PolarHBondContact O-N 2.95Å; Y165-A169 WeakPolarHBondContact O-CB 3.39Å; Y165-A169 PolarHBondContact O-N 3.46Å; Y165-S240 WeakPolarHBondContact CD2-OG 3.28Å; Y165-K243 HydrophobicContact CE1-CB 4.46Å; Y165-K243 HydrophobicContact CE1-CD 4.18Å; Y165-K243 WeakPolarHBondContact OH-CB 3.3Å; Y165-E244 HydrophobicContact CE2-CG 3.61Å |
| 166 | D | 55.8 | Low | 54.6 | Low | 114 Ų | 114 | 80.7 Ų | 80.7 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -36 | 178.5 | -77.8 | -27 | 0 | 0 | 0 | 112.7 | L162 T170 | L162-D166 PolarHBondContact O-N 3.42Å; L162-D166 VanDerWaalsContact O-N 3.07Å; D166-T170 WeakPolarHBondContact O-CG2 3.26Å; D166-T170 PolarHBondContact O-N 3.25Å; D166-T170 PolarHBondContact O-OG1 2.95Å |
| 167 | V | 53.4 | Low | 52.2 | Low | 96 Ų | 96 | 87.5 Ų | 87.5 | 58% | 0.582 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -40 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | A163 V164 Y165 T170 S171 | A163-V167 WeakPolarHBondContact O-CG2 3.14Å; A163-V167 PolarHBondContact O-N 3.2Å; V164-V167 PolarHBondContact O-N 3.06Å; Y165-V167 VanDerWaalsContact C-N 3.31Å; Y165-V167 PolarHBondContact O-N 3.12Å; V167-T170 PolarHBondContact O-N 2.98Å; V167-T170 PolarHBondContact O-OG1 3.19Å; V167-S171 PolarHBondContact O-N 3.45Å; V167-S171 PolarHBondContact O-OG 3.1Å |
| 168 | Q | 47.3 | Very low | 49.9 | Very low | 121 Ų | 121 | 94.7 Ų | 94.7 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.8 | -31.4 | 176.9 | -70.2 | -178.9 | 9.5 | 0 | 0 | 112.8 | V164 Y165 T170 | V164-Q168 WeakPolarHBondContact O-CG 3.36Å; V164-Q168 PolarHBondContact O-N 3.45Å; V164-Q168 VanDerWaalsContact O-N 3.13Å; Y165-Q168 PolarHBondContact O-N 2.95Å; Q168-T170 VanDerWaalsContact C-N 3.28Å; Q168-T170 PolarHBondContact O-N 3.12Å |
| 169 | A | 44.2 | Very low | 47.6 | Very low | 79 Ų | 79 | 103 Ų | 103 | 65% | 0.653 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.9 | -22.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y165 | Y165-A169 WeakPolarHBondContact O-CB 3.39Å; Y165-A169 PolarHBondContact O-N 3.46Å |
| 170 | T | 43 | Very low | 45.2 | Very low | 110 Ų | 110 | 104.4 Ų | 104.4 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -107.4 | -16.9 | -171.7 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | D166 V167 Q168 G172 | D166-T170 WeakPolarHBondContact O-CG2 3.26Å; D166-T170 PolarHBondContact O-N 3.25Å; D166-T170 PolarHBondContact O-OG1 2.95Å; V167-T170 PolarHBondContact O-N 2.98Å; V167-T170 PolarHBondContact O-OG1 3.19Å; Q168-T170 VanDerWaalsContact C-N 3.28Å; Q168-T170 PolarHBondContact O-N 3.12Å; T170-G172 PolarHBondContact O-N 2.85Å |
| 171 | S | 32.8 | Very low | 43.1 | Very low | 95 Ų | 95 | 108.1 Ų | 108.1 | 66% | 0.664 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 38.2 | -173.1 | 64.6 | 0 | 0 | 0 | 0 | 115.4 | V167 | V167-S171 PolarHBondContact O-N 3.45Å; V167-S171 PolarHBondContact O-OG 3.1Å |
| 172 | G | 30.7 | Very low | 41.2 | Very low | 69 Ų | 69 | 111.5 Ų | 111.5 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -23.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T170 | T170-G172 PolarHBondContact O-N 2.85Š|
| 173 | T | 29.3 | Very low | 39.1 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 80% | 0.798 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -152.2 | 138.5 | -170.9 | 30.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 174 | S | 30 | Very low | 37.2 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | 77.3 | 144.2 | 158 | -62.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 175 | L | 26.9 | Very low | 35.6 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -96.1 | 160.3 | -180 | -75.1 | 84.6 | 0 | 0 | 0 | 112.1 | ||||
| 176 | K | 29.1 | Very low | 34.2 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | trans | 52.1 | 126.6 | 147.8 | -69.4 | 164.2 | 179.1 | 177 | 0 | 117.9 | ||||
| 177 | Y | 30.1 | Very low | 33.1 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | 178.3 | 147.5 | 119.1 | -98.9 | -63.8 | 0 | 0 | 0 | 113.6 | |||||
| 178 | L | 32.4 | Very low | 32 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | 73.2 | 172.5 | 153.9 | -67.1 | 167 | 0 | 0 | 0 | 120.2 | ||||
| 179 | Q | 28.4 | Very low | 31.2 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -155.6 | 158.6 | -137.9 | -160.3 | 175.5 | -12.3 | 0 | 0 | 111.4 | ||||
| 180 | S | 28.6 | Very low | 30.5 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | trans | 59.9 | 128.9 | 155.7 | 61.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 181 | N | 29.9 | Very low | 29.7 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | 177.5 | 167.1 | 99.1 | -91.5 | -39.7 | 0 | 0 | 0 | 114.4 | |||||
| 182 | A | 30.8 | Very low | 29.5 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | 65.6 | 108.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 183 | E | 29.7 | Very low | 29.2 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | 86.5 | 138.1 | 69.7 | -78.8 | 178.9 | -150.9 | 0 | 0 | 113.2 | |||||
| 184 | S | 28.6 | Very low | 29.1 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | cis | -164.3 | 168.6 | -1.2 | -120.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 185 | Q | 30.1 | Very low | 28.9 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 68.6 | 108.2 | 171.1 | -60.9 | 164.1 | 43.7 | 0 | 0 | 115.9 | ||||
| 186 | T | 28.1 | Very low | 28.8 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | 64.7 | 129.2 | 57.5 | 77.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 187 | T | 31.7 | Very low | 28.6 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | cis | -161.3 | 177.4 | 42.2 | 48.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 188 | N | 30.4 | Very low | 28.3 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | cis | -164.3 | 169.2 | -34.8 | -95.2 | -11.9 | 0 | 0 | 0 | 109.1 | ||||
| 189 | T | 29.8 | Very low | 28.1 | Very low | 137 Ų | 137 | 139 Ų | 139 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | 70.7 | 142.2 | 166.9 | 69.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 190 | S | 29.5 | Very low | 28 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | cis | -167.6 | 155.2 | -25.8 | 47 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 191 | T | 27.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | 69.9 | 91.8 | 152.4 | 38.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 192 | S | 27.5 | Very low | 28.1 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 66.2 | 114 | 118.1 | 67.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 193 | K | 25.2 | Very low | 28.5 | Very low | 203 Ų | 203 | 140 Ų | 140 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | -165.4 | 145 | 90.1 | -98.8 | 174.2 | -178.9 | 176.9 | 0 | 111.3 | |||||
| 194 | P | 26.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -96.6 | 143 | -177.5 | 36.2 | -33.1 | 0 | 0 | 0 | 113.7 | ||||
| 195 | V | 25.3 | Very low | 30.9 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | trans | -138.7 | 150.8 | 160.8 | -179 | 0 | 0 | 0 | 0 | 107.3 | E197 | V195-E197 PolarHBondContact O-N 3.31Š| ||
| 196 | Q | 24.6 | Very low | 32.1 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 126.9 | -169.2 | -64.3 | 157.3 | -76.1 | 0 | 0 | 113.1 | ||
| 197 | E | 25.1 | Very low | 33.5 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 135.6 | 162.2 | -66 | -175 | 142.6 | 0 | 0 | 109.5 | V195 | V195-E197 PolarHBondContact O-N 3.31Š|
| 198 | Q | 23.7 | Very low | 35 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 145.2 | 169.2 | -71.4 | -178.3 | -50.4 | 0 | 0 | 109.4 | ||
| 199 | P | 27.9 | Very low | 36.9 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 145.6 | 178.7 | 29 | -35.1 | 0 | 0 | 0 | 111.3 | ||
| 200 | L | 27 | Very low | 39 | Very low | 168 Ų | 168 | 119.9 Ų | 119.9 | 88% | 0.88 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 132 | 175.9 | -74.4 | 74.8 | 0 | 0 | 0 | 110.2 | T202 | L200-T202 PolarHBondContact O-N 2.96Š|
| 201 | N | 31.2 | Very low | 41.1 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 87% | 0.866 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.5 | 172.8 | -80.9 | -12.1 | 0 | 0 | 0 | 110.8 | ||
| 202 | T | 30.1 | Very low | 43.4 | Very low | 131 Ų | 131 | 119 Ų | 119 | 80% | 0.804 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 124.2 | 174.4 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | L200 S204 | L200-T202 PolarHBondContact O-N 2.96Å; T202-S204 PolarHBondContact O-N 3.19Å |
| 203 | G | 39.2 | Very low | 45.8 | Very low | 60 Ų | 60 | 114.4 Ų | 114.4 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | trans | -77.1 | 112 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 204 | S | 50.6 | Low | 48.4 | Very low | 68 Ų | 68 | 107.4 Ų | 107.4 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | trans | -81 | 153.6 | 171.1 | 88.3 | 0 | 0 | 0 | 0 | 111.5 | T202 H206 | T202-S204 PolarHBondContact O-N 3.19Å; S204-H206 VanDerWaalsContact C-N 3.27Å; S204-H206 PolarHBondContact O-N 3.04Å | ||
| 205 | L | 58.4 | Low | 51 | Low | 11 Ų | 11 | 103 Ų | 103 | 6% | 0.058 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -80.7 | -3.1 | -177.2 | -118.4 | 136.3 | 0 | 0 | 0 | 114.2 | H161 E207 I208 L213 F237 L241 | H161-L205 HydrophobicContact CB-CD1 3.75Å; H161-L205 VanDerWaalsContact CG-CD1 3.5Å; L205-E207 PolarHBondContact O-N 3.43Å; L205-I208 HydrophobicContact CB-CD1 4.19Å; L205-I208 HydrophobicContact CD2-CD1 3.49Å; L205-I208 VanDerWaalsContact CD2-CD1 3.49Å; L205-I208 HydrophobicContact CG-CD1 3.54Å; L205-L213 HydrophobicContact CD2-CD1 4.17Å; L205-F237 HydrophobicContact CD1-CE2 4.26Å; L205-L241 HydrophobicContact CD2-CD2 4.43Å |
| 206 | H | 55.4 | Low | 53.6 | Low | 128 Ų | 128 | 96.7 Ų | 96.7 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -76.7 | -14.8 | -172.4 | -86.6 | 23 | 0 | 0 | 0 | 115.8 | S204 E244 | S204-H206 VanDerWaalsContact C-N 3.27Å; S204-H206 PolarHBondContact O-N 3.04Å; H206-E244 IonicContact CE1-OE1 3.38Å; H206-E244 PolarHBondContact CE1-OE1 3.31Å; H206-E244 IonicContact ND1-OE1 3.52Å |
| 207 | E | 56.1 | Low | 56.2 | Low | 186 Ų | 186 | 87.8 Ų | 87.8 | 87% | 0.869 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -101.4 | 7.8 | -178.7 | -62.4 | -171.5 | 149.4 | 0 | 0 | 113.6 | L205 | L205-E207 PolarHBondContact O-N 3.43Š|
| 208 | I | 64.3 | Low | 58.8 | Low | 28 Ų | 28 | 80 Ų | 80 | 14% | 0.144 | 43% | 0.434 | C | S | . | . | trans | -82.1 | 133.4 | -172.5 | -74.3 | 155.8 | 0 | 0 | 0 | 111.9 | F125 L205 T210 L212 L213 | F125-I208 HydrophobicContact CD1-CD1 4.28Å; F125-I208 HydrophobicContact CD1-CG1 4.17Å; F125-I208 HydrophobicContact CD2-CD1 3.36Å; F125-I208 HydrophobicContact CD2-CG1 4.11Å; F125-I208 HydrophobicContact CE1-CD1 4.28Å; F125-I208 HydrophobicContact CE1-CG1 3.98Å; F125-I208 HydrophobicContact CE1-CG2 4.1Å; F125-I208 HydrophobicContact CE2-CD1 3.36Å; F125-I208 HydrophobicContact CE2-CG1 3.9Å; F125-I208 HydrophobicContact CE2-CG2 3.9Å; F125-I208 HydrophobicContact CG-CD1 3.85Å; F125-I208 HydrophobicContact CG-CG1 4.24Å; F125-I208 HydrophobicContact CZ-CB 4.3Å; F125-I208 HydrophobicContact CZ-CD1 3.86Å; F125-I208 HydrophobicContact CZ-CG1 3.84Å; F125-I208 HydrophobicContact CZ-CG2 3.44Å; F125-I208 VanDerWaalsContact CZ-CG2 3.44Å; L205-I208 HydrophobicContact CB-CD1 4.19Å; L205-I208 HydrophobicContact CD2-CD1 3.49Å; L205-I208 VanDerWaalsContact CD2-CD1 3.49Å; L205-I208 HydrophobicContact CG-CD1 3.54Å; I208-T210 PolarHBondContact O-N 3.25Å; I208-L212 HydrophobicContact CG2-CB 4.38Å; I208-L213 HydrophobicContact CG2-CB 4.17Å | ||
| 209 | S | 69.8 | Low | 61.3 | Low | 50 Ų | 50 | 72 Ų | 72 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | trans | -63.6 | 135.4 | 173.9 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | Y211 L212 L213 | S209-Y211 PolarHBondContact O-N 3.05Å; S209-L212 PolarHBondContact O-N 3.35Å; S209-L212 WeakPolarHBondContact OG-CG 3.34Å; S209-L213 PolarHBondContact O-N 2.82Å | ||
| 210 | T | 74 | Confident | 63.6 | Low | 61 Ų | 61 | 66.5 Ų | 66.5 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -40.7 | -42.3 | 177.4 | -47.3 | 0 | 0 | 0 | 0 | 113.8 | I208 H214 L254 | I208-T210 PolarHBondContact O-N 3.25Å; T210-H214 PolarHBondContact O-N 3.06Å; T210-H214 VanDerWaalsContact O-N 3.08Å; T210-L254 HydrophobicContact CG2-CD1 3.3Å |
| 211 | Y | 73.6 | Confident | 65.7 | Low | 182 Ų | 182 | 62.8 Ų | 62.8 | 71% | 0.714 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.1 | -33.8 | -177.5 | -58.9 | -73.4 | 0 | 0 | 0 | 113.8 | S209 F215 | S209-Y211 PolarHBondContact O-N 3.05Å; Y211-F215 WeakPolarHBondContact O-CB 3.4Å; Y211-F215 PolarHBondContact O-N 3.32Å |
| 212 | L | 75.1 | Confident | 67.4 | Low | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -79.5 | -31.5 | 178.6 | -65 | 176.6 | 0 | 0 | 0 | 112.2 | L82 F87 F125 V129 I208 S209 F215 I216 | L82-L212 VanDerWaalsContact O-CD1 3.31Å; L82-L212 WeakPolarHBondContact O-CD1 3.47Å; L82-L212 WeakPolarHBondContact O-CD2 3.27Å; F87-L212 HydrophobicContact CE1-CD2 4.28Å; F87-L212 HydrophobicContact CZ-CD2 4.33Å; F125-L212 HydrophobicContact CE1-CB 4.09Å; F125-L212 HydrophobicContact CE1-CD1 4.08Å; F125-L212 HydrophobicContact CZ-CB 3.82Å; V129-L212 HydrophobicContact CG1-CD2 4.14Å; I208-L212 HydrophobicContact CG2-CB 4.38Å; S209-L212 PolarHBondContact O-N 3.35Å; S209-L212 WeakPolarHBondContact OG-CG 3.34Å; L212-F215 PolarHBondContact O-N 3.49Å; L212-I216 WeakPolarHBondContact O-CG1 3.21Å; L212-I216 PolarHBondContact O-N 3.4Å; L212-I216 VanDerWaalsContact O-N 3.09Å |
| 213 | L | 78 | Confident | 69.1 | Low | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 169 | -175.5 | 61.5 | 0 | 0 | 0 | 110.7 | L205 I208 S209 I216 L217 L241 Y245 L254 | L205-L213 HydrophobicContact CD2-CD1 4.17Å; I208-L213 HydrophobicContact CG2-CB 4.17Å; S209-L213 PolarHBondContact O-N 2.82Å; L213-I216 PolarHBondContact O-N 2.67Å; L213-L217 HydrophobicContact CD1-CD1 4.33Å; L213-L217 HydrophobicContact CG-CD1 4.03Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 VanDerWaalsContact O-CG 3.32Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.93Å; L213-L241 HydrophobicContact CD1-CD1 4.2Å; L213-L241 HydrophobicContact CD1-CD2 4.19Å; L213-L241 HydrophobicContact CD2-CD2 4.36Å; L213-Y245 HydrophobicContact CD2-CD2 4.46Å; L213-Y245 HydrophobicContact CD2-CE2 3.84Å; L213-L254 HydrophobicContact CD2-CD2 4.2Å; L213-L254 HydrophobicContact CG-CD2 4.17Å |
| 214 | H | 80.6 | Confident | 70.1 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 26% | 0.255 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 171.1 | 178.1 | -77 | 0 | 0 | 0 | 111.8 | T210 I216 L217 S218 V253 L257 | T210-H214 PolarHBondContact O-N 3.06Å; T210-H214 VanDerWaalsContact O-N 3.08Å; H214-I216 PolarHBondContact O-N 2.89Å; H214-L217 PolarHBondContact O-N 3.47Å; H214-S218 PolarHBondContact O-N 3.12Å; H214-S218 PolarHBondContact O-OG 3.47Å; H214-V253 VanDerWaalsContact CD2-CG1 3.48Å; H214-V253 WeakPolarHBondContact CD2-CG1 3.32Å; H214-V253 PolarHBondContact CD2-O 3.37Å; H214-L257 WeakPolarHBondContact CD2-CD1 3.45Å |
| 215 | F | 81.6 | Confident | 70.5 | Confident | 30 Ų | 30 | 62 Ų | 62 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 179.5 | -178.3 | -99.9 | 0 | 0 | 0 | 112.6 | F87 V88 L132 Y211 L212 S218 H219 | F87-F215 HydrophobicContact CE1-CD2 4.34Å; F87-F215 HydrophobicContact CE1-CE2 4.24Å; F87-F215 HydrophobicContact CE1-CZ 4.41Å; F87-F215 HydrophobicContact CZ-CD1 4.05Å; F87-F215 HydrophobicContact CZ-CD2 4.3Å; F87-F215 AromaticContact CZ-CE1 3.74Å; F87-F215 HydrophobicContact CZ-CE1 3.74Å; F87-F215 HydrophobicContact CZ-CE2 4Å; F87-F215 HydrophobicContact CZ-CG 4.33Å; F87-F215 AromaticContact CZ-CZ 3.72Å; F87-F215 HydrophobicContact CZ-CZ 3.72Å; V88-F215 HydrophobicContact CG2-CE2 3.75Å; V88-F215 HydrophobicContact CG2-CZ 3.81Å; L132-F215 HydrophobicContact CB-CE1 3.75Å; L132-F215 HydrophobicContact CB-CZ 4.38Å; L132-F215 HydrophobicContact CD1-CE1 4.38Å; Y211-F215 WeakPolarHBondContact O-CB 3.4Å; Y211-F215 PolarHBondContact O-N 3.32Å; L212-F215 PolarHBondContact O-N 3.49Å; F215-S218 WeakPolarHBondContact CA-OG 3.25Å; F215-S218 PolarHBondContact O-OG 3.45Å; F215-H219 AromaticContact CD2-CE1 3.79Å; F215-H219 AromaticContact CE1-CE1 3.94Å; F215-H219 AromaticContact CE2-CE1 3.32Å; F215-H219 WeakPolarHBondContact CE2-CE1 3.5Å; F215-H219 AromaticContact CZ-CE1 3.4Å; F215-H219 WeakPolarHBondContact CZ-CE1 3.34Å; F215-H219 AromaticContact CZ-NE2 3.91Å; F215-H219 PolarHBondContact O-N 3Å; F215-H219 PolarHBondContact O-ND1 3.27Å |
| 216 | I | 79.5 | Confident | 70.7 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 176.2 | -66.2 | 169.4 | 0 | 0 | 0 | 110.9 | F125 V129 L132 L212 L213 H214 S218 H219 L220 | F125-I216 HydrophobicContact CD2-CD1 3.96Å; F125-I216 HydrophobicContact CE2-CD1 3.24Å; F125-I216 HydrophobicContact CZ-CD1 3.67Å; V129-I216 HydrophobicContact CG2-CD1 3.9Å; V129-I216 HydrophobicContact CG2-CG1 4.25Å; L132-I216 HydrophobicContact CD1-CB 4.45Å; L132-I216 HydrophobicContact CD1-CG1 3.89Å; L212-I216 WeakPolarHBondContact O-CG1 3.21Å; L212-I216 PolarHBondContact O-N 3.4Å; L212-I216 VanDerWaalsContact O-N 3.09Å; L213-I216 PolarHBondContact O-N 2.67Å; H214-I216 PolarHBondContact O-N 2.89Å; I216-S218 VanDerWaalsContact C-N 3.35Å; I216-S218 PolarHBondContact O-N 3Å; I216-H219 PolarHBondContact O-N 3.27Å; I216-L220 HydrophobicContact CG2-CD1 3.86Å; I216-L220 HydrophobicContact CG2-CG 4.29Å; I216-L220 WeakPolarHBondContact O-CB 3.21Å; I216-L220 WeakPolarHBondContact O-CG 3.35Å; I216-L220 PolarHBondContact O-N 3.27Å |
| 217 | L | 78.6 | Confident | 71.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 179.4 | -72.6 | 169.8 | 0 | 0 | 0 | 112.7 | L213 H214 L220 Y221 L241 L254 L257 L258 | L213-L217 HydrophobicContact CD1-CD1 4.33Å; L213-L217 HydrophobicContact CG-CD1 4.03Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 VanDerWaalsContact O-CG 3.32Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 2.93Å; H214-L217 PolarHBondContact O-N 3.47Å; L217-L220 HydrophobicContact CD2-CD1 4.29Å; L217-L220 PolarHBondContact O-N 2.99Å; L217-Y221 WeakPolarHBondContact O-CD2 3.49Å; L217-Y221 PolarHBondContact O-N 3.11Å; L217-L241 HydrophobicContact CD1-CD1 4.42Å; L217-L241 HydrophobicContact CD2-CD1 4.02Å; L217-L254 HydrophobicContact CD1-CD2 3.61Å; L217-L257 HydrophobicContact CB-CD1 3.85Å; L217-L258 HydrophobicContact CD1-CD2 4.08Å |
| 218 | S | 80 | Confident | 71.7 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174 | 39.1 | 0 | 0 | 0 | 0 | 112.3 | H214 F215 I216 L220 Y221 E222 | H214-S218 PolarHBondContact O-N 3.12Å; H214-S218 PolarHBondContact O-OG 3.47Å; F215-S218 WeakPolarHBondContact CA-OG 3.25Å; F215-S218 PolarHBondContact O-OG 3.45Å; I216-S218 VanDerWaalsContact C-N 3.35Å; I216-S218 PolarHBondContact O-N 3Å; S218-L220 VanDerWaalsContact C-N 3.3Å; S218-L220 PolarHBondContact O-N 3.23Å; S218-Y221 PolarHBondContact O-N 2.93Å; S218-Y221 VanDerWaalsContact O-N 3.14Å; S218-E222 WeakPolarHBondContact O-CG 3.49Å; S218-E222 PolarHBondContact O-N 2.83Å |
| 219 | H | 76.2 | Confident | 72 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 177.7 | -71.2 | 73 | 0 | 0 | 0 | 112.4 | L132 H136 F215 I216 D223 Y227 | L132-H219 HydrophobicContact CD1-CB 4.41Å; L132-H219 HydrophobicContact CD2-CB 3.92Å; H136-H219 AromaticContact CD2-NE2 3.76Å; H136-H219 AromaticContact CE1-NE2 3.91Å; H136-H219 AromaticContact NE2-CD2 3.86Å; H136-H219 AromaticContact NE2-CE1 3.84Å; H136-H219 AromaticContact NE2-NE2 2.89Å; H136-H219 PolarHBondContact NE2-NE2 2.86Å; F215-H219 AromaticContact CD2-CE1 3.79Å; F215-H219 AromaticContact CE1-CE1 3.94Å; F215-H219 AromaticContact CE2-CE1 3.32Å; F215-H219 WeakPolarHBondContact CE2-CE1 3.5Å; F215-H219 AromaticContact CZ-CE1 3.4Å; F215-H219 WeakPolarHBondContact CZ-CE1 3.34Å; F215-H219 AromaticContact CZ-NE2 3.91Å; F215-H219 PolarHBondContact O-N 3Å; F215-H219 PolarHBondContact O-ND1 3.27Å; I216-H219 PolarHBondContact O-N 3.27Å; H219-D223 PolarHBondContact O-N 3.38Å; H219-Y227 HydrophobicContact CB-CE2 4.49Å |
| 220 | L | 75.5 | Confident | 72 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -37 | 172.4 | -76.6 | 172.7 | 0 | 0 | 0 | 112.7 | L154 I216 L217 S218 V224 L229 L234 F237 | L154-L220 HydrophobicContact CD2-CD2 3.89Å; I216-L220 HydrophobicContact CG2-CD1 3.86Å; I216-L220 HydrophobicContact CG2-CG 4.29Å; I216-L220 WeakPolarHBondContact O-CB 3.21Å; I216-L220 WeakPolarHBondContact O-CG 3.35Å; I216-L220 PolarHBondContact O-N 3.27Å; L217-L220 HydrophobicContact CD2-CD1 4.29Å; L217-L220 PolarHBondContact O-N 2.99Å; S218-L220 VanDerWaalsContact C-N 3.3Å; S218-L220 PolarHBondContact O-N 3.23Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-L229 HydrophobicContact CD2-CD1 3.49Å; L220-L229 VanDerWaalsContact CD2-CD1 3.49Å; L220-L234 HydrophobicContact CB-CD1 4.39Å; L220-L234 HydrophobicContact CD1-CD1 4.17Å; L220-L234 HydrophobicContact CD2-CD1 4.28Å; L220-F237 HydrophobicContact CD1-CD1 4.42Å; L220-F237 HydrophobicContact CD1-CE1 4.09Å |
| 221 | Y | 71.5 | Confident | 71.7 | Confident | 90 Ų | 90 | 55.5 Ų | 55.5 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -80 | -23.1 | 177.6 | -80.7 | -59.6 | 0 | 0 | 0 | 113.7 | L217 S218 I238 L257 | L217-Y221 WeakPolarHBondContact O-CD2 3.49Å; L217-Y221 PolarHBondContact O-N 3.11Å; S218-Y221 PolarHBondContact O-N 2.93Å; S218-Y221 VanDerWaalsContact O-N 3.14Å; Y221-I238 HydrophobicContact CE1-CD1 4.43Å; Y221-L257 HydrophobicContact CD2-CD2 4.09Å; Y221-L257 HydrophobicContact CE2-CB 4.17Å; Y221-L257 HydrophobicContact CE2-CD2 4.21Å; Y221-L257 WeakPolarHBondContact CE2-O 3.22Å; Y221-L257 PolarHBondContact OH-O 2.92Å |
| 222 | E | 67.9 | Low | 71.6 | Confident | 144 Ų | 144 | 52.4 Ų | 52.4 | 67% | 0.673 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -75.8 | -41.8 | 178.1 | -77.7 | 175.2 | 179.5 | 0 | 0 | 113.3 | S218 | S218-E222 WeakPolarHBondContact O-CG 3.49Å; S218-E222 PolarHBondContact O-N 2.83Å |
| 223 | D | 64.5 | Low | 71.5 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | trans | -152.6 | 65.8 | -168.9 | -163.4 | 4.1 | 0 | 0 | 0 | 114 | K147 H219 E225 H226 Y227 | K147-D223 IonicContact NZ-OD2 2.78Å; H219-D223 PolarHBondContact O-N 3.38Å; D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 3.15Å; D223-H226 PolarHBondContact O-N 3.3Å; D223-H226 IonicContact OD1-CE1 3.09Å; D223-H226 IonicContact OD1-CG 2.7Å; D223-H226 IonicContact OD1-ND1 2.69Å; D223-H226 PolarHBondContact OD1-ND1 3.17Å; D223-H226 WeakPolarHBondContact OD2-CB 3.48Å; D223-H226 IonicContact OD2-CE1 3.71Å; D223-H226 IonicContact OD2-CG 3.28Å; D223-H226 IonicContact OD2-ND1 2.78Å; D223-H226 PolarHBondContact OD2-ND1 3.26Å; D223-Y227 HydrophobicContact CB-CE2 4.32Å; D223-Y227 VanDerWaalsContact O-CD2 3.23Å; D223-Y227 WeakPolarHBondContact O-CD2 3.19Å | ||
| 224 | V | 60.3 | Low | 71.3 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -52.3 | -45.4 | -176.2 | -177.8 | 0 | 0 | 0 | 0 | 113 | L220 H226 Y227 L234 | L220-V224 WeakPolarHBondContact O-CG2 3.42Å; V224-H226 VanDerWaalsContact C-N 3.34Å; V224-H226 PolarHBondContact O-N 3.34Å; V224-Y227 PolarHBondContact O-N 3.19Å; V224-L234 HydrophobicContact CG1-CD2 4.02Å; V224-L234 HydrophobicContact CG2-CD2 3.82Å |
| 225 | E | 59.4 | Low | 70.9 | Confident | 176 Ų | 176 | 57 Ų | 57 | 82% | 0.822 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -66.3 | -32.5 | -170.5 | -63.5 | -170 | 166.5 | 0 | 0 | 112.9 | D223 Y227 | D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 3.15Å; E225-Y227 PolarHBondContact O-N 3.07Å |
| 226 | H | 62 | Low | 70.7 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -81 | -10.4 | -174.5 | -75.1 | 91.9 | 0 | 0 | 0 | 114.8 | D223 V224 | D223-H226 PolarHBondContact O-N 3.3Å; D223-H226 IonicContact OD1-CE1 3.09Å; D223-H226 IonicContact OD1-CG 2.7Å; D223-H226 IonicContact OD1-ND1 2.69Å; D223-H226 PolarHBondContact OD1-ND1 3.17Å; D223-H226 WeakPolarHBondContact OD2-CB 3.48Å; D223-H226 IonicContact OD2-CE1 3.71Å; D223-H226 IonicContact OD2-CG 3.28Å; D223-H226 IonicContact OD2-ND1 2.78Å; D223-H226 PolarHBondContact OD2-ND1 3.26Å; V224-H226 VanDerWaalsContact C-N 3.34Å; V224-H226 PolarHBondContact O-N 3.34Å |
| 227 | Y | 68.3 | Low | 70.6 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -106.9 | 7.6 | -176.2 | -64.2 | -63 | 0 | 0 | 0 | 114.9 | L132 T135 V150 L154 H219 D223 V224 E225 L229 | L132-Y227 HydrophobicContact CD2-CD1 4.42Å; L132-Y227 HydrophobicContact CD2-CE1 3.74Å; L132-Y227 HydrophobicContact CD2-CE2 4.41Å; T135-Y227 HydrophobicContact CG2-CE1 4.38Å; V150-Y227 HydrophobicContact CB-CD1 3.95Å; V150-Y227 HydrophobicContact CB-CE1 4.24Å; V150-Y227 HydrophobicContact CG1-CD1 3.43Å; V150-Y227 VanDerWaalsContact CG1-CD1 3.43Å; V150-Y227 HydrophobicContact CG1-CE1 3.93Å; V150-Y227 HydrophobicContact CG1-CG 4.23Å; L154-Y227 HydrophobicContact CD2-CG 4.49Å; H219-Y227 HydrophobicContact CB-CE2 4.49Å; D223-Y227 HydrophobicContact CB-CE2 4.32Å; D223-Y227 VanDerWaalsContact O-CD2 3.23Å; D223-Y227 WeakPolarHBondContact O-CD2 3.19Å; V224-Y227 PolarHBondContact O-N 3.19Å; E225-Y227 PolarHBondContact O-N 3.07Å; Y227-L229 PolarHBondContact O-N 3.2Å |
| 228 | G | 65.7 | Low | 70.6 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 18.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 229 | L | 69.8 | Low | 70.4 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | trans | -96.9 | 153.1 | 169.1 | -67 | 172.2 | 0 | 0 | 0 | 110.1 | L154 P155 V158 L220 Y227 I233 | L154-L229 HydrophobicContact CD2-CD1 3.78Å; L154-L229 HydrophobicContact CD2-CG 4.24Å; L154-L229 HydrophobicContact CG-CD1 4.02Å; L154-L229 HydrophobicContact CG-CG 4.42Å; P155-L229 HydrophobicContact CB-CD2 4.33Å; P155-L229 HydrophobicContact CG-CD2 4.25Å; V158-L229 HydrophobicContact CB-CD2 4.38Å; V158-L229 HydrophobicContact CG2-CD1 4.45Å; V158-L229 HydrophobicContact CG2-CD2 4.27Å; L220-L229 HydrophobicContact CD2-CD1 3.49Å; L220-L229 VanDerWaalsContact CD2-CD1 3.49Å; Y227-L229 PolarHBondContact O-N 3.2Å; L229-I233 HydrophobicContact CD2-CG2 4Å | ||
| 230 | S | 69.5 | Low | 70.4 | Confident | 55 Ų | 55 | 62 Ų | 62 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | trans | -103.2 | 151 | 167.1 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | N232 I233 L234 | S230-N232 PolarHBondContact O-N 2.85Å; S230-N232 VanDerWaalsContact O-N 3.08Å; S230-I233 WeakPolarHBondContact O-CA 3.4Å; S230-I233 WeakPolarHBondContact O-CB 3.34Å; S230-I233 PolarHBondContact O-N 3.28Å; S230-L234 PolarHBondContact O-N 2.95Å | ||
| 231 | D | 68.9 | Low | 70.5 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -48.3 | -40.9 | -177.9 | -56.6 | -12.5 | 0 | 0 | 0 | 113 | I233 L234 L235 | D231-I233 VanDerWaalsContact C-N 3.34Å; D231-I233 PolarHBondContact O-N 3.22Å; D231-L234 PolarHBondContact O-N 3.42Å; D231-L235 WeakPolarHBondContact O-CB 3.44Å; D231-L235 VanDerWaalsContact O-CG 3.29Å; D231-L235 WeakPolarHBondContact O-CG 3.36Å; D231-L235 PolarHBondContact O-N 3.33Å |
| 232 | N | 70.2 | Confident | 70.8 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | 178.2 | -64.8 | -45.3 | 0 | 0 | 0 | 112.6 | S230 N236 | S230-N232 PolarHBondContact O-N 2.85Å; S230-N232 VanDerWaalsContact O-N 3.08Å; N232-N236 WeakPolarHBondContact O-CB 3.48Å; N232-N236 PolarHBondContact O-N 3.2Å; N232-N236 VanDerWaalsContact O-N 3.13Å; N232-N236 PolarHBondContact O-ND2 3.03Å |
| 233 | I | 73.6 | Confident | 71.1 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 35% | 0.354 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74.4 | -39.6 | 177 | -62.7 | 173.6 | 0 | 0 | 0 | 109.9 | V158 L162 L229 S230 D231 N236 F237 | V158-I233 HydrophobicContact CG1-CG2 3.65Å; L162-I233 HydrophobicContact CD1-CG2 4.49Å; L229-I233 HydrophobicContact CD2-CG2 4Å; S230-I233 WeakPolarHBondContact O-CA 3.4Å; S230-I233 WeakPolarHBondContact O-CB 3.34Å; S230-I233 PolarHBondContact O-N 3.28Å; D231-I233 VanDerWaalsContact C-N 3.34Å; D231-I233 PolarHBondContact O-N 3.22Å; I233-N236 PolarHBondContact O-N 3.41Å; I233-F237 WeakPolarHBondContact O-CB 3.33Å; I233-F237 PolarHBondContact O-N 3.46Å |
| 234 | L | 73.3 | Confident | 71.4 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.2 | -179.9 | 60.7 | 0 | 0 | 0 | 111.7 | L220 V224 S230 D231 F237 I238 | L220-L234 HydrophobicContact CB-CD1 4.39Å; L220-L234 HydrophobicContact CD1-CD1 4.17Å; L220-L234 HydrophobicContact CD2-CD1 4.28Å; V224-L234 HydrophobicContact CG1-CD2 4.02Å; V224-L234 HydrophobicContact CG2-CD2 3.82Å; S230-L234 PolarHBondContact O-N 2.95Å; D231-L234 PolarHBondContact O-N 3.42Å; L234-F237 PolarHBondContact O-N 3.02Å; L234-I238 HydrophobicContact CD1-CD1 3.99Å; L234-I238 HydrophobicContact CD1-CG1 4.34Å; L234-I238 HydrophobicContact CG-CD1 3.92Å; L234-I238 WeakPolarHBondContact O-CG1 3.1Å; L234-I238 PolarHBondContact O-N 3.09Å |
| 235 | L | 72.9 | Confident | 71.9 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 175.6 | -73.1 | 169.5 | 0 | 0 | 0 | 111.6 | D231 F237 I238 D239 | D231-L235 WeakPolarHBondContact O-CB 3.44Å; D231-L235 VanDerWaalsContact O-CG 3.29Å; D231-L235 WeakPolarHBondContact O-CG 3.36Å; D231-L235 PolarHBondContact O-N 3.33Å; L235-F237 VanDerWaalsContact C-N 3.28Å; L235-F237 PolarHBondContact O-N 3.41Å; L235-I238 PolarHBondContact O-N 3.23Å; L235-D239 WeakPolarHBondContact O-CB 3.46Å; L235-D239 PolarHBondContact O-N 3.3Å |
| 236 | N | 76.5 | Confident | 72.2 | Confident | 98 Ų | 98 | 54.8 Ų | 54.8 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 175.2 | -74.9 | -20.9 | 0 | 0 | 0 | 112.5 | L162 N232 I233 S240 | L162-N236 HydrophobicContact CD1-CB 4.47Å; L162-N236 HydrophobicContact CD2-CB 4.29Å; N232-N236 WeakPolarHBondContact O-CB 3.48Å; N232-N236 PolarHBondContact O-N 3.2Å; N232-N236 VanDerWaalsContact O-N 3.13Å; N232-N236 PolarHBondContact O-ND2 3.03Å; I233-N236 PolarHBondContact O-N 3.41Å; N236-S240 WeakPolarHBondContact O-CB 3.08Å; N236-S240 PolarHBondContact O-N 3.22Å |
| 237 | F | 78.5 | Confident | 72.3 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69 | -45.4 | 175.8 | -179.7 | -118.1 | 0 | 0 | 0 | 112.2 | V158 H161 L205 L220 I233 L234 L235 D239 S240 L241 | V158-F237 HydrophobicContact CG1-CB 3.87Å; V158-F237 HydrophobicContact CG1-CD2 3.94Å; V158-F237 HydrophobicContact CG1-CG 3.99Å; V158-F237 HydrophobicContact CG2-CD1 4.38Å; V158-F237 HydrophobicContact CG2-CD2 4.18Å; V158-F237 HydrophobicContact CG2-CE1 4.5Å; V158-F237 HydrophobicContact CG2-CE2 4.31Å; V158-F237 HydrophobicContact CG2-CG 4.22Å; V158-F237 HydrophobicContact CG2-CZ 4.46Å; H161-F237 AromaticContact ND1-CD2 3.69Å; H161-F237 AromaticContact ND1-CE2 3.56Å; L205-F237 HydrophobicContact CD1-CE2 4.26Å; L220-F237 HydrophobicContact CD1-CD1 4.42Å; L220-F237 HydrophobicContact CD1-CE1 4.09Å; I233-F237 WeakPolarHBondContact O-CB 3.33Å; I233-F237 PolarHBondContact O-N 3.46Å; L234-F237 PolarHBondContact O-N 3.02Å; L235-F237 VanDerWaalsContact C-N 3.28Å; L235-F237 PolarHBondContact O-N 3.41Å; F237-D239 VanDerWaalsContact C-N 3.34Å; F237-D239 PolarHBondContact O-N 3.21Å; F237-S240 WeakPolarHBondContact O-CB 3.33Å; F237-S240 PolarHBondContact O-N 3.05Å; F237-L241 HydrophobicContact CD1-CD1 4.14Å; F237-L241 HydrophobicContact CE1-CD1 3.73Å; F237-L241 HydrophobicContact CE2-CD1 4.31Å; F237-L241 HydrophobicContact CE2-CG 4.42Å; F237-L241 HydrophobicContact CZ-CD1 3.82Å; F237-L241 HydrophobicContact CZ-CG 4.39Å; F237-L241 WeakPolarHBondContact O-CG 3.5Å; F237-L241 PolarHBondContact O-N 2.97Å |
| 238 | I | 77.5 | Confident | 72 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.4 | -68.2 | 166.6 | 0 | 0 | 0 | 110.8 | Y221 L234 L235 S240 L241 R242 L258 | Y221-I238 HydrophobicContact CE1-CD1 4.43Å; L234-I238 HydrophobicContact CD1-CD1 3.99Å; L234-I238 HydrophobicContact CD1-CG1 4.34Å; L234-I238 HydrophobicContact CG-CD1 3.92Å; L234-I238 WeakPolarHBondContact O-CG1 3.1Å; L234-I238 PolarHBondContact O-N 3.09Å; L235-I238 PolarHBondContact O-N 3.23Å; I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 PolarHBondContact O-N 2.61Å; I238-L241 PolarHBondContact O-N 3.19Å; I238-R242 HydrophobicContact CG2-CG 4.44Å; I238-R242 WeakPolarHBondContact O-CB 3.01Å; I238-R242 VanDerWaalsContact O-CG 3.3Å; I238-R242 WeakPolarHBondContact O-CG 3.32Å; I238-R242 PolarHBondContact O-N 2.91Å; I238-L258 HydrophobicContact CG2-CD2 4.46Å |
| 239 | D | 76.4 | Confident | 71.8 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.9 | -20.6 | 176.6 | -79.4 | -8.7 | 0 | 0 | 0 | 113.5 | L235 F237 R242 K243 | L235-D239 WeakPolarHBondContact O-CB 3.46Å; L235-D239 PolarHBondContact O-N 3.3Å; F237-D239 VanDerWaalsContact C-N 3.34Å; F237-D239 PolarHBondContact O-N 3.21Å; D239-R242 VanDerWaalsContact OD1-CD 3.26Å; D239-R242 WeakPolarHBondContact OD1-CD 3.44Å; D239-R242 IonicContact OD1-CZ 2.7Å; D239-R242 IonicContact OD1-NE 3.25Å; D239-R242 IonicContact OD1-NH1 3.44Å; D239-R242 PolarHBondContact OD1-NH1 3.36Å; D239-K243 WeakPolarHBondContact O-CD 3.45Å; D239-K243 VanDerWaalsContact O-CE 3.25Å; D239-K243 WeakPolarHBondContact O-CE 3.41Å; D239-K243 VanDerWaalsContact O-CG 3.23Å; D239-K243 WeakPolarHBondContact O-CG 3.14Å |
| 240 | S | 77.2 | Confident | 71.6 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.9 | -50.6 | 165.3 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | H161 Y165 N236 F237 I238 R242 K243 E244 | H161-S240 PolarHBondContact CE1-OG 3.28Å; H161-S240 VanDerWaalsContact CE1-OG 3.22Å; Y165-S240 WeakPolarHBondContact CD2-OG 3.28Å; N236-S240 WeakPolarHBondContact O-CB 3.08Å; N236-S240 PolarHBondContact O-N 3.22Å; F237-S240 WeakPolarHBondContact O-CB 3.33Å; F237-S240 PolarHBondContact O-N 3.05Å; I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 PolarHBondContact O-N 2.61Å; S240-R242 VanDerWaalsContact C-N 3.33Å; S240-R242 PolarHBondContact O-N 2.95Å; S240-K243 WeakPolarHBondContact O-CB 3.48Å; S240-K243 PolarHBondContact O-N 3.19Å; S240-E244 PolarHBondContact O-N 2.86Å |
| 241 | L | 76.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -36.4 | 177.6 | -67.6 | 172.8 | 0 | 0 | 0 | 112.9 | L205 L213 L217 F237 I238 K243 E244 Y245 L258 | L205-L241 HydrophobicContact CD2-CD2 4.43Å; L213-L241 HydrophobicContact CD1-CD1 4.2Å; L213-L241 HydrophobicContact CD1-CD2 4.19Å; L213-L241 HydrophobicContact CD2-CD2 4.36Å; L217-L241 HydrophobicContact CD1-CD1 4.42Å; L217-L241 HydrophobicContact CD2-CD1 4.02Å; F237-L241 HydrophobicContact CD1-CD1 4.14Å; F237-L241 HydrophobicContact CE1-CD1 3.73Å; F237-L241 HydrophobicContact CE2-CD1 4.31Å; F237-L241 HydrophobicContact CE2-CG 4.42Å; F237-L241 HydrophobicContact CZ-CD1 3.82Å; F237-L241 HydrophobicContact CZ-CG 4.39Å; F237-L241 WeakPolarHBondContact O-CG 3.5Å; F237-L241 PolarHBondContact O-N 2.97Å; I238-L241 PolarHBondContact O-N 3.19Å; L241-K243 PolarHBondContact O-N 3.22Å; L241-E244 PolarHBondContact O-N 3.41Å; L241-Y245 HydrophobicContact CD2-CD2 4.32Å; L241-Y245 HydrophobicContact CD2-CE2 3.99Å; L241-Y245 WeakPolarHBondContact O-CD2 3.43Å; L241-Y245 PolarHBondContact O-N 2.6Å; L241-L258 HydrophobicContact CB-CD2 4.13Å; L241-L258 HydrophobicContact CD1-CD2 4.49Å |
| 242 | R | 77.5 | Confident | 71.5 | Confident | 70 Ų | 70 | 71 Ų | 71 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -27 | 172.8 | -75.7 | 165.2 | 170 | 162.2 | -0.9 | 113.4 | I238 D239 S240 L258 Y259 | I238-R242 HydrophobicContact CG2-CG 4.44Å; I238-R242 WeakPolarHBondContact O-CB 3.01Å; I238-R242 VanDerWaalsContact O-CG 3.3Å; I238-R242 WeakPolarHBondContact O-CG 3.32Å; I238-R242 PolarHBondContact O-N 2.91Å; D239-R242 VanDerWaalsContact OD1-CD 3.26Å; D239-R242 WeakPolarHBondContact OD1-CD 3.44Å; D239-R242 IonicContact OD1-CZ 2.7Å; D239-R242 IonicContact OD1-NE 3.25Å; D239-R242 IonicContact OD1-NH1 3.44Å; D239-R242 PolarHBondContact OD1-NH1 3.36Å; S240-R242 VanDerWaalsContact C-N 3.33Å; S240-R242 PolarHBondContact O-N 2.95Å; R242-L258 HydrophobicContact CG-CB 4.49Å; R242-L258 PolarHBondContact NE-O 2.98Å; R242-L258 PolarHBondContact NH2-O 3.42Å; R242-L258 VanDerWaalsContact NH2-O 3.09Å; R242-Y259 HydrophobicContact CB-CE1 4.42Å; R242-Y259 HydrophobicContact CG-CE1 4.07Å; R242-Y259 PolarHBondContact O-OH 2.89Å |
| 243 | K | 73.4 | Confident | 71.6 | Confident | 138 Ų | 138 | 68.7 Ų | 68.7 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -84.2 | -38.6 | 175.7 | -66.7 | 161.3 | -166.8 | 159.8 | 0 | 111.9 | Y165 D239 S240 L241 | Y165-K243 HydrophobicContact CE1-CB 4.46Å; Y165-K243 HydrophobicContact CE1-CD 4.18Å; Y165-K243 WeakPolarHBondContact OH-CB 3.3Å; D239-K243 WeakPolarHBondContact O-CD 3.45Å; D239-K243 VanDerWaalsContact O-CE 3.25Å; D239-K243 WeakPolarHBondContact O-CE 3.41Å; D239-K243 VanDerWaalsContact O-CG 3.23Å; D239-K243 WeakPolarHBondContact O-CG 3.14Å; S240-K243 WeakPolarHBondContact O-CB 3.48Å; S240-K243 PolarHBondContact O-N 3.19Å; L241-K243 PolarHBondContact O-N 3.22Å |
| 244 | E | 70.8 | Confident | 71.5 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 20% | 0.201 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -50.5 | 172.8 | -69.3 | -171.7 | 150.6 | 0 | 0 | 111.8 | H161 Y165 H206 S240 L241 S246 | H161-E244 IonicContact CD2-OE1 3.89Å; H161-E244 IonicContact CE1-OE1 3.67Å; H161-E244 IonicContact CE1-OE2 3.62Å; H161-E244 VanDerWaalsContact NE2-CD 3.31Å; H161-E244 IonicContact NE2-OE1 2.83Å; H161-E244 PolarHBondContact NE2-OE1 3Å; H161-E244 IonicContact NE2-OE2 3.35Å; H161-E244 PolarHBondContact NE2-OE2 3.48Å; Y165-E244 HydrophobicContact CE2-CG 3.61Å; H206-E244 IonicContact CE1-OE1 3.38Å; H206-E244 PolarHBondContact CE1-OE1 3.31Å; H206-E244 IonicContact ND1-OE1 3.52Å; S240-E244 PolarHBondContact O-N 2.86Å; L241-E244 PolarHBondContact O-N 3.41Å; E244-S246 PolarHBondContact O-N 2.52Å |
| 245 | Y | 71.2 | Confident | 71.4 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -103.1 | 77.7 | -173.3 | -59.8 | -93.7 | 0 | 0 | 0 | 111.7 | L213 L241 R247 L250 Y259 | L213-Y245 HydrophobicContact CD2-CD2 4.46Å; L213-Y245 HydrophobicContact CD2-CE2 3.84Å; L241-Y245 HydrophobicContact CD2-CD2 4.32Å; L241-Y245 HydrophobicContact CD2-CE2 3.99Å; L241-Y245 WeakPolarHBondContact O-CD2 3.43Å; L241-Y245 PolarHBondContact O-N 2.6Å; Y245-R247 PolarHBondContact O-N 2.91Å; Y245-L250 HydrophobicContact CD1-CD1 4.35Å; Y245-L250 HydrophobicContact CG-CD1 4.26Å; Y245-Y259 PolarHBondContact O-OH 3.42Å |
| 246 | S | 65.4 | Low | 71.3 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 28% | 0.28 | 33% | 0.331 | S | S | . | . | trans | -52.9 | 133.6 | 176 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | E244 S248 R249 | E244-S246 PolarHBondContact O-N 2.52Å; S246-S248 PolarHBondContact O-N 3.4Å; S246-R249 PolarHBondContact O-N 2.98Å; S246-R249 PolarHBondContact OG-NE 2.96Å | ||
| 247 | R | 64.7 | Low | 71.1 | Confident | 125 Ų | 125 | 63 Ų | 63 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -25.1 | -173.8 | -157.7 | 177.5 | -163.8 | 173.5 | 9.1 | 116.2 | Y245 Y259 | Y245-R247 PolarHBondContact O-N 2.91Å; R247-Y259 HydrophobicContact CB-CD2 4.31Å; R247-Y259 HydrophobicContact CB-CE2 3.86Å; R247-Y259 HydrophobicContact CG-CD2 3.89Å; R247-Y259 HydrophobicContact CG-CE2 3.97Å; R247-Y259 HydrophobicContact CG-CG 4.31Å |
| 248 | S | 61.4 | Low | 70.8 | Confident | 110 Ų | 110 | 62.6 Ų | 62.6 | 77% | 0.769 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.1 | 177.7 | 54.4 | 0 | 0 | 0 | 0 | 115.7 | S246 | S246-S248 PolarHBondContact O-N 3.4Š|
| 249 | R | 61.9 | Low | 70.5 | Confident | 217 Ų | 217 | 63.9 Ų | 63.9 | 82% | 0.819 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -122.1 | 7.1 | -179.3 | -52 | -176.2 | -158.4 | -170.8 | 5 | 113.2 | S246 | S246-R249 PolarHBondContact O-N 2.98Å; S246-R249 PolarHBondContact OG-NE 2.96Å |
| 250 | L | 65.4 | Low | 69.8 | Low | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | trans | -91.7 | 136.7 | -167.4 | -166.6 | 69.5 | 0 | 0 | 0 | 111.3 | Y245 L254 N255 L258 Y259 | Y245-L250 HydrophobicContact CD1-CD1 4.35Å; Y245-L250 HydrophobicContact CG-CD1 4.26Å; L250-L254 HydrophobicContact CD1-CB 3.54Å; L250-L254 HydrophobicContact CD1-CG 4.16Å; L250-L254 HydrophobicContact CD2-CB 4.02Å; L250-L254 HydrophobicContact CG-CB 3.73Å; L250-N255 VanDerWaalsContact CD2-CA 3.44Å; L250-N255 HydrophobicContact CD2-CB 3.9Å; L250-N255 HydrophobicContact CG-CB 4.49Å; L250-L258 HydrophobicContact CD1-CD1 4.04Å; L250-L258 HydrophobicContact CD2-CB 4.46Å; L250-L258 HydrophobicContact CD2-CD1 4.24Å; L250-Y259 HydrophobicContact CD2-CD2 3.72Å; L250-Y259 HydrophobicContact CD2-CE2 3.79Å | ||
| 251 | S | 67.3 | Low | 68.8 | Low | 50 Ų | 50 | 68.9 Ų | 68.9 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | trans | -64.5 | 143.1 | 170 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | V253 L254 N255 | S251-V253 PolarHBondContact O-N 3.4Å; S251-L254 PolarHBondContact O-N 2.84Å; S251-N255 PolarHBondContact O-N 3.28Å; S251-N255 VanDerWaalsContact O-N 3.16Å | ||
| 252 | L | 70.5 | Confident | 67.6 | Low | 139 Ų | 139 | 74.1 Ų | 74.1 | 73% | 0.728 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -48 | -38.4 | -178.8 | -177.2 | 63 | 0 | 0 | 0 | 112.7 | N255 | L252-N255 WeakPolarHBondContact O-CB 3.39Å; L252-N255 PolarHBondContact O-N 2.85Å |
| 253 | V | 71.5 | Confident | 66 | Low | 67 Ų | 67 | 75.9 Ų | 75.9 | 41% | 0.406 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.8 | -25.4 | -176.8 | -145.8 | 0 | 0 | 0 | 0 | 113.7 | H214 S251 T256 | H214-V253 VanDerWaalsContact CD2-CG1 3.48Å; H214-V253 WeakPolarHBondContact CD2-CG1 3.32Å; H214-V253 PolarHBondContact CD2-O 3.37Å; S251-V253 PolarHBondContact O-N 3.4Å; V253-T256 PolarHBondContact O-OG1 3.18Å; V253-T256 VanDerWaalsContact O-OG1 3.1Å |
| 254 | L | 71.1 | Confident | 64.2 | Low | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -86.1 | -24.8 | 169.7 | -84.8 | 72.8 | 0 | 0 | 0 | 111.6 | T210 L213 L217 L250 S251 T256 L257 L258 | T210-L254 HydrophobicContact CG2-CD1 3.3Å; L213-L254 HydrophobicContact CD2-CD2 4.2Å; L213-L254 HydrophobicContact CG-CD2 4.17Å; L217-L254 HydrophobicContact CD1-CD2 3.61Å; L250-L254 HydrophobicContact CD1-CB 3.54Å; L250-L254 HydrophobicContact CD1-CG 4.16Å; L250-L254 HydrophobicContact CD2-CB 4.02Å; L250-L254 HydrophobicContact CG-CB 3.73Å; S251-L254 PolarHBondContact O-N 2.84Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 2.83Å; L254-L257 PolarHBondContact O-N 3.47Å; L254-L258 HydrophobicContact CB-CD1 4.28Å; L254-L258 HydrophobicContact CD2-CD1 4.46Å; L254-L258 PolarHBondContact O-N 2.96Å |
| 255 | N | 71.8 | Confident | 62.4 | Low | 34 Ų | 34 | 80 Ų | 80 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | -175.8 | -164.3 | 34.6 | 0 | 0 | 0 | 111.6 | L250 S251 L252 Y259 I262 | L250-N255 VanDerWaalsContact CD2-CA 3.44Å; L250-N255 HydrophobicContact CD2-CB 3.9Å; L250-N255 HydrophobicContact CG-CB 4.49Å; S251-N255 PolarHBondContact O-N 3.28Å; S251-N255 VanDerWaalsContact O-N 3.16Å; L252-N255 WeakPolarHBondContact O-CB 3.39Å; L252-N255 PolarHBondContact O-N 2.85Å; N255-Y259 CarbonylContact O-C 3.31Å; N255-Y259 VanDerWaalsContact O-C 3.31Å; N255-Y259 WeakPolarHBondContact O-CA 3.5Å; N255-Y259 PolarHBondContact O-N 2.89Å; N255-I262 WeakPolarHBondContact ND2-CD1 3.29Å |
| 256 | T | 70.8 | Confident | 60.7 | Low | 89 Ų | 89 | 82.5 Ų | 82.5 | 55% | 0.546 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 171.5 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | V253 L254 | V253-T256 PolarHBondContact O-OG1 3.18Å; V253-T256 VanDerWaalsContact O-OG1 3.1Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 2.83Å |
| 257 | L | 71.8 | Confident | 59.2 | Low | 31 Ų | 31 | 87.6 Ų | 87.6 | 16% | 0.162 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -88.1 | -29.3 | -177.1 | -65.1 | -172.9 | 0 | 0 | 0 | 114.4 | H214 L217 Y221 L254 | H214-L257 WeakPolarHBondContact CD2-CD1 3.45Å; L217-L257 HydrophobicContact CB-CD1 3.85Å; Y221-L257 HydrophobicContact CD2-CD2 4.09Å; Y221-L257 HydrophobicContact CE2-CB 4.17Å; Y221-L257 HydrophobicContact CE2-CD2 4.21Å; Y221-L257 WeakPolarHBondContact CE2-O 3.22Å; Y221-L257 PolarHBondContact OH-O 2.92Å; L254-L257 PolarHBondContact O-N 3.47Å |
| 258 | L | 72.2 | Confident | 57.6 | Low | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -99.7 | -32.9 | -177.8 | -64.5 | 178.3 | 0 | 0 | 0 | 113 | L217 I238 L241 R242 L250 L254 P260 | L217-L258 HydrophobicContact CD1-CD2 4.08Å; I238-L258 HydrophobicContact CG2-CD2 4.46Å; L241-L258 HydrophobicContact CB-CD2 4.13Å; L241-L258 HydrophobicContact CD1-CD2 4.49Å; R242-L258 HydrophobicContact CG-CB 4.49Å; R242-L258 PolarHBondContact NE-O 2.98Å; R242-L258 PolarHBondContact NH2-O 3.42Å; R242-L258 VanDerWaalsContact NH2-O 3.09Å; L250-L258 HydrophobicContact CD1-CD1 4.04Å; L250-L258 HydrophobicContact CD2-CB 4.46Å; L250-L258 HydrophobicContact CD2-CD1 4.24Å; L254-L258 HydrophobicContact CB-CD1 4.28Å; L254-L258 HydrophobicContact CD2-CD1 4.46Å; L254-L258 PolarHBondContact O-N 2.96Å; L258-P260 VanDerWaalsContact C-CD 3.49Å |
| 259 | Y | 71.3 | Confident | 56.3 | Low | 33 Ų | 33 | 91.7 Ų | 91.7 | 13% | 0.129 | 49% | 0.485 | C | S | . | . | trans | -129.3 | 62.8 | -177 | -58.2 | -72.5 | 0 | 0 | 0 | 111.6 | R242 Y245 R247 L250 N255 D261 | R242-Y259 HydrophobicContact CB-CE1 4.42Å; R242-Y259 HydrophobicContact CG-CE1 4.07Å; R242-Y259 PolarHBondContact O-OH 2.89Å; Y245-Y259 PolarHBondContact O-OH 3.42Å; R247-Y259 HydrophobicContact CB-CD2 4.31Å; R247-Y259 HydrophobicContact CB-CE2 3.86Å; R247-Y259 HydrophobicContact CG-CD2 3.89Å; R247-Y259 HydrophobicContact CG-CE2 3.97Å; R247-Y259 HydrophobicContact CG-CG 4.31Å; L250-Y259 HydrophobicContact CD2-CD2 3.72Å; L250-Y259 HydrophobicContact CD2-CE2 3.79Å; N255-Y259 CarbonylContact O-C 3.31Å; N255-Y259 VanDerWaalsContact O-C 3.31Å; N255-Y259 WeakPolarHBondContact O-CA 3.5Å; N255-Y259 PolarHBondContact O-N 2.89Å; Y259-D261 PolarHBondContact O-N 3.33Å | ||
| 260 | P | 62.7 | Low | 54.8 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 36% | 0.357 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -60.2 | -18.6 | -176.5 | 26.2 | -35.7 | 0 | 0 | 0 | 114 | L258 I262 V263 | L258-P260 VanDerWaalsContact C-CD 3.49Å; P260-I262 PolarHBondContact O-N 2.65Å; P260-V263 PolarHBondContact O-N 3.34Å |
| 261 | D | 56.2 | Low | 53 | Low | 117 Ų | 117 | 90.5 Ų | 90.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -53.2 | -1.9 | -177.9 | -32.5 | -38.1 | 0 | 0 | 0 | 116.7 | Y259 | Y259-D261 PolarHBondContact O-N 3.33Š|
| 262 | I | 50.2 | Low | 51.3 | Low | 109 Ų | 109 | 97 Ų | 97 | 56% | 0.559 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -82.1 | -26.5 | 173.9 | -56.8 | 179.9 | 0 | 0 | 0 | 111.1 | N255 P260 | N255-I262 WeakPolarHBondContact ND2-CD1 3.29Å; P260-I262 PolarHBondContact O-N 2.65Å |
| 263 | V | 44.9 | Very low | 49.3 | Very low | 108 Ų | 108 | 97.9 Ų | 97.9 | 66% | 0.655 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -103.2 | 119.3 | 174.2 | -176 | 0 | 0 | 0 | 0 | 108.3 | P260 Y265 | P260-V263 PolarHBondContact O-N 3.34Å; V263-Y265 PolarHBondContact O-N 3.19Å |
| 264 | G | 34.9 | Very low | 47.2 | Very low | 76 Ų | 76 | 102 Ų | 102 | 78% | 0.784 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -72.6 | 37.9 | -167 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 265 | Y | 33.8 | Very low | 45.2 | Very low | 190 Ų | 190 | 109.8 Ų | 109.8 | 75% | 0.745 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -130.7 | 127.5 | 177.5 | -76.9 | -84 | 0 | 0 | 0 | 111.2 | V263 F267 | V263-Y265 PolarHBondContact O-N 3.19Å; Y265-F267 PolarHBondContact O-N 2.95Å; Y265-F267 VanDerWaalsContact O-N 3.14Å |
| 266 | P | 34.6 | Very low | 43 | Very low | 112 Ų | 112 | 113 Ų | 113 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | trans | -72.2 | 108.2 | 177.8 | 29.2 | -33.1 | 0 | 0 | 0 | 110.4 | V268 | P266-V268 PolarHBondContact O-N 3.39Š| ||
| 267 | F | 34.4 | Very low | 41.1 | Very low | 147 Ų | 147 | 116 Ų | 116 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | trans | -77 | 66 | -179.4 | -169.2 | -102.9 | 0 | 0 | 0 | 112 | Y265 C271 | Y265-F267 PolarHBondContact O-N 2.95Å; Y265-F267 VanDerWaalsContact O-N 3.14Å; F267-C271 WeakPolarHBondContact CZ-SG 3.44Å | ||
| 268 | V | 31.3 | Very low | 39.1 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 70% | 0.703 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -136.5 | 108.3 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | P266 | P266-V268 PolarHBondContact O-N 3.39Š|
| 269 | K | 33.1 | Very low | 37.1 | Very low | 205 Ų | 205 | 126.3 Ų | 126.3 | 89% | 0.891 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 88.9 | 30.3 | 179.4 | -55.4 | -175.5 | 172.3 | -172.9 | 0 | 120.1 | ||
| 270 | T | 30.2 | Very low | 35.2 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | trans | -124.6 | 14.5 | -179.3 | -20.3 | 0 | 0 | 0 | 0 | 117.2 | Q272 | T270-Q272 PolarHBondContact O-N 3.47Š| ||
| 271 | C | 29.3 | Very low | 33.8 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 39.4 | 177.2 | -72.9 | 0 | 0 | 0 | 0 | 114.3 | F267 | F267-C271 WeakPolarHBondContact CZ-SG 3.44Š|
| 272 | Q | 30.6 | Very low | 32.8 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 7.5 | -176.4 | -126.3 | 174.5 | 16.9 | 0 | 0 | 115.3 | T270 | T270-Q272 PolarHBondContact O-N 3.47Š|
| 273 | L | 28 | Very low | 32 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -134 | 103.7 | 177.8 | -74.6 | 171.9 | 0 | 0 | 0 | 111.5 | ||
| 274 | E | 27.7 | Very low | 31.5 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | 26.4 | 119.6 | 159.8 | -52.4 | -171.3 | -175.1 | 0 | 0 | 120.7 | N276 | E274-N276 HydrophobicContact CB-CB 4.02Å; E274-N276 PolarHBondContact O-N 3.05Å; E274-N276 PolarHBondContact OE2-ND2 2.65Å | ||
| 275 | L | 29.3 | Very low | 31.4 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 88% | 0.88 | 74% | 0.735 | S | S | * | * | trans | -72.7 | 51 | 159.8 | -74.5 | 166.3 | 0 | 0 | 0 | 112.3 | L277 | L275-L277 VanDerWaalsContact C-N 3.34Å; L275-L277 PolarHBondContact O-N 2.98Å | ||
| 276 | N | 25.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 54% | 0.54 | 74% | 0.737 | S | S | . | * | trans | -84.8 | 73.7 | -177.5 | -141.9 | -37.2 | 0 | 0 | 0 | 110.4 | E274 N278 | E274-N276 HydrophobicContact CB-CB 4.02Å; E274-N276 PolarHBondContact O-N 3.05Å; E274-N276 PolarHBondContact OE2-ND2 2.65Å; N276-N278 PolarHBondContact O-N 3.15Å; N276-N278 PolarHBondContact OD1-ND2 3.16Å | ||
| 277 | L | 31.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | trans | -72.6 | 53.4 | -171.5 | -86.3 | 161.9 | 0 | 0 | 0 | 114.5 | L275 | L275-L277 VanDerWaalsContact C-N 3.34Å; L275-L277 PolarHBondContact O-N 2.98Å | ||
| 278 | N | 28 | Very low | 30.9 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -99 | 35.1 | -178 | -81.8 | -42.1 | 0 | 0 | 0 | 114.1 | N276 | N276-N278 PolarHBondContact O-N 3.15Å; N276-N278 PolarHBondContact OD1-ND2 3.16Å | ||
| 279 | N | 31.3 | Very low | 31 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | -173.4 | 117.7 | 155.7 | -118.8 | -84 | 0 | 0 | 0 | 112.8 | ||||
| 280 | P | 32 | Very low | 30.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -78.9 | -18.5 | 173.2 | 28.9 | -30.8 | 0 | 0 | 0 | 113.7 | K282 | P280-K282 VanDerWaalsContact C-N 3.27Å; P280-K282 PolarHBondContact O-N 3.45Å |
| 281 | N | 31.7 | Very low | 31 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 8.2 | -160.1 | -66.7 | -10.8 | 0 | 0 | 0 | 116.5 | ||
| 282 | K | 35.2 | Very low | 31 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -6.7 | -169.9 | -139.5 | 172.8 | -173.2 | 175.5 | 0 | 116.5 | P280 | P280-K282 VanDerWaalsContact C-N 3.27Å; P280-K282 PolarHBondContact O-N 3.45Å |
| 283 | V | 34 | Very low | 31.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -94.4 | -28.4 | -176.8 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | G285 | V283-G285 VanDerWaalsContact C-N 3.32Å; V283-G285 PolarHBondContact O-N 3.07Å |
| 284 | I | 35.4 | Very low | 31.1 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -68.2 | -29.6 | -173 | -61.6 | 172.3 | 0 | 0 | 0 | 112.3 | Q286 | I284-Q286 VanDerWaalsContact C-N 3.34Å; I284-Q286 PolarHBondContact O-N 3Å |
| 285 | G | 32.3 | Very low | 31.3 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -76.1 | -1.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | V283 | V283-G285 VanDerWaalsContact C-N 3.32Å; V283-G285 PolarHBondContact O-N 3.07Å |
| 286 | Q | 35.4 | Very low | 31.6 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -116 | 0.4 | -174.9 | -71.2 | -169 | -25.8 | 0 | 0 | 115.4 | I284 | I284-Q286 VanDerWaalsContact C-N 3.34Å; I284-Q286 PolarHBondContact O-N 3Å |
| 287 | L | 31.1 | Very low | 32 | Very low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -89.5 | -0.7 | -178.6 | -83.6 | 156.1 | 0 | 0 | 0 | 114.7 | ||
| 288 | C | 25.9 | Very low | 32.1 | Very low | 115 Ų | 115 | 135 Ų | 135 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -115.3 | 78.9 | -175.6 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 289 | S | 32.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -158.5 | 100.3 | 164 | -84.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 290 | P | 30.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 119.2 | -177.7 | 31.6 | -32.3 | 0 | 0 | 0 | 111.5 | ||||
| 291 | N | 32.6 | Very low | 32 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -120.5 | 136.4 | 172.6 | -113.3 | -33.2 | 0 | 0 | 0 | 112.7 | ||||
| 292 | K | 29.3 | Very low | 32.1 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -73.5 | 135.6 | -160.9 | -56.9 | 149.4 | -179.4 | 168.7 | 0 | 113.6 | ||||
| 293 | T | 33.8 | Very low | 31.9 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -158.8 | 152.2 | 135.3 | 25.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 294 | N | 27.8 | Very low | 31.7 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -105.5 | 141.1 | -167.6 | -58.8 | -29 | 0 | 0 | 0 | 113.7 | ||||
| 295 | S | 32.5 | Very low | 31.5 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -156.8 | 94.7 | 151.3 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 296 | T | 34 | Very low | 31.2 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 45.9 | 82.5 | 142.6 | 55.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 297 | V | 34.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | 17.3 | 133.1 | 115.9 | -173.9 | 0 | 0 | 0 | 0 | 119.4 | N299 | V297-N299 HydrophobicContact CG1-CB 4.38Å; V297-N299 WeakPolarHBondContact CG1-OD1 3.44Å | |||
| 298 | N | 34.1 | Very low | 30.9 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -148.7 | 94.6 | 135.4 | -100.2 | -32.9 | 0 | 0 | 0 | 107.8 | ||||
| 299 | N | 31.5 | Very low | 31 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 92.9 | 121.9 | 73 | -90.8 | -28.6 | 0 | 0 | 0 | 112.7 | V297 | V297-N299 HydrophobicContact CG1-CB 4.38Å; V297-N299 WeakPolarHBondContact CG1-OD1 3.44Å | |||
| 300 | G | 29 | Very low | 30.8 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 179.6 | 29.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 301 | L | 28.8 | Very low | 30.8 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -152.1 | 130.7 | 178.8 | -161.6 | 76.7 | 0 | 0 | 0 | 113.4 | ||||
| 302 | T | 33.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -151.4 | 136.5 | 165.6 | 51.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 303 | T | 32.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | cis | -167.9 | 143.2 | -1.3 | 15 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 304 | T | 29.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | 55.5 | 138 | 148.8 | 58 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 305 | T | 30.1 | Very low | 30.4 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | cis | -165.5 | 158.4 | 13.6 | -0.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 306 | T | 27.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 55.6 | 104.7 | 152 | 54.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 307 | S | 29.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | -178.8 | 161.5 | 127.9 | 30.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 308 | S | 29.3 | Very low | 29.3 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 35 | 112.2 | 157.8 | 47.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 309 | V | 27.9 | Very low | 29.1 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | 107.8 | 152.5 | 67.6 | 148.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 310 | F | 28.9 | Very low | 28.9 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 60 | 101.7 | -178.2 | -68.1 | -59.2 | 0 | 0 | 0 | 119.2 | ||||
| 311 | T | 31.8 | Very low | 28.7 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -80.5 | 113.1 | 158.3 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | S313 | T311-S313 PolarHBondContact O-N 2.88Š| ||
| 312 | K | 29.6 | Very low | 28.6 | Very low | 205 Ų | 205 | 126.7 Ų | 126.7 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -63 | 118.3 | 177.5 | -69.8 | -173.3 | 174.6 | -171.9 | 0 | 111.9 | ||||
| 313 | S | 25.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -105.6 | 84.8 | 163.2 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | T311 | T311-S313 PolarHBondContact O-N 2.88Š| ||
| 314 | S | 31.1 | Very low | 28.5 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -128.3 | 119 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 109.2 | C316 | S314-C316 PolarHBondContact O-N 3.49Š| ||
| 315 | I | 28.2 | Very low | 29 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -92.8 | 75.4 | -177.1 | -55.8 | 177.5 | 0 | 0 | 0 | 108.9 | ||
| 316 | C | 27.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -159.7 | 41.8 | 156.9 | -123.5 | 0 | 0 | 0 | 0 | 112.1 | S314 C318 | S314-C316 PolarHBondContact O-N 3.49Å; C316-C318 PolarHBondContact O-N 2.93Å | ||
| 317 | G | 25.4 | Very low | 31.2 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -86.6 | 82.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 318 | C | 25.8 | Very low | 33 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -118.5 | 100.8 | 146.9 | -86.6 | 0 | 0 | 0 | 0 | 106.2 | C316 | C316-C318 PolarHBondContact O-N 2.93Š| ||
| 319 | G | 28.9 | Very low | 35 | Very low | 62 Ų | 62 | 121 Ų | 121 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | 101.4 | 75 | 54.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 320 | L | 27.6 | Very low | 37.5 | Very low | 176 Ų | 176 | 119 Ų | 119 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | 54.3 | 113.3 | 94.7 | -63.3 | 170.5 | 0 | 0 | 0 | 111.4 | |||||
| 321 | S | 25.2 | Very low | 40 | Very low | 112 Ų | 112 | 114 Ų | 114 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | cis | -148.9 | 159.5 | 10.5 | 54 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 322 | S | 26 | Very low | 42.6 | Very low | 106 Ų | 106 | 107.7 Ų | 107.7 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | trans | 165 | 113.1 | -160.3 | 76.8 | 0 | 0 | 0 | 0 | 107.1 | S324 | S322-S324 PolarHBondContact O-N 3.44Š| ||
| 323 | S | 30 | Very low | 45.1 | Very low | 122 Ų | 122 | 98.3 Ų | 98.3 | 85% | 0.853 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 64.2 | -171.3 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 324 | S | 32.6 | Very low | 48 | Very low | 106 Ų | 106 | 96.1 Ų | 96.1 | 74% | 0.741 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144 | -0.1 | -170.2 | -47 | 0 | 0 | 0 | 0 | 114.2 | S322 | S322-S324 PolarHBondContact O-N 3.44Š|
| 325 | S | 39.8 | Very low | 50.5 | Low | 106 Ų | 106 | 93.9 Ų | 93.9 | 74% | 0.741 | 60% | 0.596 | S | S | * | * | trans | -101 | -2.2 | -165.9 | -165.6 | 0 | 0 | 0 | 0 | 115.3 | N327 | S325-N327 PolarHBondContact O-N 2.86Š| ||
| 326 | S | 46.5 | Very low | 53.2 | Low | 89 Ų | 89 | 85.8 Ų | 85.8 | 62% | 0.622 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -2 | -175.6 | 45.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 327 | N | 57.4 | Low | 55.9 | Low | 138 Ų | 138 | 82.4 Ų | 82.4 | 74% | 0.738 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | 34 | -164 | -64.7 | 50.9 | 0 | 0 | 0 | 112.6 | S325 P329 | S325-N327 PolarHBondContact O-N 2.86Å; N327-P329 VanDerWaalsContact O-CD 3.28Å; N327-P329 WeakPolarHBondContact O-CD 3.41Å |
| 328 | N | 68.5 | Low | 58.6 | Low | 96 Ų | 96 | 85.4 Ų | 85.4 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | trans | -100 | 95.9 | 178.9 | -167 | 35 | 0 | 0 | 0 | 111.2 | Y330 L331 | N328-Y330 PolarHBondContact O-N 2.96Å; N328-Y330 VanDerWaalsContact O-N 3.11Å; N328-L331 PolarHBondContact O-N 3.18Å | ||
| 329 | P | 71.1 | Confident | 61.2 | Low | 37 Ų | 37 | 80.7 Ų | 80.7 | 24% | 0.24 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12 | -167.4 | 30.2 | -37.6 | 0 | 0 | 0 | 114.4 | N327 I365 A366 | N327-P329 VanDerWaalsContact O-CD 3.28Å; N327-P329 WeakPolarHBondContact O-CD 3.41Å; P329-I365 HydrophobicContact CB-CB 4.37Å; P329-I365 HydrophobicContact CB-CG2 3.83Å; P329-I365 HydrophobicContact CG-CG2 4.01Å; P329-A366 HydrophobicContact CB-CB 4.11Å; P329-A366 WeakPolarHBondContact O-CA 3.17Å; P329-A366 WeakPolarHBondContact O-CB 3.45Å |
| 330 | Y | 79.5 | Confident | 63.7 | Low | 82 Ų | 82 | 78.1 Ų | 78.1 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73 | -25.6 | -178.4 | -61.9 | -84.4 | 0 | 0 | 0 | 113.2 | N328 I332 A333 D334 K369 E463 | N328-Y330 PolarHBondContact O-N 2.96Å; N328-Y330 VanDerWaalsContact O-N 3.11Å; Y330-I332 PolarHBondContact O-N 2.78Å; Y330-A333 CarbonylContact O-C 3.16Å; Y330-A333 WeakPolarHBondContact O-CA 3.32Å; Y330-A333 WeakPolarHBondContact O-CB 3.41Å; Y330-A333 PolarHBondContact O-N 3.26Å; Y330-D334 WeakPolarHBondContact CB-OD2 3.27Å; Y330-D334 VanDerWaalsContact O-CG 3.24Å; Y330-D334 PolarHBondContact O-N 2.83Å; Y330-K369 HydrophobicContact CD1-CD 4.16Å; Y330-K369 HydrophobicContact CD1-CG 4.49Å; Y330-K369 HydrophobicContact CE1-CD 3.65Å; Y330-K369 HydrophobicContact CE1-CG 4.35Å; Y330-K369 WeakPolarHBondContact OH-CE 3.34Å; Y330-K369 PolarHBondContact OH-NZ 2.95Å; Y330-E463 WeakPolarHBondContact CE1-OE2 3.26Å |
| 331 | L | 82.8 | Confident | 66.3 | Low | 90 Ų | 90 | 70.7 Ų | 70.7 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.4 | -35.4 | -169.5 | -174.6 | 65.2 | 0 | 0 | 0 | 114.4 | N328 L335 F357 | N328-L331 PolarHBondContact O-N 3.18Å; L331-L335 WeakPolarHBondContact O-CB 3.45Å; L331-L335 PolarHBondContact O-N 3.22Å; L331-F357 HydrophobicContact CD2-CE1 4.04Å; L331-F357 HydrophobicContact CG-CE1 4.1Å |
| 332 | I | 84.9 | Confident | 68.6 | Low | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.036 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -75.2 | -41.3 | 178 | -48.5 | -174.8 | 0 | 0 | 0 | 110.6 | Y330 L336 L354 F357 L362 A366 | Y330-I332 PolarHBondContact O-N 2.78Å; I332-L336 HydrophobicContact CG2-CD1 4.16Å; I332-L336 WeakPolarHBondContact O-CD1 3.42Å; I332-L336 WeakPolarHBondContact O-CG 3.44Å; I332-L336 PolarHBondContact O-N 3.03Å; I332-L354 HydrophobicContact CG2-CD2 4.14Å; I332-F357 HydrophobicContact CB-CZ 4.41Å; I332-F357 HydrophobicContact CD1-CD1 4.33Å; I332-F357 HydrophobicContact CD1-CD2 4.46Å; I332-F357 HydrophobicContact CD1-CG 4.22Å; I332-F357 HydrophobicContact CG1-CD1 4.01Å; I332-F357 HydrophobicContact CG1-CD2 4.36Å; I332-F357 HydrophobicContact CG1-CE1 3.86Å; I332-F357 HydrophobicContact CG1-CE2 4.23Å; I332-F357 HydrophobicContact CG1-CG 4.25Å; I332-F357 HydrophobicContact CG1-CZ 3.97Å; I332-F357 HydrophobicContact CG2-CE2 4.21Å; I332-F357 HydrophobicContact CG2-CZ 4.5Å; I332-L362 HydrophobicContact CD1-CD2 3.9Å; I332-A366 HydrophobicContact CD1-CB 4.07Å |
| 333 | A | 83.4 | Confident | 71.2 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y330 L335 L336 E337 K369 L373 | Y330-A333 CarbonylContact O-C 3.16Å; Y330-A333 WeakPolarHBondContact O-CA 3.32Å; Y330-A333 WeakPolarHBondContact O-CB 3.41Å; Y330-A333 PolarHBondContact O-N 3.26Å; A333-L335 VanDerWaalsContact C-N 3.33Å; A333-L335 PolarHBondContact O-N 3.48Å; A333-L336 PolarHBondContact O-N 3.49Å; A333-L336 VanDerWaalsContact O-N 3.14Å; A333-E337 PolarHBondContact O-N 2.97Å; A333-K369 HydrophobicContact CB-CB 4.27Å; A333-L373 HydrophobicContact CB-CD2 4.43Å; A333-L373 VanDerWaalsContact O-CD2 3.26Å; A333-L373 WeakPolarHBondContact O-CD2 3.45Å |
| 334 | D | 85.3 | Confident | 73.6 | Confident | 77 Ų | 77 | 58.6 Ų | 58.6 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 177.3 | -59.8 | -30.4 | 0 | 0 | 0 | 110.8 | Y330 L336 E337 E338 | Y330-D334 WeakPolarHBondContact CB-OD2 3.27Å; Y330-D334 VanDerWaalsContact O-CG 3.24Å; Y330-D334 PolarHBondContact O-N 2.83Å; D334-L336 PolarHBondContact O-N 3.06Å; D334-E337 PolarHBondContact O-N 3.37Å; D334-E338 PolarHBondContact O-N 2.68Å |
| 335 | L | 85 | Confident | 75.9 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.4 | -179.7 | 64 | 0 | 0 | 0 | 112.7 | L331 A333 E338 L339 V353 F357 | L331-L335 WeakPolarHBondContact O-CB 3.45Å; L331-L335 PolarHBondContact O-N 3.22Å; A333-L335 VanDerWaalsContact C-N 3.33Å; A333-L335 PolarHBondContact O-N 3.48Å; L335-E338 PolarHBondContact O-N 3.25Å; L335-L339 HydrophobicContact CD1-CD1 4.08Å; L335-L339 HydrophobicContact CD1-CG 4.26Å; L335-L339 HydrophobicContact CG-CD1 3.94Å; L335-L339 WeakPolarHBondContact O-CB 3.24Å; L335-L339 VanDerWaalsContact O-CG 3.28Å; L335-L339 WeakPolarHBondContact O-CG 3.3Å; L335-L339 PolarHBondContact O-N 2.9Å; L335-V353 HydrophobicContact CD2-CG1 4.08Å; L335-F357 HydrophobicContact CD2-CE2 3.79Å; L335-F357 HydrophobicContact CD2-CZ 3.63Å |
| 336 | L | 84.2 | Confident | 78 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 175.9 | -68.6 | 167 | 0 | 0 | 0 | 111.4 | I332 A333 D334 G340 C343 V353 C370 L373 F374 W434 F439 | I332-L336 HydrophobicContact CG2-CD1 4.16Å; I332-L336 WeakPolarHBondContact O-CD1 3.42Å; I332-L336 WeakPolarHBondContact O-CG 3.44Å; I332-L336 PolarHBondContact O-N 3.03Å; A333-L336 PolarHBondContact O-N 3.49Å; A333-L336 VanDerWaalsContact O-N 3.14Å; D334-L336 PolarHBondContact O-N 3.06Å; L336-G340 PolarHBondContact O-N 3.42Å; L336-C343 WeakPolarHBondContact CD2-SG 3.2Å; L336-V353 HydrophobicContact CD2-CG1 4.16Å; L336-C370 HydrophobicContact CD1-CB 4.01Å; L336-L373 HydrophobicContact CB-CD2 3.85Å; L336-F374 HydrophobicContact CB-CE1 4.5Å; L336-F374 HydrophobicContact CD1-CE1 4.12Å; L336-F374 HydrophobicContact CD1-CZ 3.97Å; L336-W434 HydrophobicContact CB-CH2 4.47Å; L336-W434 WeakPolarHBondContact O-CH2 3.44Å; L336-F439 HydrophobicContact CD1-CE2 4.06Å |
| 337 | E | 84.5 | Confident | 79.7 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.6 | -165.4 | 163.3 | -166.6 | 0 | 0 | 112 | A333 D334 L373 R376 L382 | A333-E337 PolarHBondContact O-N 2.97Å; D334-E337 PolarHBondContact O-N 3.37Å; E337-L373 HydrophobicContact CB-CD1 3.75Å; E337-L373 HydrophobicContact CB-CD2 3.99Å; E337-L373 HydrophobicContact CG-CD1 3.74Å; E337-L373 WeakPolarHBondContact OE2-CD1 3.32Å; E337-R376 VanDerWaalsContact CD-NH2 3.32Å; E337-R376 IonicContact OE1-CZ 2.64Å; E337-R376 IonicContact OE1-NH1 2.6Å; E337-R376 PolarHBondContact OE1-NH1 2.87Å; E337-R376 IonicContact OE1-NH2 2.77Å; E337-R376 PolarHBondContact OE1-NH2 3.06Å; E337-R376 IonicContact OE2-CZ 2.75Å; E337-R376 IonicContact OE2-NH1 2.65Å; E337-R376 IonicContact OE2-NH2 2.9Å; E337-R376 PolarHBondContact OE2-NH2 2.78Å; E337-L382 HydrophobicContact CG-CD2 3.99Å; E337-L382 VanDerWaalsContact O-CD2 3.32Å; E337-L382 WeakPolarHBondContact O-CD2 3.24Å |
| 338 | E | 82.7 | Confident | 81 | Confident | 141 Ų | 141 | 55.3 Ų | 55.3 | 66% | 0.659 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.7 | -49.1 | 173.7 | -72.8 | -169.2 | 164.2 | 0 | 0 | 112.7 | D334 L335 K386 | D334-E338 PolarHBondContact O-N 2.68Å; L335-E338 PolarHBondContact O-N 3.25Å; E338-K386 PolarHBondContact O-NZ 3.39Å |
| 339 | L | 79.8 | Confident | 81.7 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | -179 | -68.6 | 172.1 | 0 | 0 | 0 | 112.7 | L335 C343 V353 N401 | L335-L339 HydrophobicContact CD1-CD1 4.08Å; L335-L339 HydrophobicContact CD1-CG 4.26Å; L335-L339 HydrophobicContact CG-CD1 3.94Å; L335-L339 WeakPolarHBondContact O-CB 3.24Å; L335-L339 VanDerWaalsContact O-CG 3.28Å; L335-L339 WeakPolarHBondContact O-CG 3.3Å; L335-L339 PolarHBondContact O-N 2.9Å; L339-C343 HydrophobicContact CB-CB 4.15Å; L339-C343 HydrophobicContact CD1-CB 4.2Å; L339-V353 HydrophobicContact CD1-CB 4.47Å; L339-V353 HydrophobicContact CD1-CG1 3.81Å; L339-V353 HydrophobicContact CD1-CG2 3.72Å; L339-N401 PolarHBondContact O-ND2 3.24Å |
| 340 | G | 81.1 | Confident | 82.3 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | trans | 71.8 | -175.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L336 E342 C343 | L336-G340 PolarHBondContact O-N 3.42Å; G340-E342 PolarHBondContact O-N 2.82Å; G340-C343 PolarHBondContact O-N 2.9Å; G340-C343 PolarHBondContact O-SG 2.76Å | ||
| 341 | Y | 81.9 | Confident | 82.7 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -34.9 | -165 | -52 | -72.6 | 0 | 0 | 0 | 115.8 | C343 T344 T377 G380 L382 W434 | Y341-C343 PolarHBondContact O-N 3.12Å; Y341-T344 PolarHBondContact O-N 3.47Å; Y341-T344 PolarHBondContact O-OG1 3.47Å; Y341-T377 PolarHBondContact OH-O 3.29Å; Y341-G380 WeakPolarHBondContact OH-CA 3.31Å; Y341-L382 HydrophobicContact CD1-CD1 4.29Å; Y341-L382 HydrophobicContact CD2-CD1 4.46Å; Y341-L382 HydrophobicContact CE1-CD1 3.81Å; Y341-L382 HydrophobicContact CE2-CB 3.8Å; Y341-L382 HydrophobicContact CE2-CD1 4Å; Y341-W434 AromaticContact CD1-CD2 3.68Å; Y341-W434 HydrophobicContact CD1-CD2 3.68Å; Y341-W434 AromaticContact CD1-CE2 3.69Å; Y341-W434 HydrophobicContact CD1-CE3 4.17Å; Y341-W434 AromaticContact CD1-CG 3.96Å; Y341-W434 HydrophobicContact CD1-CG 3.96Å; Y341-W434 HydrophobicContact CD1-CZ2 4.27Å; Y341-W434 AromaticContact CD1-NE1 3.82Å; Y341-W434 AromaticContact CE1-CD1 3.92Å; Y341-W434 HydrophobicContact CE1-CD2 4.23Å; Y341-W434 AromaticContact CE1-CE2 3.85Å; Y341-W434 HydrophobicContact CE1-CG 4.32Å; Y341-W434 HydrophobicContact CE1-CZ2 4.45Å; Y341-W434 AromaticContact CE1-NE1 3.56Å |
| 342 | E | 74.5 | Confident | 82.7 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.5 | -32 | -176.5 | -66.4 | -66 | 125.1 | 0 | 0 | 113.2 | G340 T344 K345 S349 | G340-E342 PolarHBondContact O-N 2.82Å; E342-T344 PolarHBondContact O-N 3.42Å; E342-K345 VanDerWaalsContact CD-CD 3.49Å; E342-K345 VanDerWaalsContact O-CB 3.24Å; E342-K345 WeakPolarHBondContact O-CB 3.47Å; E342-K345 PolarHBondContact O-N 2.92Å; E342-K345 VanDerWaalsContact O-N 3.08Å; E342-K345 WeakPolarHBondContact OE1-CD 3.48Å; E342-K345 IonicContact OE1-NZ 3.91Å; E342-K345 PolarHBondContact OE1-NZ 3.41Å; E342-K345 WeakPolarHBondContact OE2-CD 3.31Å; E342-K345 WeakPolarHBondContact OE2-CE 3.33Å; E342-K345 IonicContact OE2-NZ 3.07Å; E342-K345 PolarHBondContact OE2-NZ 2.9Å; E342-S349 PolarHBondContact O-OG 3.39Å |
| 343 | C | 79.8 | Confident | 82.5 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -28.7 | 178.4 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | L336 L339 G340 Y341 S349 T350 V353 F405 | L336-C343 WeakPolarHBondContact CD2-SG 3.2Å; L339-C343 HydrophobicContact CB-CB 4.15Å; L339-C343 HydrophobicContact CD1-CB 4.2Å; G340-C343 PolarHBondContact O-N 2.9Å; G340-C343 PolarHBondContact O-SG 2.76Å; Y341-C343 PolarHBondContact O-N 3.12Å; C343-S349 CarbonylContact O-C 3.59Å; C343-S349 VanDerWaalsContact O-CB 3.32Å; C343-S349 WeakPolarHBondContact O-CB 3.2Å; C343-S349 PolarHBondContact O-OG 3.19Å; C343-T350 WeakPolarHBondContact O-CG2 3.48Å; C343-T350 PolarHBondContact O-N 2.87Å; C343-V353 HydrophobicContact CB-CG2 4.18Å; C343-F405 HydrophobicContact CB-CE2 4.25Å; C343-F405 HydrophobicContact CB-CZ 4.26Å |
| 344 | T | 80.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84.8 | -15.1 | 176.1 | 62.6 | 0 | 0 | 0 | 0 | 114.3 | Y341 E342 T346 T350 F374 W434 N435 N438 | Y341-T344 PolarHBondContact O-N 3.47Å; Y341-T344 PolarHBondContact O-OG1 3.47Å; E342-T344 PolarHBondContact O-N 3.42Å; T344-T346 PolarHBondContact O-N 3.06Å; T344-T350 HydrophobicContact CG2-CG2 4.47Å; T344-F374 HydrophobicContact CG2-CZ 4.16Å; T344-W434 HydrophobicContact CG2-CE3 3.52Å; T344-W434 HydrophobicContact CG2-CZ3 3.95Å; T344-N435 WeakPolarHBondContact O-CB 3.23Å; T344-N435 PolarHBondContact OG1-N 3.02Å; T344-N438 WeakPolarHBondContact O-CB 3.46Å; T344-N438 PolarHBondContact O-ND2 2.88Å |
| 345 | K | 80.7 | Confident | 82.3 | Confident | 112 Ų | 112 | 47.1 Ų | 47.1 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.5 | -31.5 | -162.1 | -171.7 | 177.1 | 177.9 | 179.3 | 0 | 114.2 | E342 N438 | E342-K345 VanDerWaalsContact CD-CD 3.49Å; E342-K345 VanDerWaalsContact O-CB 3.24Å; E342-K345 WeakPolarHBondContact O-CB 3.47Å; E342-K345 PolarHBondContact O-N 2.92Å; E342-K345 VanDerWaalsContact O-N 3.08Å; E342-K345 WeakPolarHBondContact OE1-CD 3.48Å; E342-K345 IonicContact OE1-NZ 3.91Å; E342-K345 PolarHBondContact OE1-NZ 3.41Å; E342-K345 WeakPolarHBondContact OE2-CD 3.31Å; E342-K345 WeakPolarHBondContact OE2-CE 3.33Å; E342-K345 IonicContact OE2-NZ 3.07Å; E342-K345 PolarHBondContact OE2-NZ 2.9Å; K345-N438 VanDerWaalsContact C-ND2 3.26Å; K345-N438 PolarHBondContact O-ND2 3.38Å |
| 346 | T | 83.3 | Confident | 82.1 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -121.6 | 155.6 | 174.6 | 72.2 | 0 | 0 | 0 | 0 | 110.8 | T344 E348 S349 T350 N438 | T344-T346 PolarHBondContact O-N 3.06Å; T346-E348 PolarHBondContact O-N 2.88Å; T346-S349 PolarHBondContact N-OG 3.26Å; T346-S349 VanDerWaalsContact N-OG 3.1Å; T346-S349 PolarHBondContact O-N 2.93Å; T346-S349 PolarHBondContact O-OG 3.1Å; T346-S349 WeakPolarHBondContact OG1-CB 3.37Å; T346-S349 PolarHBondContact OG1-N 2.9Å; T346-S349 PolarHBondContact OG1-OG 3.07Å; T346-T350 PolarHBondContact O-N 3.36Å; T346-T350 VanDerWaalsContact O-N 3.13Å; T346-T350 PolarHBondContact O-OG1 2.92Å; T346-T350 VanDerWaalsContact O-OG1 3.13Å; T346-N438 VanDerWaalsContact C-ND2 3.34Å; T346-N438 WeakPolarHBondContact CA-ND2 3.38Å; T346-N438 PolarHBondContact N-ND2 3.14Å |
| 347 | L | 83.8 | Confident | 81.9 | Confident | 67 Ų | 67 | 49.9 Ų | 49.9 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -31.2 | 177.9 | -171.8 | 143.7 | 0 | 0 | 0 | 112 | T350 R351 T441 I442 | L347-T350 VanDerWaalsContact C-OG1 3.3Å; L347-T350 WeakPolarHBondContact CA-OG1 3.38Å; L347-T350 PolarHBondContact O-OG1 3.33Å; L347-R351 WeakPolarHBondContact O-CB 3.46Å; L347-R351 PolarHBondContact O-N 3.26Å; L347-T441 HydrophobicContact CD1-CG2 3.94Å; L347-I442 HydrophobicContact CD2-CD1 3.66Å; L347-I442 HydrophobicContact CD2-CG1 4.48Å; L347-I442 HydrophobicContact CG-CD1 3.81Å; L347-I442 HydrophobicContact CG-CG1 4.12Å |
| 348 | E | 83.9 | Confident | 81.6 | Confident | 119 Ų | 119 | 53.1 Ų | 53.1 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -79.6 | -33.2 | 178.4 | -157.1 | 60.7 | -165.2 | 0 | 0 | 112.7 | T346 R351 S352 | T346-E348 PolarHBondContact O-N 2.88Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 WeakPolarHBondContact OE1-CD 3.48Å; E348-R351 WeakPolarHBondContact OE2-CD 3.49Å; E348-R351 IonicContact OE2-NE 3.68Å; E348-R351 PolarHBondContact OE2-NE 3.11Å; E348-R351 VanDerWaalsContact OE2-NE 3.12Å; E348-S352 WeakPolarHBondContact O-CB 3.46Å; E348-S352 PolarHBondContact O-N 3.46Å |
| 349 | S | 83.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 171.2 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | E342 C343 T346 V353 | E342-S349 PolarHBondContact O-OG 3.39Å; C343-S349 CarbonylContact O-C 3.59Å; C343-S349 VanDerWaalsContact O-CB 3.32Å; C343-S349 WeakPolarHBondContact O-CB 3.2Å; C343-S349 PolarHBondContact O-OG 3.19Å; T346-S349 PolarHBondContact N-OG 3.26Å; T346-S349 VanDerWaalsContact N-OG 3.1Å; T346-S349 PolarHBondContact O-N 2.93Å; T346-S349 PolarHBondContact O-OG 3.1Å; T346-S349 WeakPolarHBondContact OG1-CB 3.37Å; T346-S349 PolarHBondContact OG1-N 2.9Å; T346-S349 PolarHBondContact OG1-OG 3.07Å; S349-V353 WeakPolarHBondContact O-CG2 3.16Å; S349-V353 PolarHBondContact O-N 3.43Å |
| 350 | T | 84.1 | Confident | 81 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 171.5 | 39.7 | 0 | 0 | 0 | 0 | 111.9 | C343 T344 T346 L347 V353 L354 N438 I442 | C343-T350 WeakPolarHBondContact O-CG2 3.48Å; C343-T350 PolarHBondContact O-N 2.87Å; T344-T350 HydrophobicContact CG2-CG2 4.47Å; T346-T350 PolarHBondContact O-N 3.36Å; T346-T350 VanDerWaalsContact O-N 3.13Å; T346-T350 PolarHBondContact O-OG1 2.92Å; T346-T350 VanDerWaalsContact O-OG1 3.13Å; L347-T350 VanDerWaalsContact C-OG1 3.3Å; L347-T350 WeakPolarHBondContact CA-OG1 3.38Å; L347-T350 PolarHBondContact O-OG1 3.33Å; T350-V353 PolarHBondContact O-N 3.41Å; T350-L354 WeakPolarHBondContact O-CB 3.17Å; T350-L354 WeakPolarHBondContact O-CG 3.46Å; T350-L354 PolarHBondContact O-N 2.93Å; T350-N438 HydrophobicContact CG2-CB 4.01Å; T350-I442 VanDerWaalsContact OG1-CG1 3.3Å; T350-I442 WeakPolarHBondContact OG1-CG1 3.46Å |
| 351 | R | 86.9 | Confident | 80.8 | Confident | 62 Ų | 62 | 58 Ų | 58 | 23% | 0.234 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -53 | 177.6 | -172.9 | -174.9 | -62.6 | -77.7 | -10.1 | 110.7 | L347 E348 V353 L354 S355 I442 E445 | L347-R351 WeakPolarHBondContact O-CB 3.46Å; L347-R351 PolarHBondContact O-N 3.26Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 WeakPolarHBondContact OE1-CD 3.48Å; E348-R351 WeakPolarHBondContact OE2-CD 3.49Å; E348-R351 IonicContact OE2-NE 3.68Å; E348-R351 PolarHBondContact OE2-NE 3.11Å; E348-R351 VanDerWaalsContact OE2-NE 3.12Å; R351-V353 PolarHBondContact O-N 2.88Å; R351-L354 PolarHBondContact O-N 3.32Å; R351-S355 WeakPolarHBondContact O-CB 3.4Å; R351-S355 PolarHBondContact O-N 3.33Å; R351-S355 PolarHBondContact O-OG 3.39Å; R351-I442 HydrophobicContact CB-CD1 3.99Å; R351-I442 HydrophobicContact CB-CG1 4.39Å; R351-I442 HydrophobicContact CG-CD1 4.47Å; R351-E445 IonicContact CZ-OE1 3.69Å; R351-E445 IonicContact CZ-OE2 3.78Å; R351-E445 IonicContact NH1-OE1 3.91Å; R351-E445 PolarHBondContact NH1-OE1 2.92Å; R351-E445 IonicContact NH1-OE2 2.73Å; R351-E445 PolarHBondContact NH1-OE2 2.97Å; R351-E445 IonicContact NH2-OE1 2.65Å; R351-E445 PolarHBondContact NH2-OE1 2.73Å; R351-E445 IonicContact NH2-OE2 2.84Å; R351-E445 PolarHBondContact NH2-OE2 2.94Å |
| 352 | S | 82.2 | Confident | 80.8 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 49% | 0.49 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -23.5 | -176.3 | -174.9 | 0 | 0 | 0 | 0 | 114.6 | E348 | E348-S352 WeakPolarHBondContact O-CB 3.46Å; E348-S352 PolarHBondContact O-N 3.46Å |
| 353 | V | 82.5 | Confident | 81.2 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -92.8 | -37.3 | 178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | L335 L336 L339 C343 S349 T350 R351 S356 F357 F405 | L335-V353 HydrophobicContact CD2-CG1 4.08Å; L336-V353 HydrophobicContact CD2-CG1 4.16Å; L339-V353 HydrophobicContact CD1-CB 4.47Å; L339-V353 HydrophobicContact CD1-CG1 3.81Å; L339-V353 HydrophobicContact CD1-CG2 3.72Å; C343-V353 HydrophobicContact CB-CG2 4.18Å; S349-V353 WeakPolarHBondContact O-CG2 3.16Å; S349-V353 PolarHBondContact O-N 3.43Å; T350-V353 PolarHBondContact O-N 3.41Å; R351-V353 PolarHBondContact O-N 2.88Å; V353-S356 PolarHBondContact O-OG 3.16Å; V353-F357 WeakPolarHBondContact O-CD2 3Å; V353-F357 WeakPolarHBondContact O-CE2 3.27Å; V353-F405 HydrophobicContact CG2-CZ 3.91Å |
| 354 | L | 83.3 | Confident | 81.4 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -81.7 | -27.4 | 179.4 | -66 | 173.8 | 0 | 0 | 0 | 112.5 | I332 T350 R351 S356 F357 L362 F439 I442 L446 | I332-L354 HydrophobicContact CG2-CD2 4.14Å; T350-L354 WeakPolarHBondContact O-CB 3.17Å; T350-L354 WeakPolarHBondContact O-CG 3.46Å; T350-L354 PolarHBondContact O-N 2.93Å; R351-L354 PolarHBondContact O-N 3.32Å; L354-S356 PolarHBondContact O-N 2.84Å; L354-F357 PolarHBondContact O-N 3.11Å; L354-L362 HydrophobicContact CD2-CD2 4.23Å; L354-F439 HydrophobicContact CD1-CD2 4.03Å; L354-F439 HydrophobicContact CD1-CE2 4.05Å; L354-F439 HydrophobicContact CD2-CE2 4.14Å; L354-I442 HydrophobicContact CB-CG2 4.11Å; L354-I442 HydrophobicContact CD1-CB 4.36Å; L354-I442 HydrophobicContact CD1-CG2 3.77Å; L354-L446 HydrophobicContact CB-CD1 3.51Å |
| 355 | S | 81.3 | Confident | 81.6 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 2.3 | 178 | 76.3 | 0 | 0 | 0 | 0 | 114.8 | R351 | R351-S355 WeakPolarHBondContact O-CB 3.4Å; R351-S355 PolarHBondContact O-N 3.33Å; R351-S355 PolarHBondContact O-OG 3.39Å |
| 356 | S | 80.5 | Confident | 81.8 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4.7 | 171.1 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | V353 L354 | V353-S356 PolarHBondContact O-OG 3.16Å; L354-S356 PolarHBondContact O-N 2.84Å |
| 357 | F | 80.4 | Confident | 82 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -107.7 | 147 | 177.5 | -61.5 | -80.7 | 0 | 0 | 0 | 110.4 | L331 I332 L335 V353 L354 E361 L362 | L331-F357 HydrophobicContact CD2-CE1 4.04Å; L331-F357 HydrophobicContact CG-CE1 4.1Å; I332-F357 HydrophobicContact CB-CZ 4.41Å; I332-F357 HydrophobicContact CD1-CD1 4.33Å; I332-F357 HydrophobicContact CD1-CD2 4.46Å; I332-F357 HydrophobicContact CD1-CG 4.22Å; I332-F357 HydrophobicContact CG1-CD1 4.01Å; I332-F357 HydrophobicContact CG1-CD2 4.36Å; I332-F357 HydrophobicContact CG1-CE1 3.86Å; I332-F357 HydrophobicContact CG1-CE2 4.23Å; I332-F357 HydrophobicContact CG1-CG 4.25Å; I332-F357 HydrophobicContact CG1-CZ 3.97Å; I332-F357 HydrophobicContact CG2-CE2 4.21Å; I332-F357 HydrophobicContact CG2-CZ 4.5Å; L335-F357 HydrophobicContact CD2-CE2 3.79Å; L335-F357 HydrophobicContact CD2-CZ 3.63Å; V353-F357 WeakPolarHBondContact O-CD2 3Å; V353-F357 WeakPolarHBondContact O-CE2 3.27Å; L354-F357 PolarHBondContact O-N 3.11Å; F357-E361 WeakPolarHBondContact CA-OE2 3.25Å; F357-E361 HydrophobicContact CB-CB 4.3Å; F357-L362 HydrophobicContact CB-CG 4.47Å |
| 358 | D | 76.9 | Confident | 82.1 | Confident | 121 Ų | 121 | 50.3 Ų | 50.3 | 65% | 0.647 | 28% | 0.279 | S | S | * | . | trans | -73.7 | 156.7 | 174.3 | -83.5 | -41 | 0 | 0 | 0 | 111.2 | D360 E361 L362 | D358-D360 PolarHBondContact O-N 3.12Å; D358-E361 HydrophobicContact CB-CG 4.34Å; D358-E361 PolarHBondContact N-OE2 2.88Å; D358-E361 VanDerWaalsContact N-OE2 3.08Å; D358-E361 WeakPolarHBondContact O-CA 3.45Å; D358-E361 WeakPolarHBondContact O-CB 3.45Å; D358-E361 PolarHBondContact O-N 3.04Å; D358-L362 PolarHBondContact O-N 3.12Å | ||
| 359 | V | 75.6 | Confident | 82.2 | Confident | 74 Ų | 74 | 45.2 Ų | 45.2 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.8 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | E361 L362 N447 | V359-E361 VanDerWaalsContact C-N 3.29Å; V359-E361 PolarHBondContact O-N 2.89Å; V359-L362 PolarHBondContact O-N 3Å; V359-N447 HydrophobicContact CG1-CB 4.07Å |
| 360 | D | 74.7 | Confident | 82.4 | Confident | 139 Ų | 139 | 45.1 Ų | 45.1 | 74% | 0.743 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12.4 | 175.5 | -68.3 | -23.1 | 0 | 0 | 0 | 113.6 | D358 N363 | D358-D360 PolarHBondContact O-N 3.12Å; D360-N363 PolarHBondContact O-ND2 3.25Å |
| 361 | E | 77.7 | Confident | 82.5 | Confident | 71 Ų | 71 | 45 Ų | 45 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -28.9 | 172.4 | -63 | -177 | 132.8 | 0 | 0 | 111.4 | F357 D358 V359 N363 | F357-E361 WeakPolarHBondContact CA-OE2 3.25Å; F357-E361 HydrophobicContact CB-CB 4.3Å; D358-E361 HydrophobicContact CB-CG 4.34Å; D358-E361 PolarHBondContact N-OE2 2.88Å; D358-E361 VanDerWaalsContact N-OE2 3.08Å; D358-E361 WeakPolarHBondContact O-CA 3.45Å; D358-E361 WeakPolarHBondContact O-CB 3.45Å; D358-E361 PolarHBondContact O-N 3.04Å; V359-E361 VanDerWaalsContact C-N 3.29Å; V359-E361 PolarHBondContact O-N 2.89Å; E361-N363 PolarHBondContact O-N 3.07Å |
| 362 | L | 81.4 | Confident | 82.5 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -72.9 | 50.5 | 174.1 | -68.4 | 168 | 0 | 0 | 0 | 112.8 | I332 L354 F357 D358 V359 L446 N447 | I332-L362 HydrophobicContact CD1-CD2 3.9Å; L354-L362 HydrophobicContact CD2-CD2 4.23Å; F357-L362 HydrophobicContact CB-CG 4.47Å; D358-L362 PolarHBondContact O-N 3.12Å; V359-L362 PolarHBondContact O-N 3Å; L362-L446 HydrophobicContact CD1-CB 4.03Å; L362-L446 HydrophobicContact CD1-CD1 4.13Å; L362-N447 PolarHBondContact O-ND2 2.84Å |
| 363 | N | 81.9 | Confident | 82.7 | Confident | 82 Ų | 82 | 39 Ų | 39 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | trans | -76.4 | 153.8 | 178.1 | -76.8 | -59.7 | 0 | 0 | 0 | 112.7 | D360 E361 I365 A366 I367 | D360-N363 PolarHBondContact O-ND2 3.25Å; E361-N363 PolarHBondContact O-N 3.07Å; N363-I365 PolarHBondContact O-N 3.39Å; N363-I365 VanDerWaalsContact O-N 3.09Å; N363-A366 PolarHBondContact O-N 3.44Å; N363-I367 WeakPolarHBondContact O-CG1 3.38Å; N363-I367 PolarHBondContact O-N 3.4Å; N363-I367 VanDerWaalsContact O-N 3.09Å | ||
| 364 | P | 83.6 | Confident | 82.9 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.1 | -37.1 | 174.8 | -28.7 | 35.1 | 0 | 0 | 0 | 114.5 | I367 A368 L450 I454 I455 E458 | P364-I367 PolarHBondContact O-N 3.19Å; P364-A368 WeakPolarHBondContact O-CB 3.25Å; P364-A368 PolarHBondContact O-N 2.96Å; P364-L450 HydrophobicContact CG-CD2 3.82Å; P364-I454 HydrophobicContact CB-CG2 3.83Å; P364-I454 HydrophobicContact CG-CG2 3.85Å; P364-I455 HydrophobicContact CB-CG1 4.02Å; P364-E458 HydrophobicContact CB-CG 4.19Å |
| 365 | I | 85.1 | Confident | 82.9 | Confident | 74 Ų | 74 | 38.3 Ų | 38.3 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -46.8 | 177.9 | -52.6 | 175.6 | 0 | 0 | 0 | 111.6 | P329 N363 I367 A368 K369 E458 | P329-I365 HydrophobicContact CB-CB 4.37Å; P329-I365 HydrophobicContact CB-CG2 3.83Å; P329-I365 HydrophobicContact CG-CG2 4.01Å; N363-I365 PolarHBondContact O-N 3.39Å; N363-I365 VanDerWaalsContact O-N 3.09Å; I365-I367 VanDerWaalsContact C-N 3.28Å; I365-I367 PolarHBondContact O-N 2.92Å; I365-A368 PolarHBondContact O-N 3.19Å; I365-K369 WeakPolarHBondContact O-CG 3.35Å; I365-K369 PolarHBondContact O-N 3.44Å; I365-E458 HydrophobicContact CG1-CG 4.04Å |
| 366 | A | 85.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | P329 I332 N363 K369 C370 | P329-A366 HydrophobicContact CB-CB 4.11Å; P329-A366 WeakPolarHBondContact O-CA 3.17Å; P329-A366 WeakPolarHBondContact O-CB 3.45Å; I332-A366 HydrophobicContact CD1-CB 4.07Å; N363-A366 PolarHBondContact O-N 3.44Å; A366-K369 PolarHBondContact O-N 2.98Å; A366-C370 PolarHBondContact O-N 2.76Å; A366-C370 PolarHBondContact O-SG 3.05Å |
| 367 | I | 86.5 | Confident | 83.1 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -49.5 | 174.1 | -62.9 | 158.7 | 0 | 0 | 0 | 110.2 | N363 P364 I365 K369 C370 L371 F439 L443 L450 I455 | N363-I367 WeakPolarHBondContact O-CG1 3.38Å; N363-I367 PolarHBondContact O-N 3.4Å; N363-I367 VanDerWaalsContact O-N 3.09Å; P364-I367 PolarHBondContact O-N 3.19Å; I365-I367 VanDerWaalsContact C-N 3.28Å; I365-I367 PolarHBondContact O-N 2.92Å; I367-K369 PolarHBondContact O-N 3.4Å; I367-C370 CarbonylContact O-C 3.59Å; I367-C370 WeakPolarHBondContact O-CA 3.39Å; I367-C370 WeakPolarHBondContact O-CB 3.26Å; I367-C370 PolarHBondContact O-N 3.23Å; I367-L371 HydrophobicContact CG2-CD1 4.36Å; I367-L371 HydrophobicContact CG2-CG 4.38Å; I367-L371 WeakPolarHBondContact O-CG 3.19Å; I367-L371 PolarHBondContact O-N 3.13Å; I367-F439 HydrophobicContact CG2-CE1 4.46Å; I367-L443 HydrophobicContact CB-CD1 4.39Å; I367-L443 HydrophobicContact CD1-CD1 3.81Å; I367-L443 HydrophobicContact CD1-CD2 4.47Å; I367-L443 HydrophobicContact CD1-CG 4.19Å; I367-L443 HydrophobicContact CG1-CD1 3.78Å; I367-L443 HydrophobicContact CG2-CD1 3.69Å; I367-L450 HydrophobicContact CD1-CD1 3.41Å; I367-L450 VanDerWaalsContact CD1-CD1 3.41Å; I367-L450 HydrophobicContact CD1-CD2 3.69Å; I367-L450 HydrophobicContact CD1-CG 4.2Å; I367-I455 HydrophobicContact CB-CG2 4.37Å; I367-I455 HydrophobicContact CD1-CD1 4.31Å; I367-I455 HydrophobicContact CG2-CD1 4.13Å; I367-I455 HydrophobicContact CG2-CG1 4.4Å; I367-I455 HydrophobicContact CG2-CG2 3.75Å |
| 368 | A | 87.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.7 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | P364 I365 L371 C372 E458 L459 | P364-A368 WeakPolarHBondContact O-CB 3.25Å; P364-A368 PolarHBondContact O-N 2.96Å; I365-A368 PolarHBondContact O-N 3.19Å; A368-L371 PolarHBondContact O-N 3.13Å; A368-C372 PolarHBondContact O-N 3.38Å; A368-C372 PolarHBondContact O-SG 2.78Å; A368-E458 HydrophobicContact CB-CB 3.88Å; A368-E458 WeakPolarHBondContact CB-O 3.4Å; A368-L459 HydrophobicContact CB-CD2 3.93Å; A368-L459 HydrophobicContact CB-CG 4.4Å |
| 369 | K | 86.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 33 Ų | 33 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | 171.9 | -67.6 | -68 | -179.3 | 172.1 | 0 | 113.4 | Y330 A333 I365 A366 I367 L371 C372 L373 C461 E463 | Y330-K369 HydrophobicContact CD1-CD 4.16Å; Y330-K369 HydrophobicContact CD1-CG 4.49Å; Y330-K369 HydrophobicContact CE1-CD 3.65Å; Y330-K369 HydrophobicContact CE1-CG 4.35Å; Y330-K369 WeakPolarHBondContact OH-CE 3.34Å; Y330-K369 PolarHBondContact OH-NZ 2.95Å; A333-K369 HydrophobicContact CB-CB 4.27Å; I365-K369 WeakPolarHBondContact O-CG 3.35Å; I365-K369 PolarHBondContact O-N 3.44Å; A366-K369 PolarHBondContact O-N 2.98Å; I367-K369 PolarHBondContact O-N 3.4Å; K369-L371 VanDerWaalsContact C-N 3.33Å; K369-L371 PolarHBondContact O-N 3.38Å; K369-C372 PolarHBondContact O-N 3.17Å; K369-L373 PolarHBondContact O-N 3.36Å; K369-C461 PolarHBondContact NZ-SG 2.97Å; K369-E463 WeakPolarHBondContact CD-OE2 3.32Å; K369-E463 IonicContact NZ-OE1 3.39Å; K369-E463 PolarHBondContact NZ-OE1 3.45Å; K369-E463 IonicContact NZ-OE2 3.53Å; K369-E463 PolarHBondContact NZ-OE2 2.93Å |
| 370 | C | 86.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 172 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | L336 A366 I367 L373 F374 F439 | L336-C370 HydrophobicContact CD1-CB 4.01Å; A366-C370 PolarHBondContact O-N 2.76Å; A366-C370 PolarHBondContact O-SG 3.05Å; I367-C370 CarbonylContact O-C 3.59Å; I367-C370 WeakPolarHBondContact O-CA 3.39Å; I367-C370 WeakPolarHBondContact O-CB 3.26Å; I367-C370 PolarHBondContact O-N 3.23Å; C370-L373 WeakPolarHBondContact O-CB 3.32Å; C370-L373 PolarHBondContact O-N 3.09Å; C370-F374 HydrophobicContact CB-CZ 4.49Å; C370-F374 WeakPolarHBondContact O-CD1 3.29Å; C370-F374 WeakPolarHBondContact O-CD2 3.45Å; C370-F374 WeakPolarHBondContact O-CG 3.37Å; C370-F374 PolarHBondContact O-N 2.79Å; C370-F439 HydrophobicContact CB-CZ 3.93Å |
| 371 | L | 86.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.2 | -56.8 | 178.3 | 0 | 0 | 0 | 111.5 | I367 A368 K369 L373 F374 L375 F439 F440 I455 L459 F478 | I367-L371 HydrophobicContact CG2-CD1 4.36Å; I367-L371 HydrophobicContact CG2-CG 4.38Å; I367-L371 WeakPolarHBondContact O-CG 3.19Å; I367-L371 PolarHBondContact O-N 3.13Å; A368-L371 PolarHBondContact O-N 3.13Å; K369-L371 VanDerWaalsContact C-N 3.33Å; K369-L371 PolarHBondContact O-N 3.38Å; L371-L373 PolarHBondContact O-N 2.94Å; L371-F374 HydrophobicContact CD2-CD2 4.42Å; L371-F374 PolarHBondContact O-N 2.73Å; L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 3.25Å; L371-F439 HydrophobicContact CD2-CE1 4.48Å; L371-F440 HydrophobicContact CD1-CZ 4.26Å; L371-F440 HydrophobicContact CD2-CE2 3.68Å; L371-F440 HydrophobicContact CD2-CZ 3.78Å; L371-I455 HydrophobicContact CD1-CG2 3.59Å; L371-L459 HydrophobicContact CB-CD2 3.84Å; L371-L459 HydrophobicContact CD1-CD2 4.04Å; L371-F478 HydrophobicContact CB-CD2 4.41Å; L371-F478 HydrophobicContact CB-CE2 3.89Å; L371-F478 HydrophobicContact CB-CZ 4.1Å; L371-F478 HydrophobicContact CD2-CD1 3.68Å; L371-F478 HydrophobicContact CD2-CD2 4.19Å; L371-F478 HydrophobicContact CD2-CE1 3.31Å; L371-F478 HydrophobicContact CD2-CE2 3.88Å; L371-F478 HydrophobicContact CD2-CG 4.1Å; L371-F478 HydrophobicContact CD2-CZ 3.44Å; L371-F478 VanDerWaalsContact CD2-CZ 3.44Å; L371-F478 HydrophobicContact CG-CE2 4.37Å; L371-F478 HydrophobicContact CG-CZ 4.32Å |
| 372 | C | 86.9 | Confident | 79.9 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 175.3 | -66 | 0 | 0 | 0 | 0 | 112.5 | A368 K369 L375 R376 C461 E463 | A368-C372 PolarHBondContact O-N 3.38Å; A368-C372 PolarHBondContact O-SG 2.78Å; K369-C372 PolarHBondContact O-N 3.17Å; C372-L375 PolarHBondContact O-N 3.4Å; C372-R376 WeakPolarHBondContact O-CB 3.4Å; C372-R376 PolarHBondContact O-N 3.03Å; C372-C461 VanDerWaalsContact SG-SG 3.67Å; C372-E463 HydrophobicContact CB-CB 4.3Å |
| 373 | L | 85.2 | Confident | 78.3 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 169.7 | 168.6 | 69.7 | 0 | 0 | 0 | 111.1 | A333 L336 E337 K369 C370 L371 L375 R376 T377 W434 | A333-L373 HydrophobicContact CB-CD2 4.43Å; A333-L373 VanDerWaalsContact O-CD2 3.26Å; A333-L373 WeakPolarHBondContact O-CD2 3.45Å; L336-L373 HydrophobicContact CB-CD2 3.85Å; E337-L373 HydrophobicContact CB-CD1 3.75Å; E337-L373 HydrophobicContact CB-CD2 3.99Å; E337-L373 HydrophobicContact CG-CD1 3.74Å; E337-L373 WeakPolarHBondContact OE2-CD1 3.32Å; K369-L373 PolarHBondContact O-N 3.36Å; C370-L373 WeakPolarHBondContact O-CB 3.32Å; C370-L373 PolarHBondContact O-N 3.09Å; L371-L373 PolarHBondContact O-N 2.94Å; L373-L375 VanDerWaalsContact C-N 3.32Å; L373-L375 PolarHBondContact O-N 2.99Å; L373-R376 PolarHBondContact O-N 2.66Å; L373-T377 HydrophobicContact CD1-CG2 3.75Å; L373-T377 WeakPolarHBondContact O-CB 3.44Å; L373-T377 WeakPolarHBondContact O-CG2 3.38Å; L373-T377 PolarHBondContact O-N 3.39Å; L373-T377 PolarHBondContact O-OG1 3.38Å; L373-W434 HydrophobicContact CD2-CZ2 4.38Å; L373-W434 HydrophobicContact CG-CZ2 4.45Å |
| 374 | F | 86.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | -177.6 | -63.3 | -16.5 | 0 | 0 | 0 | 111.7 | L336 T344 C370 L371 T377 T378 W434 F439 L474 F478 | L336-F374 HydrophobicContact CB-CE1 4.5Å; L336-F374 HydrophobicContact CD1-CE1 4.12Å; L336-F374 HydrophobicContact CD1-CZ 3.97Å; T344-F374 HydrophobicContact CG2-CZ 4.16Å; C370-F374 HydrophobicContact CB-CZ 4.49Å; C370-F374 WeakPolarHBondContact O-CD1 3.29Å; C370-F374 WeakPolarHBondContact O-CD2 3.45Å; C370-F374 WeakPolarHBondContact O-CG 3.37Å; C370-F374 PolarHBondContact O-N 2.79Å; L371-F374 HydrophobicContact CD2-CD2 4.42Å; L371-F374 PolarHBondContact O-N 2.73Å; F374-T377 PolarHBondContact O-N 3.17Å; F374-T378 WeakPolarHBondContact O-CG2 3.36Å; F374-T378 PolarHBondContact O-N 3.37Å; F374-W434 HydrophobicContact CB-CG 4.14Å; F374-W434 HydrophobicContact CD1-CB 4.46Å; F374-W434 AromaticContact CD1-CD1 3.87Å; F374-W434 AromaticContact CD1-CD2 3.42Å; F374-W434 HydrophobicContact CD1-CD2 3.42Å; F374-W434 VanDerWaalsContact CD1-CD2 3.42Å; F374-W434 AromaticContact CD1-CE2 3.38Å; F374-W434 AromaticContact CD1-CE3 3.89Å; F374-W434 HydrophobicContact CD1-CE3 3.89Å; F374-W434 AromaticContact CD1-CG 3.72Å; F374-W434 HydrophobicContact CD1-CG 3.72Å; F374-W434 HydrophobicContact CD1-CH2 4.17Å; F374-W434 AromaticContact CD1-CZ2 3.74Å; F374-W434 HydrophobicContact CD1-CZ2 3.74Å; F374-W434 HydrophobicContact CD1-CZ3 4.25Å; F374-W434 AromaticContact CD1-NE1 3.7Å; F374-W434 AromaticContact CE1-CD2 3.66Å; F374-W434 HydrophobicContact CE1-CD2 3.66Å; F374-W434 AromaticContact CE1-CE2 3.87Å; F374-W434 AromaticContact CE1-CE3 3.59Å; F374-W434 HydrophobicContact CE1-CE3 3.59Å; F374-W434 HydrophobicContact CE1-CG 4.28Å; F374-W434 AromaticContact CE1-CH2 3.88Å; F374-W434 HydrophobicContact CE1-CH2 3.88Å; F374-W434 AromaticContact CE1-CZ2 3.95Å; F374-W434 HydrophobicContact CE1-CZ2 3.95Å; F374-W434 AromaticContact CE1-CZ3 3.72Å; F374-W434 HydrophobicContact CE1-CZ3 3.72Å; F374-W434 HydrophobicContact CG-CB 4.34Å; F374-W434 HydrophobicContact CG-CD2 4.14Å; F374-W434 AromaticContact CG-CG 3.94Å; F374-W434 HydrophobicContact CG-CG 3.94Å; F374-W434 HydrophobicContact CZ-CE3 4.29Å; F374-F439 HydrophobicContact CE2-CD1 4.03Å; F374-F439 HydrophobicContact CE2-CD2 4.08Å; F374-F439 HydrophobicContact CE2-CE1 4.11Å; F374-F439 HydrophobicContact CE2-CE2 4.16Å; F374-F439 HydrophobicContact CE2-CG 4.01Å; F374-F439 HydrophobicContact CE2-CZ 4.18Å; F374-F439 AromaticContact CZ-CD2 4Å; F374-F439 HydrophobicContact CZ-CD2 4Å; F374-F439 AromaticContact CZ-CE2 3.99Å; F374-F439 HydrophobicContact CZ-CE2 3.99Å; F374-F439 HydrophobicContact CZ-CG 4.38Å; F374-F439 HydrophobicContact CZ-CZ 4.36Å; F374-L474 HydrophobicContact CB-CD2 4.05Å; F374-F478 HydrophobicContact CB-CZ 3.99Å; F374-F478 HydrophobicContact CD2-CE1 4.21Å; F374-F478 AromaticContact CD2-CZ 3.92Å; F374-F478 HydrophobicContact CD2-CZ 3.92Å; F374-F478 HydrophobicContact CG-CZ 4.49Å |
| 375 | L | 84.7 | Confident | 74.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -52.4 | 173.2 | -64.5 | 171.9 | 0 | 0 | 0 | 111.7 | L371 C372 L373 T377 T378 F464 S471 L474 F475 F478 | L371-L375 WeakPolarHBondContact O-CG 3.39Å; L371-L375 PolarHBondContact O-N 3.25Å; C372-L375 PolarHBondContact O-N 3.4Å; L373-L375 VanDerWaalsContact C-N 3.32Å; L373-L375 PolarHBondContact O-N 2.99Å; L375-T377 PolarHBondContact O-N 3.29Å; L375-T377 VanDerWaalsContact O-N 3.16Å; L375-T378 PolarHBondContact O-N 2.99Å; L375-T378 PolarHBondContact O-OG1 3.36Å; L375-F464 HydrophobicContact CD1-CD2 3.85Å; L375-F464 HydrophobicContact CD1-CE2 3.49Å; L375-F464 VanDerWaalsContact CD1-CE2 3.49Å; L375-F464 HydrophobicContact CD1-CZ 4.33Å; L375-S471 WeakPolarHBondContact CD2-O 3.46Å; L375-L474 HydrophobicContact CD2-CD2 4.18Å; L375-F475 HydrophobicContact CD1-CD2 4.36Å; L375-F475 HydrophobicContact CD2-CB 3.86Å; L375-F478 HydrophobicContact CD2-CE2 4Å; L375-F478 HydrophobicContact CG-CE2 4.08Å |
| 376 | R | 83.8 | Confident | 72.4 | Confident | 110 Ų | 110 | 36.6 Ų | 36.6 | 42% | 0.415 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.2 | -27.3 | 179.8 | 175.8 | 169.6 | 62.1 | 89.7 | -6.9 | 113.6 | E337 C372 L373 | E337-R376 VanDerWaalsContact CD-NH2 3.32Å; E337-R376 IonicContact OE1-CZ 2.64Å; E337-R376 IonicContact OE1-NH1 2.6Å; E337-R376 PolarHBondContact OE1-NH1 2.87Å; E337-R376 IonicContact OE1-NH2 2.77Å; E337-R376 PolarHBondContact OE1-NH2 3.06Å; E337-R376 IonicContact OE2-CZ 2.75Å; E337-R376 IonicContact OE2-NH1 2.65Å; E337-R376 IonicContact OE2-NH2 2.9Å; E337-R376 PolarHBondContact OE2-NH2 2.78Å; C372-R376 WeakPolarHBondContact O-CB 3.4Å; C372-R376 PolarHBondContact O-N 3.03Å; L373-R376 PolarHBondContact O-N 2.66Å |
| 377 | T | 80.8 | Confident | 70 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 8.9 | -172.3 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | Y341 L373 F374 L375 D379 L382 W434 | Y341-T377 PolarHBondContact OH-O 3.29Å; L373-T377 HydrophobicContact CD1-CG2 3.75Å; L373-T377 WeakPolarHBondContact O-CB 3.44Å; L373-T377 WeakPolarHBondContact O-CG2 3.38Å; L373-T377 PolarHBondContact O-N 3.39Å; L373-T377 PolarHBondContact O-OG1 3.38Å; F374-T377 PolarHBondContact O-N 3.17Å; L375-T377 PolarHBondContact O-N 3.29Å; L375-T377 VanDerWaalsContact O-N 3.16Å; T377-D379 PolarHBondContact O-N 3.26Å; T377-L382 HydrophobicContact CG2-CD1 4.13Å; T377-L382 HydrophobicContact CG2-CG 4.06Å; T377-W434 PolarHBondContact OG1-NE1 3.25Å |
| 378 | T | 73.7 | Confident | 67.7 | Low | 16 Ų | 16 | 45.5 Ų | 45.5 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.2 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | F374 L375 G380 S471 L474 | F374-T378 WeakPolarHBondContact O-CG2 3.36Å; F374-T378 PolarHBondContact O-N 3.37Å; L375-T378 PolarHBondContact O-N 2.99Å; L375-T378 PolarHBondContact O-OG1 3.36Å; T378-G380 PolarHBondContact O-N 3.5Å; T378-S471 WeakPolarHBondContact OG1-CB 3.22Å; T378-S471 PolarHBondContact OG1-N 3.47Å; T378-L474 HydrophobicContact CG2-CB 4.06Å; T378-L474 HydrophobicContact CG2-CD1 3.58Å; T378-L474 HydrophobicContact CG2-CD2 4.45Å; T378-L474 HydrophobicContact CG2-CG 4.21Å |
| 379 | D | 66 | Low | 65.2 | Low | 62 Ų | 62 | 51.8 Ų | 51.8 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 28.7 | -173.4 | -56.8 | -32.7 | 0 | 0 | 0 | 113 | T377 Q381 T467 S468 | T377-D379 PolarHBondContact O-N 3.26Å; D379-Q381 HydrophobicContact CB-CG 4.44Å; D379-Q381 PolarHBondContact O-N 3.19Å; D379-Q381 VanDerWaalsContact O-N 3.12Å; D379-T467 PolarHBondContact OD2-OG1 3.19Å; D379-S468 WeakPolarHBondContact OD1-CB 3.46Å; D379-S468 PolarHBondContact OD1-OG 3.36Å |
| 380 | G | 61.3 | Low | 62.6 | Low | 16 Ų | 16 | 57.1 Ų | 57.1 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 69.4 | 2.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y341 T378 L382 N383 | Y341-G380 WeakPolarHBondContact OH-CA 3.31Å; T378-G380 PolarHBondContact O-N 3.5Å; G380-L382 PolarHBondContact O-N 2.84Å; G380-L382 VanDerWaalsContact O-N 3.11Å; G380-N383 PolarHBondContact O-N 3.25Å |
| 381 | Q | 57.3 | Low | 60 | Low | 103 Ų | 103 | 64.7 Ų | 64.7 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -23.9 | -166 | -62.8 | -155.8 | 6.9 | 0 | 0 | 115.1 | D379 N383 I384 I385 | D379-Q381 HydrophobicContact CB-CG 4.44Å; D379-Q381 PolarHBondContact O-N 3.19Å; D379-Q381 VanDerWaalsContact O-N 3.12Å; Q381-N383 PolarHBondContact O-N 2.97Å; Q381-I384 PolarHBondContact O-N 3.31Å; Q381-I385 PolarHBondContact O-N 3.14Å |
| 382 | L | 59.5 | Low | 57.5 | Low | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -53.8 | -33.3 | 172 | -87.6 | 162.9 | 0 | 0 | 0 | 113.2 | E337 Y341 T377 G380 W434 | E337-L382 HydrophobicContact CG-CD2 3.99Å; E337-L382 VanDerWaalsContact O-CD2 3.32Å; E337-L382 WeakPolarHBondContact O-CD2 3.24Å; Y341-L382 HydrophobicContact CD1-CD1 4.29Å; Y341-L382 HydrophobicContact CD2-CD1 4.46Å; Y341-L382 HydrophobicContact CE1-CD1 3.81Å; Y341-L382 HydrophobicContact CE2-CB 3.8Å; Y341-L382 HydrophobicContact CE2-CD1 4Å; T377-L382 HydrophobicContact CG2-CD1 4.13Å; T377-L382 HydrophobicContact CG2-CG 4.06Å; G380-L382 PolarHBondContact O-N 2.84Å; G380-L382 VanDerWaalsContact O-N 3.11Å; L382-W434 HydrophobicContact CD1-CH2 4.2Å; L382-W434 HydrophobicContact CD1-CZ2 3.53Å |
| 383 | N | 47.6 | Very low | 54.8 | Low | 90 Ų | 90 | 78.4 Ų | 78.4 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -86.4 | -18.1 | 177.7 | -68.8 | -15.7 | 0 | 0 | 0 | 113.1 | G380 Q381 N387 | G380-N383 PolarHBondContact O-N 3.25Å; Q381-N383 PolarHBondContact O-N 2.97Å; N383-N387 PolarHBondContact O-ND2 3.13Å |
| 384 | I | 45.6 | Very low | 52.4 | Low | 102 Ų | 102 | 87.4 Ų | 87.4 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -81.4 | -44.3 | -176.5 | -58.8 | 179.9 | 0 | 0 | 0 | 110.4 | Q381 K386 N387 S388 | Q381-I384 PolarHBondContact O-N 3.31Å; I384-K386 VanDerWaalsContact C-N 3.25Å; I384-K386 PolarHBondContact O-N 2.8Å; I384-N387 PolarHBondContact O-N 2.98Å; I384-S388 PolarHBondContact O-N 3.47Å |
| 385 | I | 41.2 | Very low | 49.7 | Very low | 114 Ų | 114 | 93.8 Ų | 93.8 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.1 | -33.9 | -178.4 | -62.8 | 172.7 | 0 | 0 | 0 | 111.8 | Q381 | Q381-I385 PolarHBondContact O-N 3.14Å |
| 386 | K | 40.3 | Very low | 47.3 | Very low | 107 Ų | 107 | 99.1 Ų | 99.1 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -16.6 | 178.3 | -66.8 | -178.5 | -179.7 | 175.8 | 0 | 113.7 | E338 I384 | E338-K386 PolarHBondContact O-NZ 3.39Å; I384-K386 VanDerWaalsContact C-N 3.25Å; I384-K386 PolarHBondContact O-N 2.8Å |
| 387 | N | 36.4 | Very low | 45.1 | Very low | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -23 | -173.2 | -77.6 | -14.4 | 0 | 0 | 0 | 115.5 | N383 I384 N389 L390 | N383-N387 PolarHBondContact O-ND2 3.13Å; I384-N387 PolarHBondContact O-N 2.98Å; N387-N389 VanDerWaalsContact C-N 3.26Å; N387-N389 PolarHBondContact O-N 3.37Å; N387-L390 HydrophobicContact CB-CD1 4.43Å |
| 388 | S | 37.5 | Very low | 43 | Very low | 89 Ų | 89 | 105 Ų | 105 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -17.8 | -175.8 | 66.8 | 0 | 0 | 0 | 0 | 114.9 | I384 | I384-S388 PolarHBondContact O-N 3.47Š|
| 389 | N | 34.4 | Very low | 41.1 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 71% | 0.711 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 12.8 | -173.8 | -64 | -2.7 | 0 | 0 | 0 | 113.2 | N387 N391 | N387-N389 VanDerWaalsContact C-N 3.26Å; N387-N389 PolarHBondContact O-N 3.37Å; N389-N391 VanDerWaalsContact C-N 3.28Å; N389-N391 PolarHBondContact O-N 3.23Å |
| 390 | L | 32.3 | Very low | 39.7 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 75.9 | 179.6 | -69.1 | 174 | 0 | 0 | 0 | 112 | N387 | N387-L390 HydrophobicContact CB-CD1 4.43Š|
| 391 | N | 32.8 | Very low | 38.4 | Very low | 160 Ų | 160 | 118.8 Ų | 118.8 | 86% | 0.856 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | -6.3 | 165.2 | -112.4 | -23.7 | 0 | 0 | 0 | 113.8 | N389 | N389-N391 VanDerWaalsContact C-N 3.28Å; N389-N391 PolarHBondContact O-N 3.23Å |
| 392 | D | 34.5 | Very low | 37.4 | Very low | 149 Ų | 149 | 119.1 Ų | 119.1 | 80% | 0.797 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -113.1 | 132.2 | 174.8 | -83.5 | -55.7 | 0 | 0 | 0 | 111.2 | Y394 | D392-Y394 PolarHBondContact O-N 2.99Š|
| 393 | N | 28.2 | Very low | 36.6 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | trans | -69.8 | 107.5 | -165.5 | -53.4 | -89.4 | 0 | 0 | 0 | 114 | ||||
| 394 | Y | 35.1 | Very low | 36.6 | Very low | 194 Ų | 194 | 121 Ų | 121 | 76% | 0.761 | 62% | 0.624 | S | S | * | * | trans | -155.7 | 85.1 | 158.4 | -90.7 | -67.3 | 0 | 0 | 0 | 112.3 | D392 N396 | D392-Y394 PolarHBondContact O-N 2.99Å; Y394-N396 PolarHBondContact O-N 3.33Å | ||
| 395 | D | 29.9 | Very low | 36.4 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 72% | 0.717 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 9.6 | -177.8 | -58.6 | -61.6 | 0 | 0 | 0 | 115.9 | ||
| 396 | N | 34.4 | Very low | 35.9 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -14.8 | -165.8 | -68.1 | -19.5 | 0 | 0 | 0 | 114.9 | Y394 | Y394-N396 PolarHBondContact O-N 3.33Š|
| 397 | I | 39.1 | Very low | 35.6 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 66% | 0.656 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -28.2 | -172.4 | -63.8 | 176.7 | 0 | 0 | 0 | 111.9 | F399 | I397-F399 VanDerWaalsContact C-N 3.26Å; I397-F399 PolarHBondContact O-N 3.27Å |
| 398 | T | 35.2 | Very low | 35.4 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 68% | 0.681 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -17.5 | -177.9 | -28.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 399 | F | 34.5 | Very low | 35.1 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75 | -25.2 | -173 | -98.4 | -83.1 | 0 | 0 | 0 | 115 | I397 | I397-F399 VanDerWaalsContact C-N 3.26Å; I397-F399 PolarHBondContact O-N 3.27Å |
| 400 | Y | 37.2 | Very low | 34.8 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 70% | 0.698 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.6 | -37.8 | -174.2 | -95.1 | -85.9 | 0 | 0 | 0 | 113.8 | N402 A403 | Y400-N402 PolarHBondContact O-N 2.92Å; Y400-A403 PolarHBondContact O-N 3.26Å |
| 401 | N | 34.2 | Very low | 34.7 | Very low | 45 Ų | 45 | 132.3 Ų | 132.3 | 24% | 0.241 | 66% | 0.664 | C | S | . | * | H | α-helix | trans | -69.8 | -33.3 | -178.2 | -77.7 | 26.4 | 0 | 0 | 0 | 113 | L339 F405 | L339-N401 PolarHBondContact O-ND2 3.24Å; N401-F405 WeakPolarHBondContact O-CD2 3.45Å |
| 402 | N | 35.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.9 | -26.2 | 178.1 | -73.8 | 2.3 | 0 | 0 | 0 | 112.9 | Y400 I404 H406 | Y400-N402 PolarHBondContact O-N 2.92Å; N402-I404 VanDerWaalsContact C-N 3.34Å; N402-I404 PolarHBondContact O-N 2.94Å; N402-H406 PolarHBondContact O-N 3.06Å |
| 403 | A | 42.6 | Very low | 34.6 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 54% | 0.537 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -76.1 | -19.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y400 | Y400-A403 PolarHBondContact O-N 3.26Å |
| 404 | I | 46.8 | Very low | 34.4 | Very low | 79.5 Ų | 79.5 | 133.1 Ų | 133.1 | 41% | 0.408 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.1 | -29.8 | -176.1 | -62.5 | 176.3 | 0 | 0 | 0 | 112.1 | N402 | N402-I404 VanDerWaalsContact C-N 3.34Å; N402-I404 PolarHBondContact O-N 2.94Å |
| 405 | F | 42.2 | Very low | 34.1 | Very low | 52 Ų | 52 | 131 Ų | 131 | 23% | 0.228 | 66% | 0.657 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -112.7 | 2.8 | -170.6 | -58.6 | -53.8 | 0 | 0 | 0 | 115.8 | C343 V353 N401 | C343-F405 HydrophobicContact CB-CE2 4.25Å; C343-F405 HydrophobicContact CB-CZ 4.26Å; V353-F405 HydrophobicContact CG2-CZ 3.91Å; N401-F405 WeakPolarHBondContact O-CD2 3.45Å |
| 406 | H | 30.6 | Very low | 34.2 | Very low | 156.5 Ų | 156.5 | 130.7 Ų | 130.7 | 73% | 0.725 | 67% | 0.665 | S | S | * | * | trans | -112.2 | 86.6 | 169.8 | -95.4 | -71 | 0 | 0 | 0 | 111.1 | N402 | N402-H406 PolarHBondContact O-N 3.06Š| ||
| 407 | Y | 33.3 | Very low | 33.9 | Very low | 212.5 Ų | 212.5 | 134 Ų | 134 | 83% | 0.833 | 68% | 0.677 | S | S | * | * | trans | -108.6 | 103.4 | 157.8 | -88.6 | -85.4 | 0 | 0 | 0 | 108.5 | D409 | Y407-D409 PolarHBondContact O-N 3.3Å; Y407-D409 VanDerWaalsContact O-N 3.08Å | ||
| 408 | D | 32.1 | Very low | 33.5 | Very low | 142.5 Ų | 142.5 | 134.6 Ų | 134.6 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -106.4 | 124.2 | 163.1 | -101.7 | -21.5 | 0 | 0 | 0 | 110.8 | N410 | D408-N410 WeakPolarHBondContact CB-ND2 3.42Å; D408-N410 PolarHBondContact O-N 2.98Å | ||
| 409 | D | 31.4 | Very low | 33.3 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -28.9 | 96.4 | 162.2 | -79.6 | -22.9 | 0 | 0 | 0 | 114.2 | Y407 D411 | Y407-D409 PolarHBondContact O-N 3.3Å; Y407-D409 VanDerWaalsContact O-N 3.08Å; D409-D411 PolarHBondContact O-N 3.28Å | ||
| 410 | N | 29.2 | Very low | 33 | Very low | 139.5 Ų | 139.5 | 139.5 Ų | 139.5 | 75% | 0.746 | 70% | 0.696 | S | S | * | * | -130.5 | 109.6 | 126.4 | -85.1 | -64.3 | 0 | 0 | 0 | 108.9 | D408 | D408-N410 WeakPolarHBondContact CB-ND2 3.42Å; D408-N410 PolarHBondContact O-N 2.98Å | |||
| 411 | D | 30.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -157.5 | 100.4 | 155.4 | -130.1 | -8.6 | 0 | 0 | 0 | 113.3 | D409 | D409-D411 PolarHBondContact O-N 3.28Š| ||
| 412 | E | 31.4 | Very low | 32.1 | Very low | 147.5 Ų | 147.5 | 141.6 Ų | 141.6 | 69% | 0.689 | 73% | 0.728 | S | S | * | * | trans | 141.8 | 115.8 | 148.7 | -78.4 | -150.7 | 146.7 | 0 | 0 | 117.4 | ||||
| 413 | R | 32.6 | Very low | 31.6 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | 86.4 | 97.7 | 143.1 | -66.8 | 177.3 | -174.3 | 177.4 | 9.6 | 120.4 | ||||
| 414 | C | 25.3 | Very low | 30.9 | Very low | 109.5 Ų | 109.5 | 149.4 Ų | 149.4 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | 15.9 | 114.8 | 132.4 | -64.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 415 | D | 27.8 | Very low | 29.9 | Very low | 149.5 Ų | 149.5 | 151.7 Ų | 151.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | 117.4 | 101.1 | 124.1 | -67.1 | -27 | 0 | 0 | 0 | 114.5 | |||||
| 416 | S | 33.2 | Very low | 29.2 | Very low | 127.5 Ų | 127.5 | 154.6 Ų | 154.6 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | -170.6 | 138.4 | 127.4 | 18.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 417 | E | 27.8 | Very low | 29.1 | Very low | 182.5 Ų | 182.5 | 155.8 Ų | 155.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -81.7 | 143.7 | -176.5 | -53.5 | 175.9 | 135.2 | 0 | 0 | 112.2 | ||||
| 418 | D | 30.2 | Very low | 28.8 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | 118.6 | 133.2 | 126.7 | -95.1 | -28.5 | 0 | 0 | 0 | 117.9 | |||||
| 419 | K | 30.6 | Very low | 28.7 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -109.5 | 126.6 | 162.4 | -62.4 | 168 | -174.8 | 123 | 0 | 113 | S421 | K419-S421 PolarHBondContact O-N 3.43Š| ||
| 420 | Q | 27.7 | Very low | 29 | Very low | 188.5 Ų | 188.5 | 147.6 Ų | 147.6 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -124.6 | 117.9 | 150 | -84.6 | 167.5 | -11 | 0 | 0 | 110.1 | ||||
| 421 | S | 27.5 | Very low | 29.6 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | 144.6 | 103.7 | 112.5 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | K419 E423 | K419-S421 PolarHBondContact O-N 3.43Å; S421-E423 PolarHBondContact O-N 3.06Å | |||
| 422 | D | 25.6 | Very low | 31 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -0.9 | 80.9 | 158.5 | -65.7 | -27.8 | 0 | 0 | 0 | 115.1 | ||
| 423 | E | 26.4 | Very low | 32.9 | Very low | 174.5 Ų | 174.5 | 136.5 Ų | 136.5 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | -152.2 | 102.3 | 147.7 | -98.7 | -176.1 | 175.1 | 0 | 0 | 109.9 | S421 T425 | S421-E423 PolarHBondContact O-N 3.06Å; E423-T425 HydrophobicContact CB-CG2 4.34Å; E423-T425 PolarHBondContact O-N 2.88Å; E423-T425 PolarHBondContact O-OG1 2.72Å | ||
| 424 | L | 27.8 | Very low | 35.2 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -110.2 | 64.1 | 164.7 | -101.5 | 161.9 | 0 | 0 | 0 | 111.9 | T426 | L424-T426 WeakPolarHBondContact CD2-OG1 3.45Å; L424-T426 PolarHBondContact O-N 3.04Å; L424-T426 VanDerWaalsContact O-N 3.15Å | ||
| 425 | T | 25.2 | Very low | 37.9 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -77.4 | 73.4 | 172 | 42.1 | 0 | 0 | 0 | 0 | 110.6 | E423 | E423-T425 HydrophobicContact CB-CG2 4.34Å; E423-T425 PolarHBondContact O-N 2.88Å; E423-T425 PolarHBondContact O-OG1 2.72Å | ||
| 426 | T | 27.1 | Very low | 40.4 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | 121.2 | 90.1 | 153.3 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | L424 S428 | L424-T426 WeakPolarHBondContact CD2-OG1 3.45Å; L424-T426 PolarHBondContact O-N 3.04Å; L424-T426 VanDerWaalsContact O-N 3.15Å; T426-S428 PolarHBondContact O-N 3.35Å; T426-S428 VanDerWaalsContact O-N 3.07Å | ||
| 427 | L | 27.9 | Very low | 42.7 | Very low | 180.5 Ų | 180.5 | 114.3 Ų | 114.3 | 95% | 0.945 | 64% | 0.637 | S | S | * | * | trans | -59.1 | 100.7 | 150.8 | -83.1 | 156.9 | 0 | 0 | 0 | 110 | S429 | L427-S429 PolarHBondContact O-N 3.17Š| ||
| 428 | S | 28.1 | Very low | 45.3 | Very low | 106.5 Ų | 106.5 | 106.8 Ų | 106.8 | 75% | 0.745 | 60% | 0.603 | S | S | * | * | trans | -62.6 | 125.8 | -175.9 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | T426 V430 | T426-S428 PolarHBondContact O-N 3.35Å; T426-S428 VanDerWaalsContact O-N 3.07Å; S428-V430 PolarHBondContact O-N 3.25Å | ||
| 429 | S | 29.3 | Very low | 47.9 | Very low | 107.5 Ų | 107.5 | 100.3 Ų | 100.3 | 75% | 0.752 | 57% | 0.568 | S | S | * | * | trans | -4.2 | 95.4 | 163 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | L427 S431 | L427-S429 PolarHBondContact O-N 3.17Å; S429-S431 PolarHBondContact O-N 3.38Å | ||
| 430 | V | 38.5 | Very low | 50.4 | Low | 123 Ų | 123 | 91.8 Ų | 91.8 | 75% | 0.745 | 53% | 0.531 | S | S | * | . | trans | -62.7 | 109 | 164.9 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | S428 S432 | S428-V430 PolarHBondContact O-N 3.25Å; V430-S432 PolarHBondContact O-N 3.3Å | ||
| 431 | S | 41.6 | Very low | 53 | Low | 81.5 Ų | 81.5 | 86.2 Ų | 86.2 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | trans | -65.3 | 99.9 | -176.2 | -8.1 | 0 | 0 | 0 | 0 | 111 | S429 S433 | S429-S431 PolarHBondContact O-N 3.38Å; S431-S433 PolarHBondContact O-N 3.12Å; S431-S433 VanDerWaalsContact O-N 3.15Å | ||
| 432 | S | 59.8 | Low | 55.6 | Low | 63 Ų | 63 | 81.3 Ų | 81.3 | 44% | 0.441 | 48% | 0.475 | S | S | . | . | trans | -83.1 | 48.2 | -177.1 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | V430 | V430-S432 PolarHBondContact O-N 3.3Š| ||
| 433 | S | 71.2 | Confident | 58.4 | Low | 65.5 Ų | 65.5 | 73.6 Ų | 73.6 | 46% | 0.458 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -145.8 | 142.6 | -174.6 | 121.2 | 0 | 0 | 0 | 0 | 112 | S431 | S431-S433 PolarHBondContact O-N 3.12Å; S431-S433 VanDerWaalsContact O-N 3.15Å |
| 434 | W | 80.1 | Confident | 61.1 | Low | 6.5 Ų | 6.5 | 69 Ų | 69 | 3% | 0.025 | 41% | 0.41 | C | S | . | . | trans | -61.9 | 134.2 | 170 | -60 | 107 | 0 | 0 | 0 | 111.2 | L336 Y341 T344 L373 F374 T377 L382 I436 L474 | L336-W434 HydrophobicContact CB-CH2 4.47Å; L336-W434 WeakPolarHBondContact O-CH2 3.44Å; Y341-W434 AromaticContact CD1-CD2 3.68Å; Y341-W434 HydrophobicContact CD1-CD2 3.68Å; Y341-W434 AromaticContact CD1-CE2 3.69Å; Y341-W434 HydrophobicContact CD1-CE3 4.17Å; Y341-W434 AromaticContact CD1-CG 3.96Å; Y341-W434 HydrophobicContact CD1-CG 3.96Å; Y341-W434 HydrophobicContact CD1-CZ2 4.27Å; Y341-W434 AromaticContact CD1-NE1 3.82Å; Y341-W434 AromaticContact CE1-CD1 3.92Å; Y341-W434 HydrophobicContact CE1-CD2 4.23Å; Y341-W434 AromaticContact CE1-CE2 3.85Å; Y341-W434 HydrophobicContact CE1-CG 4.32Å; Y341-W434 HydrophobicContact CE1-CZ2 4.45Å; Y341-W434 AromaticContact CE1-NE1 3.56Å; T344-W434 HydrophobicContact CG2-CE3 3.52Å; T344-W434 HydrophobicContact CG2-CZ3 3.95Å; L373-W434 HydrophobicContact CD2-CZ2 4.38Å; L373-W434 HydrophobicContact CG-CZ2 4.45Å; F374-W434 HydrophobicContact CB-CG 4.14Å; F374-W434 HydrophobicContact CD1-CB 4.46Å; F374-W434 AromaticContact CD1-CD1 3.87Å; F374-W434 AromaticContact CD1-CD2 3.42Å; F374-W434 HydrophobicContact CD1-CD2 3.42Å; F374-W434 VanDerWaalsContact CD1-CD2 3.42Å; F374-W434 AromaticContact CD1-CE2 3.38Å; F374-W434 AromaticContact CD1-CE3 3.89Å; F374-W434 HydrophobicContact CD1-CE3 3.89Å; F374-W434 AromaticContact CD1-CG 3.72Å; F374-W434 HydrophobicContact CD1-CG 3.72Å; F374-W434 HydrophobicContact CD1-CH2 4.17Å; F374-W434 AromaticContact CD1-CZ2 3.74Å; F374-W434 HydrophobicContact CD1-CZ2 3.74Å; F374-W434 HydrophobicContact CD1-CZ3 4.25Å; F374-W434 AromaticContact CD1-NE1 3.7Å; F374-W434 AromaticContact CE1-CD2 3.66Å; F374-W434 HydrophobicContact CE1-CD2 3.66Å; F374-W434 AromaticContact CE1-CE2 3.87Å; F374-W434 AromaticContact CE1-CE3 3.59Å; F374-W434 HydrophobicContact CE1-CE3 3.59Å; F374-W434 HydrophobicContact CE1-CG 4.28Å; F374-W434 AromaticContact CE1-CH2 3.88Å; F374-W434 HydrophobicContact CE1-CH2 3.88Å; F374-W434 AromaticContact CE1-CZ2 3.95Å; F374-W434 HydrophobicContact CE1-CZ2 3.95Å; F374-W434 AromaticContact CE1-CZ3 3.72Å; F374-W434 HydrophobicContact CE1-CZ3 3.72Å; F374-W434 HydrophobicContact CG-CB 4.34Å; F374-W434 HydrophobicContact CG-CD2 4.14Å; F374-W434 AromaticContact CG-CG 3.94Å; F374-W434 HydrophobicContact CG-CG 3.94Å; F374-W434 HydrophobicContact CZ-CE3 4.29Å; T377-W434 PolarHBondContact OG1-NE1 3.25Å; L382-W434 HydrophobicContact CD1-CH2 4.2Å; L382-W434 HydrophobicContact CD1-CZ2 3.53Å; W434-I436 PolarHBondContact O-N 3.09Å; W434-L474 HydrophobicContact CB-CD1 4.38Å | ||
| 435 | N | 82 | Confident | 63.7 | Low | 54 Ų | 54 | 66.3 Ų | 66.3 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | trans | -93.1 | 99.7 | 172.7 | -176.9 | -16.7 | 0 | 0 | 0 | 109.9 | T344 D437 N438 F439 | T344-N435 WeakPolarHBondContact O-CB 3.23Å; T344-N435 PolarHBondContact OG1-N 3.02Å; N435-D437 PolarHBondContact OD1-N 2.93Å; N435-D437 VanDerWaalsContact OD1-N 3.12Å; N435-N438 PolarHBondContact ND2-ND2 3.12Å; N435-N438 VanDerWaalsContact ND2-ND2 3.12Å; N435-N438 PolarHBondContact OD1-N 3.17Å; N435-F439 PolarHBondContact O-N 3.35Å | ||
| 436 | I | 80.4 | Confident | 66.4 | Low | 2.5 Ų | 2.5 | 62.7 Ų | 62.7 | 1% | 0.013 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.7 | -38.5 | -176.1 | -59.5 | 173.5 | 0 | 0 | 0 | 111.7 | W434 N438 F439 F440 L474 Q477 F478 | W434-I436 PolarHBondContact O-N 3.09Å; I436-N438 VanDerWaalsContact C-N 3.33Å; I436-N438 PolarHBondContact O-N 2.97Å; I436-F439 WeakPolarHBondContact O-CB 3.41Å; I436-F439 PolarHBondContact O-N 3Å; I436-F439 VanDerWaalsContact O-N 3.11Å; I436-F440 HydrophobicContact CG2-CD2 3.47Å; I436-F440 VanDerWaalsContact CG2-CD2 3.42Å; I436-F440 HydrophobicContact CG2-CE2 3.7Å; I436-F440 PolarHBondContact O-N 3.12Å; I436-L474 HydrophobicContact CD1-CB 4.41Å; I436-L474 HydrophobicContact CD1-CD1 4Å; I436-L474 HydrophobicContact CD1-CD2 3.71Å; I436-L474 HydrophobicContact CD1-CG 3.51Å; I436-L474 VanDerWaalsContact CD1-CG 3.46Å; I436-L474 WeakPolarHBondContact CD1-O 3.36Å; I436-L474 HydrophobicContact CG1-CD1 4Å; I436-L474 HydrophobicContact CG1-CD2 4.34Å; I436-L474 HydrophobicContact CG1-CG 4.3Å; I436-Q477 HydrophobicContact CD1-CB 3.63Å; I436-Q477 VanDerWaalsContact CD1-CB 3.48Å; I436-F478 HydrophobicContact CB-CD1 4.42Å; I436-F478 HydrophobicContact CB-CE1 4.27Å; I436-F478 HydrophobicContact CD1-CD1 3.73Å; I436-F478 VanDerWaalsContact CD1-CD1 3.49Å; I436-F478 HydrophobicContact CD1-CE1 3.45Å; I436-F478 HydrophobicContact CD1-CG 4.31Å; I436-F478 HydrophobicContact CD1-CZ 4.21Å; I436-F478 HydrophobicContact CG1-CD1 4.18Å; I436-F478 HydrophobicContact CG1-CE1 3.6Å; I436-F478 HydrophobicContact CG1-CZ 4.39Å; I436-F478 HydrophobicContact CG2-CD1 3.61Å; I436-F478 HydrophobicContact CG2-CE1 3.7Å |
| 437 | D | 81.5 | Confident | 69.1 | Low | 65.5 Ų | 65.5 | 57.9 Ų | 57.9 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | -172.3 | -61.5 | -14 | 0 | 0 | 0 | 110.1 | N435 F439 T441 N481 N482 | N435-D437 PolarHBondContact OD1-N 2.93Å; N435-D437 VanDerWaalsContact OD1-N 3.12Å; D437-F439 VanDerWaalsContact C-N 3.35Å; D437-T441 VanDerWaalsContact O-CB 3.23Å; D437-T441 WeakPolarHBondContact O-CB 3.29Å; D437-T441 PolarHBondContact O-N 3.12Å; D437-T441 PolarHBondContact O-OG1 3.36Å; D437-N481 VanDerWaalsContact OD1-CG 3.27Å; D437-N481 PolarHBondContact OD1-ND2 2.83Å; D437-N481 PolarHBondContact OD1-OD1 3.13Å; D437-N482 PolarHBondContact OD1-ND2 3.18Å; D437-N482 PolarHBondContact OD2-ND2 3.03Å |
| 438 | N | 84 | Confident | 71.4 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 172.1 | -69.1 | -9.1 | 0 | 0 | 0 | 111.6 | T344 K345 T346 T350 N435 I436 T441 I442 | T344-N438 WeakPolarHBondContact O-CB 3.46Å; T344-N438 PolarHBondContact O-ND2 2.88Å; K345-N438 VanDerWaalsContact C-ND2 3.26Å; K345-N438 PolarHBondContact O-ND2 3.38Å; T346-N438 VanDerWaalsContact C-ND2 3.34Å; T346-N438 WeakPolarHBondContact CA-ND2 3.38Å; T346-N438 PolarHBondContact N-ND2 3.14Å; T350-N438 HydrophobicContact CG2-CB 4.01Å; N435-N438 PolarHBondContact ND2-ND2 3.12Å; N435-N438 VanDerWaalsContact ND2-ND2 3.12Å; N435-N438 PolarHBondContact OD1-N 3.17Å; I436-N438 VanDerWaalsContact C-N 3.33Å; I436-N438 PolarHBondContact O-N 2.97Å; N438-T441 PolarHBondContact O-N 3.24Å; N438-I442 WeakPolarHBondContact O-CG1 3.47Å; N438-I442 PolarHBondContact O-N 3.16Å; N438-I442 VanDerWaalsContact O-N 3.08Å |
| 439 | F | 84.8 | Confident | 73.8 | Confident | 2.5 Ų | 2.5 | 55.6 Ų | 55.6 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -50.6 | -178.7 | -178.4 | -102.2 | 0 | 0 | 0 | 111.8 | L336 L354 I367 C370 L371 F374 N435 I436 D437 L443 | L336-F439 HydrophobicContact CD1-CE2 4.06Å; L354-F439 HydrophobicContact CD1-CD2 4.03Å; L354-F439 HydrophobicContact CD1-CE2 4.05Å; L354-F439 HydrophobicContact CD2-CE2 4.14Å; I367-F439 HydrophobicContact CG2-CE1 4.46Å; C370-F439 HydrophobicContact CB-CZ 3.93Å; L371-F439 HydrophobicContact CD2-CE1 4.48Å; F374-F439 HydrophobicContact CE2-CD1 4.03Å; F374-F439 HydrophobicContact CE2-CD2 4.08Å; F374-F439 HydrophobicContact CE2-CE1 4.11Å; F374-F439 HydrophobicContact CE2-CE2 4.16Å; F374-F439 HydrophobicContact CE2-CG 4.01Å; F374-F439 HydrophobicContact CE2-CZ 4.18Å; F374-F439 AromaticContact CZ-CD2 4Å; F374-F439 HydrophobicContact CZ-CD2 4Å; F374-F439 AromaticContact CZ-CE2 3.99Å; F374-F439 HydrophobicContact CZ-CE2 3.99Å; F374-F439 HydrophobicContact CZ-CG 4.38Å; F374-F439 HydrophobicContact CZ-CZ 4.36Å; N435-F439 PolarHBondContact O-N 3.35Å; I436-F439 WeakPolarHBondContact O-CB 3.41Å; I436-F439 PolarHBondContact O-N 3Å; I436-F439 VanDerWaalsContact O-N 3.11Å; D437-F439 VanDerWaalsContact C-N 3.35Å; F439-L443 HydrophobicContact CD1-CD1 3.88Å; F439-L443 HydrophobicContact CD1-CG 4.39Å; F439-L443 HydrophobicContact CE1-CD1 3.4Å; F439-L443 HydrophobicContact CE1-CG 4.2Å; F439-L443 HydrophobicContact CE2-CD1 4.31Å; F439-L443 HydrophobicContact CE2-CG 4.48Å; F439-L443 HydrophobicContact CG-CD1 4.28Å; F439-L443 HydrophobicContact CZ-CD1 3.85Å; F439-L443 HydrophobicContact CZ-CD2 4.48Å; F439-L443 HydrophobicContact CZ-CG 4.23Å; F439-L443 WeakPolarHBondContact O-CB 3.35Å; F439-L443 VanDerWaalsContact O-CG 3.28Å; F439-L443 WeakPolarHBondContact O-CG 3.36Å; F439-L443 PolarHBondContact O-N 2.88Å |
| 440 | F | 82.3 | Confident | 76.1 | Confident | 6.5 Ų | 6.5 | 51.2 Ų | 51.2 | 3% | 0.029 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.9 | -36 | 177.6 | -83.4 | -82 | 0 | 0 | 0 | 113 | L371 I436 I442 L443 Y444 L452 F478 N481 | L371-F440 HydrophobicContact CD1-CZ 4.26Å; L371-F440 HydrophobicContact CD2-CE2 3.68Å; L371-F440 HydrophobicContact CD2-CZ 3.78Å; I436-F440 HydrophobicContact CG2-CD2 3.47Å; I436-F440 VanDerWaalsContact CG2-CD2 3.42Å; I436-F440 HydrophobicContact CG2-CE2 3.7Å; I436-F440 PolarHBondContact O-N 3.12Å; F440-I442 VanDerWaalsContact C-N 3.32Å; F440-I442 PolarHBondContact O-N 3.14Å; F440-L443 HydrophobicContact CD1-CD1 4.19Å; F440-L443 HydrophobicContact CD1-CD2 4.26Å; F440-L443 HydrophobicContact CE1-CD1 4.45Å; F440-L443 PolarHBondContact O-N 2.95Å; F440-Y444 HydrophobicContact CB-CD2 4.28Å; F440-Y444 HydrophobicContact CB-CE2 4.13Å; F440-Y444 HydrophobicContact CD1-CD2 4.42Å; F440-Y444 AromaticContact CD1-CE2 3.81Å; F440-Y444 HydrophobicContact CD1-CE2 3.81Å; F440-Y444 AromaticContact CD1-CZ 3.93Å; F440-Y444 HydrophobicContact CG-CE2 4.4Å; F440-Y444 WeakPolarHBondContact O-CB 3.34Å; F440-Y444 WeakPolarHBondContact O-CD2 3.44Å; F440-Y444 PolarHBondContact O-N 3.36Å; F440-L452 HydrophobicContact CE1-CD1 4.2Å; F440-L452 HydrophobicContact CZ-CD1 4.46Å; F440-F478 AromaticContact CE2-CD1 3.71Å; F440-F478 HydrophobicContact CE2-CD1 3.71Å; F440-F478 HydrophobicContact CE2-CE1 4.15Å; F440-F478 HydrophobicContact CZ-CD1 4.35Å; F440-N481 WeakPolarHBondContact CB-ND2 3.28Å; F440-N481 WeakPolarHBondContact CG-ND2 3.15Å |
| 441 | T | 82.3 | Confident | 77.9 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 176.8 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | L347 D437 N438 E445 | L347-T441 HydrophobicContact CD1-CG2 3.94Å; D437-T441 VanDerWaalsContact O-CB 3.23Å; D437-T441 WeakPolarHBondContact O-CB 3.29Å; D437-T441 PolarHBondContact O-N 3.12Å; D437-T441 PolarHBondContact O-OG1 3.36Å; N438-T441 PolarHBondContact O-N 3.24Å; T441-E445 WeakPolarHBondContact O-CB 3.35Å; T441-E445 PolarHBondContact O-N 3.04Å; T441-E445 VanDerWaalsContact O-N 3.09Å |
| 442 | I | 82.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 176.6 | -66 | -53 | 0 | 0 | 0 | 112 | L347 T350 R351 L354 N438 F440 Y444 E445 L446 | L347-I442 HydrophobicContact CD2-CD1 3.66Å; L347-I442 HydrophobicContact CD2-CG1 4.48Å; L347-I442 HydrophobicContact CG-CD1 3.81Å; L347-I442 HydrophobicContact CG-CG1 4.12Å; T350-I442 VanDerWaalsContact OG1-CG1 3.3Å; T350-I442 WeakPolarHBondContact OG1-CG1 3.46Å; R351-I442 HydrophobicContact CB-CD1 3.99Å; R351-I442 HydrophobicContact CB-CG1 4.39Å; R351-I442 HydrophobicContact CG-CD1 4.47Å; L354-I442 HydrophobicContact CB-CG2 4.11Å; L354-I442 HydrophobicContact CD1-CB 4.36Å; L354-I442 HydrophobicContact CD1-CG2 3.77Å; N438-I442 WeakPolarHBondContact O-CG1 3.47Å; N438-I442 PolarHBondContact O-N 3.16Å; N438-I442 VanDerWaalsContact O-N 3.08Å; F440-I442 VanDerWaalsContact C-N 3.32Å; F440-I442 PolarHBondContact O-N 3.14Å; I442-Y444 PolarHBondContact O-N 3.37Å; I442-E445 WeakPolarHBondContact CD1-OE2 3.41Å; I442-E445 WeakPolarHBondContact O-CB 3.39Å; I442-E445 PolarHBondContact O-N 3.33Å; I442-E445 VanDerWaalsContact O-N 3.14Å; I442-L446 HydrophobicContact CG2-CD1 3.76Å; I442-L446 HydrophobicContact CG2-CG 4.18Å; I442-L446 WeakPolarHBondContact O-CB 3.23Å; I442-L446 WeakPolarHBondContact O-CG 3.37Å; I442-L446 PolarHBondContact O-N 3.39Å |
| 443 | L | 83.1 | Confident | 80.6 | Confident | 2.5 Ų | 2.5 | 47.6 Ų | 47.6 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.4 | -134.6 | 168.2 | 0 | 0 | 0 | 112.4 | I367 F439 F440 E445 L446 N447 L450 | I367-L443 HydrophobicContact CB-CD1 4.39Å; I367-L443 HydrophobicContact CD1-CD1 3.81Å; I367-L443 HydrophobicContact CD1-CD2 4.47Å; I367-L443 HydrophobicContact CD1-CG 4.19Å; I367-L443 HydrophobicContact CG1-CD1 3.78Å; I367-L443 HydrophobicContact CG2-CD1 3.69Å; F439-L443 HydrophobicContact CD1-CD1 3.88Å; F439-L443 HydrophobicContact CD1-CG 4.39Å; F439-L443 HydrophobicContact CE1-CD1 3.4Å; F439-L443 HydrophobicContact CE1-CG 4.2Å; F439-L443 HydrophobicContact CE2-CD1 4.31Å; F439-L443 HydrophobicContact CE2-CG 4.48Å; F439-L443 HydrophobicContact CG-CD1 4.28Å; F439-L443 HydrophobicContact CZ-CD1 3.85Å; F439-L443 HydrophobicContact CZ-CD2 4.48Å; F439-L443 HydrophobicContact CZ-CG 4.23Å; F439-L443 WeakPolarHBondContact O-CB 3.35Å; F439-L443 VanDerWaalsContact O-CG 3.28Å; F439-L443 WeakPolarHBondContact O-CG 3.36Å; F439-L443 PolarHBondContact O-N 2.88Å; F440-L443 HydrophobicContact CD1-CD1 4.19Å; F440-L443 HydrophobicContact CD1-CD2 4.26Å; F440-L443 HydrophobicContact CE1-CD1 4.45Å; F440-L443 PolarHBondContact O-N 2.95Å; L443-E445 VanDerWaalsContact C-N 3.33Å; L443-L446 PolarHBondContact O-N 3.41Å; L443-N447 PolarHBondContact O-N 3.1Å; L443-L450 HydrophobicContact CB-CD1 4.44Å; L443-L450 HydrophobicContact CD2-CD1 3.52Å; L443-L450 HydrophobicContact CG-CD1 3.91Å |
| 444 | Y | 83 | Confident | 81.1 | Confident | 76.5 Ų | 76.5 | 47.8 Ų | 47.8 | 30% | 0.3 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.2 | -27.2 | 174.8 | -70.7 | -55.1 | 0 | 0 | 0 | 112.9 | F440 I442 P448 L450 | F440-Y444 HydrophobicContact CB-CD2 4.28Å; F440-Y444 HydrophobicContact CB-CE2 4.13Å; F440-Y444 HydrophobicContact CD1-CD2 4.42Å; F440-Y444 AromaticContact CD1-CE2 3.81Å; F440-Y444 HydrophobicContact CD1-CE2 3.81Å; F440-Y444 AromaticContact CD1-CZ 3.93Å; F440-Y444 HydrophobicContact CG-CE2 4.4Å; F440-Y444 WeakPolarHBondContact O-CB 3.34Å; F440-Y444 WeakPolarHBondContact O-CD2 3.44Å; F440-Y444 PolarHBondContact O-N 3.36Å; I442-Y444 PolarHBondContact O-N 3.37Å; Y444-P448 WeakPolarHBondContact O-CA 3.25Å; Y444-L450 HydrophobicContact CD1-CB 4.48Å; Y444-L450 HydrophobicContact CE1-CB 4.32Å; Y444-L450 WeakPolarHBondContact CE1-O 3.28Å |
| 445 | E | 83.2 | Confident | 81.1 | Confident | 110 Ų | 110 | 47.5 Ų | 47.5 | 51% | 0.514 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 171.5 | -167.9 | -174.8 | 156.8 | 0 | 0 | 111.6 | R351 T441 I442 L443 | R351-E445 IonicContact CZ-OE1 3.69Å; R351-E445 IonicContact CZ-OE2 3.78Å; R351-E445 IonicContact NH1-OE1 3.91Å; R351-E445 PolarHBondContact NH1-OE1 2.92Å; R351-E445 IonicContact NH1-OE2 2.73Å; R351-E445 PolarHBondContact NH1-OE2 2.97Å; R351-E445 IonicContact NH2-OE1 2.65Å; R351-E445 PolarHBondContact NH2-OE1 2.73Å; R351-E445 IonicContact NH2-OE2 2.84Å; R351-E445 PolarHBondContact NH2-OE2 2.94Å; T441-E445 WeakPolarHBondContact O-CB 3.35Å; T441-E445 PolarHBondContact O-N 3.04Å; T441-E445 VanDerWaalsContact O-N 3.09Å; I442-E445 WeakPolarHBondContact CD1-OE2 3.41Å; I442-E445 WeakPolarHBondContact O-CB 3.39Å; I442-E445 PolarHBondContact O-N 3.33Å; I442-E445 VanDerWaalsContact O-N 3.14Å; L443-E445 VanDerWaalsContact C-N 3.33Å |
| 446 | L | 82.7 | Confident | 81.1 | Confident | 50.5 Ų | 50.5 | 45 Ų | 45 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79 | -38.9 | -179.4 | -67.7 | 174.4 | 0 | 0 | 0 | 113.1 | L354 L362 I442 L443 | L354-L446 HydrophobicContact CB-CD1 3.51Å; L362-L446 HydrophobicContact CD1-CB 4.03Å; L362-L446 HydrophobicContact CD1-CD1 4.13Å; I442-L446 HydrophobicContact CG2-CD1 3.76Å; I442-L446 HydrophobicContact CG2-CG 4.18Å; I442-L446 WeakPolarHBondContact O-CB 3.23Å; I442-L446 WeakPolarHBondContact O-CG 3.37Å; I442-L446 PolarHBondContact O-N 3.39Å; L443-L446 PolarHBondContact O-N 3.41Å |
| 447 | N | 81.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 49 Ų | 49 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | trans | -135.8 | 84.9 | -179.8 | -170.6 | -5.2 | 0 | 0 | 0 | 111.7 | V359 L362 L443 N449 L450 | V359-N447 HydrophobicContact CG1-CB 4.07Å; L362-N447 PolarHBondContact O-ND2 2.84Å; L443-N447 PolarHBondContact O-N 3.1Å; N447-N449 PolarHBondContact O-N 2.98Å; N447-N449 VanDerWaalsContact O-N 3.07Å; N447-N449 PolarHBondContact OD1-N 2.87Å; N447-L450 HydrophobicContact CB-CD1 3.72Å; N447-L450 HydrophobicContact CB-CG 3.98Å; N447-L450 WeakPolarHBondContact O-CG 3Å; N447-L450 PolarHBondContact O-N 3.27Å | ||
| 448 | P | 77.9 | Confident | 81.2 | Confident | 99.5 Ų | 99.5 | 49.7 Ų | 49.7 | 65% | 0.646 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -5.6 | -178.7 | 28.5 | -36.1 | 0 | 0 | 0 | 114.2 | Y444 L450 | Y444-P448 WeakPolarHBondContact O-CA 3.25Å; P448-L450 VanDerWaalsContact C-N 3.28Å |
| 449 | N | 78.3 | Confident | 81.2 | Confident | 138.5 Ų | 138.5 | 48.5 Ų | 48.5 | 74% | 0.741 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6 | 177.5 | -62.8 | -45.9 | 0 | 0 | 0 | 113 | N447 Q451 | N447-N449 PolarHBondContact O-N 2.98Å; N447-N449 VanDerWaalsContact O-N 3.07Å; N447-N449 PolarHBondContact OD1-N 2.87Å; N449-Q451 PolarHBondContact O-N 3.3Å |
| 450 | L | 77.7 | Confident | 81.2 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | trans | -68.9 | 119.8 | -178 | -73.1 | 168.8 | 0 | 0 | 0 | 111.7 | P364 I367 L443 Y444 N447 P448 I455 | P364-L450 HydrophobicContact CG-CD2 3.82Å; I367-L450 HydrophobicContact CD1-CD1 3.41Å; I367-L450 VanDerWaalsContact CD1-CD1 3.41Å; I367-L450 HydrophobicContact CD1-CD2 3.69Å; I367-L450 HydrophobicContact CD1-CG 4.2Å; L443-L450 HydrophobicContact CB-CD1 4.44Å; L443-L450 HydrophobicContact CD2-CD1 3.52Å; L443-L450 HydrophobicContact CG-CD1 3.91Å; Y444-L450 HydrophobicContact CD1-CB 4.48Å; Y444-L450 HydrophobicContact CE1-CB 4.32Å; Y444-L450 WeakPolarHBondContact CE1-O 3.28Å; N447-L450 HydrophobicContact CB-CD1 3.72Å; N447-L450 HydrophobicContact CB-CG 3.98Å; N447-L450 WeakPolarHBondContact O-CG 3Å; N447-L450 PolarHBondContact O-N 3.27Å; P448-L450 VanDerWaalsContact C-N 3.28Å; L450-I455 HydrophobicContact CB-CD1 4.35Å; L450-I455 HydrophobicContact CD2-CD1 4.47Å | ||
| 451 | Q | 76.3 | Confident | 81.2 | Confident | 113 Ų | 113 | 50 Ų | 50 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | trans | -96.3 | 123.1 | 172 | -64.2 | -177.7 | -6.5 | 0 | 0 | 109.7 | N449 T453 I454 I455 | N449-Q451 PolarHBondContact O-N 3.3Å; Q451-T453 PolarHBondContact O-N 3.08Å; Q451-I454 HydrophobicContact CB-CB 4.46Å; Q451-I454 HydrophobicContact CB-CD1 3.98Å; Q451-I454 HydrophobicContact CB-CG1 4Å; Q451-I454 HydrophobicContact CG-CD1 4.41Å; Q451-I454 PolarHBondContact O-N 3.02Å; Q451-I455 PolarHBondContact O-N 2.89Å | ||
| 452 | L | 78.1 | Confident | 81.2 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -37 | 178.3 | -176 | 62.5 | 0 | 0 | 0 | 111.9 | F440 I454 I455 L456 N482 I489 | F440-L452 HydrophobicContact CE1-CD1 4.2Å; F440-L452 HydrophobicContact CZ-CD1 4.46Å; L452-I454 VanDerWaalsContact C-N 3.28Å; L452-I454 PolarHBondContact O-N 2.93Å; L452-I455 PolarHBondContact O-N 2.91Å; L452-I455 VanDerWaalsContact O-N 3.15Å; L452-L456 HydrophobicContact CD1-CG 4.33Å; L452-L456 HydrophobicContact CG-CD1 4.02Å; L452-L456 HydrophobicContact CG-CG 4.21Å; L452-L456 WeakPolarHBondContact O-CB 3.43Å; L452-L456 VanDerWaalsContact O-CG 3.31Å; L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 3.14Å; L452-N482 WeakPolarHBondContact CD2-ND2 3.29Å; L452-I489 HydrophobicContact CD2-CD1 4.36Å |
| 453 | T | 78.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 176.7 | -41.4 | 0 | 0 | 0 | 0 | 112.9 | Q451 N457 | Q451-T453 PolarHBondContact O-N 3.08Å; T453-N457 VanDerWaalsContact O-CG 3.23Å; T453-N457 PolarHBondContact O-N 3.06Å; T453-N457 VanDerWaalsContact O-N 3.12Å; T453-N457 PolarHBondContact O-ND2 3.1Å; T453-N457 PolarHBondContact O-OD1 2.89Å |
| 454 | I | 81.5 | Confident | 81.3 | Confident | 69.5 Ų | 69.5 | 53.3 Ų | 53.3 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.4 | -44.3 | 177 | -58.1 | 175.7 | 0 | 0 | 0 | 109.6 | P364 Q451 L452 L456 N457 E458 | P364-I454 HydrophobicContact CB-CG2 3.83Å; P364-I454 HydrophobicContact CG-CG2 3.85Å; Q451-I454 HydrophobicContact CB-CB 4.46Å; Q451-I454 HydrophobicContact CB-CD1 3.98Å; Q451-I454 HydrophobicContact CB-CG1 4Å; Q451-I454 HydrophobicContact CG-CD1 4.41Å; Q451-I454 PolarHBondContact O-N 3.02Å; L452-I454 VanDerWaalsContact C-N 3.28Å; L452-I454 PolarHBondContact O-N 2.93Å; I454-L456 VanDerWaalsContact C-N 3.3Å; I454-L456 PolarHBondContact O-N 3Å; I454-N457 PolarHBondContact O-N 3.04Å; I454-E458 WeakPolarHBondContact O-CG 3.25Å; I454-E458 PolarHBondContact O-N 3.44Å |
| 455 | I | 81.4 | Confident | 81.3 | Confident | 0.5 Ų | 0.5 | 53.2 Ų | 53.2 | 0% | 0.003 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 177.3 | -60.6 | 166.8 | 0 | 0 | 0 | 110.8 | P364 I367 L371 L450 Q451 L452 E458 L459 | P364-I455 HydrophobicContact CB-CG1 4.02Å; I367-I455 HydrophobicContact CB-CG2 4.37Å; I367-I455 HydrophobicContact CD1-CD1 4.31Å; I367-I455 HydrophobicContact CG2-CD1 4.13Å; I367-I455 HydrophobicContact CG2-CG1 4.4Å; I367-I455 HydrophobicContact CG2-CG2 3.75Å; L371-I455 HydrophobicContact CD1-CG2 3.59Å; L450-I455 HydrophobicContact CB-CD1 4.35Å; L450-I455 HydrophobicContact CD2-CD1 4.47Å; Q451-I455 PolarHBondContact O-N 2.89Å; L452-I455 PolarHBondContact O-N 2.91Å; L452-I455 VanDerWaalsContact O-N 3.15Å; I455-E458 CarbonylContact O-C 3.34Å; I455-E458 PolarHBondContact O-N 3.46Å; I455-L459 PolarHBondContact O-N 3.3Å; I455-L459 VanDerWaalsContact O-N 3.16Å |
| 456 | L | 82 | Confident | 81.4 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 177.1 | -71.1 | 173 | 0 | 0 | 0 | 111.8 | L452 I454 E458 L459 V479 I489 Y493 | L452-L456 HydrophobicContact CD1-CG 4.33Å; L452-L456 HydrophobicContact CG-CD1 4.02Å; L452-L456 HydrophobicContact CG-CG 4.21Å; L452-L456 WeakPolarHBondContact O-CB 3.43Å; L452-L456 VanDerWaalsContact O-CG 3.31Å; L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 3.14Å; I454-L456 VanDerWaalsContact C-N 3.3Å; I454-L456 PolarHBondContact O-N 3Å; L456-E458 VanDerWaalsContact C-N 3.27Å; L456-E458 PolarHBondContact O-N 3.35Å; L456-L459 HydrophobicContact CD2-CD1 3.68Å; L456-L459 VanDerWaalsContact O-CB 3.27Å; L456-L459 WeakPolarHBondContact O-CB 3.38Å; L456-L459 PolarHBondContact O-N 3.37Å; L456-V479 HydrophobicContact CD2-CG2 4.25Å; L456-I489 HydrophobicContact CD1-CD1 3.41Å; L456-I489 HydrophobicContact CD1-CG1 3.76Å; L456-I489 HydrophobicContact CD1-CG2 4.32Å; L456-Y493 HydrophobicContact CB-CD2 4.28Å; L456-Y493 HydrophobicContact CB-CE1 4.3Å; L456-Y493 HydrophobicContact CB-CE2 3.78Å; L456-Y493 HydrophobicContact CD2-CE1 4.31Å; L456-Y493 WeakPolarHBondContact O-CE2 3.37Å; L456-Y493 PolarHBondContact O-OH 3.18Å |
| 457 | N | 81.7 | Confident | 81.3 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -34.9 | 175.4 | -69.6 | -11.3 | 0 | 0 | 0 | 112.1 | T453 I454 L459 D460 | T453-N457 VanDerWaalsContact O-CG 3.23Å; T453-N457 PolarHBondContact O-N 3.06Å; T453-N457 VanDerWaalsContact O-N 3.12Å; T453-N457 PolarHBondContact O-ND2 3.1Å; T453-N457 PolarHBondContact O-OD1 2.89Å; I454-N457 PolarHBondContact O-N 3.04Å; N457-L459 VanDerWaalsContact C-N 3.29Å; N457-L459 PolarHBondContact O-N 3.02Å; N457-D460 WeakPolarHBondContact O-CB 3.24Å; N457-D460 PolarHBondContact O-N 3.27Å |
| 458 | E | 82.5 | Confident | 81.3 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -6 | 175.3 | -62.8 | -64.8 | 164.1 | 0 | 0 | 113.8 | P364 I365 A368 I454 I455 L456 D460 | P364-E458 HydrophobicContact CB-CG 4.19Å; I365-E458 HydrophobicContact CG1-CG 4.04Å; A368-E458 HydrophobicContact CB-CB 3.88Å; A368-E458 WeakPolarHBondContact CB-O 3.4Å; I454-E458 WeakPolarHBondContact O-CG 3.25Å; I454-E458 PolarHBondContact O-N 3.44Å; I455-E458 CarbonylContact O-C 3.34Å; I455-E458 PolarHBondContact O-N 3.46Å; L456-E458 VanDerWaalsContact C-N 3.27Å; L456-E458 PolarHBondContact O-N 3.35Å; E458-D460 PolarHBondContact O-N 3.36Å |
| 459 | L | 83.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.7 | 168.9 | -68.7 | 174.8 | 0 | 0 | 0 | 112.7 | A368 L371 I455 L456 N457 C461 F464 F475 | A368-L459 HydrophobicContact CB-CD2 3.93Å; A368-L459 HydrophobicContact CB-CG 4.4Å; L371-L459 HydrophobicContact CB-CD2 3.84Å; L371-L459 HydrophobicContact CD1-CD2 4.04Å; I455-L459 PolarHBondContact O-N 3.3Å; I455-L459 VanDerWaalsContact O-N 3.16Å; L456-L459 HydrophobicContact CD2-CD1 3.68Å; L456-L459 VanDerWaalsContact O-CB 3.27Å; L456-L459 WeakPolarHBondContact O-CB 3.38Å; L456-L459 PolarHBondContact O-N 3.37Å; N457-L459 VanDerWaalsContact C-N 3.29Å; N457-L459 PolarHBondContact O-N 3.02Å; L459-C461 PolarHBondContact O-N 3.23Å; L459-F464 HydrophobicContact CB-CD2 4.04Å; L459-F464 HydrophobicContact CB-CE2 4.38Å; L459-F464 HydrophobicContact CD1-CD2 4.47Å; L459-F464 HydrophobicContact CD1-CE2 4.23Å; L459-F464 HydrophobicContact CD2-CD2 4.27Å; L459-F464 HydrophobicContact CG-CD2 4.46Å; L459-F464 VanDerWaalsContact O-CB 3.22Å; L459-F464 WeakPolarHBondContact O-CB 3.32Å; L459-F475 HydrophobicContact CD1-CE2 4.08Å |
| 460 | D | 85.3 | Confident | 81.9 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | trans | -69.3 | 71.9 | 170.5 | -175.7 | 2.7 | 0 | 0 | 0 | 110.6 | N457 E458 W498 I499 H500 | N457-D460 WeakPolarHBondContact O-CB 3.24Å; N457-D460 PolarHBondContact O-N 3.27Å; E458-D460 PolarHBondContact O-N 3.36Å; D460-W498 HydrophobicContact CB-CD2 4.2Å; D460-W498 HydrophobicContact CB-CE3 3.98Å; D460-W498 HydrophobicContact CB-CG 4.45Å; D460-W498 VanDerWaalsContact OD2-CA 3.28Å; D460-W498 WeakPolarHBondContact OD2-CA 3.47Å; D460-W498 WeakPolarHBondContact OD2-CB 3.35Å; D460-I499 PolarHBondContact OD1-N 3.42Å; D460-I499 WeakPolarHBondContact OD2-CB 3.39Å; D460-I499 PolarHBondContact OD2-N 3.11Å; D460-H500 VanDerWaalsContact C-ND1 3.29Å; D460-H500 PolarHBondContact O-CE1 2.96Å; D460-H500 VanDerWaalsContact O-CE1 3.27Å; D460-H500 PolarHBondContact O-ND1 3.24Å; D460-H500 WeakPolarHBondContact OD1-CB 3.27Å; D460-H500 IonicContact OD1-CG 3.09Å; D460-H500 PolarHBondContact OD1-N 3.32Å; D460-H500 IonicContact OD1-ND1 3.31Å; D460-H500 PolarHBondContact OD1-ND1 3.41Å | ||
| 461 | C | 82.9 | Confident | 82.2 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.081 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -135 | 161.4 | -178.9 | 79.4 | 0 | 0 | 0 | 0 | 112.1 | K369 C372 L459 E463 F464 H500 | K369-C461 PolarHBondContact NZ-SG 2.97Å; C372-C461 VanDerWaalsContact SG-SG 3.67Å; L459-C461 PolarHBondContact O-N 3.23Å; C461-E463 WeakPolarHBondContact CB-OE2 3.32Å; C461-E463 PolarHBondContact O-N 3.43Å; C461-E463 VanDerWaalsContact O-N 3.07Å; C461-E463 PolarHBondContact SG-OE2 2.96Å; C461-F464 PolarHBondContact O-N 2.92Å; C461-F464 VanDerWaalsContact O-N 3.12Å; C461-H500 VanDerWaalsContact C-CG 3.45Å; C461-H500 VanDerWaalsContact CA-ND1 3.31Å; C461-H500 WeakPolarHBondContact CA-ND1 3.45Å; C461-H500 PolarHBondContact N-ND1 2.99Å |
| 462 | S | 80.5 | Confident | 82.7 | Confident | 84.5 Ų | 84.5 | 42.6 Ų | 42.6 | 59% | 0.591 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.3 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 116 | H500 | S462-H500 PolarHBondContact N-CD2 3.07Å; S462-H500 VanDerWaalsContact N-CD2 3.3Å; S462-H500 PolarHBondContact N-NE2 2.78Å |
| 463 | E | 80.4 | Confident | 83 | Confident | 56.5 Ų | 56.5 | 46 Ų | 46 | 26% | 0.264 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -9.4 | -178.2 | -58.6 | 100.7 | -169.8 | 0 | 0 | 113.6 | Y330 K369 C372 C461 M465 | Y330-E463 WeakPolarHBondContact CE1-OE2 3.26Å; K369-E463 WeakPolarHBondContact CD-OE2 3.32Å; K369-E463 IonicContact NZ-OE1 3.39Å; K369-E463 PolarHBondContact NZ-OE1 3.45Å; K369-E463 IonicContact NZ-OE2 3.53Å; K369-E463 PolarHBondContact NZ-OE2 2.93Å; C372-E463 HydrophobicContact CB-CB 4.3Å; C461-E463 WeakPolarHBondContact CB-OE2 3.32Å; C461-E463 PolarHBondContact O-N 3.43Å; C461-E463 VanDerWaalsContact O-N 3.07Å; C461-E463 PolarHBondContact SG-OE2 2.96Å; E463-M465 PolarHBondContact O-N 3.26Å |
| 464 | F | 87.3 | Confident | 83.2 | Confident | 1.5 Ų | 1.5 | 43.6 Ų | 43.6 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | trans | -71 | 111.7 | 179 | -179.6 | -87.5 | 0 | 0 | 0 | 110.3 | L375 L459 C461 I466 F475 W498 G503 L507 | L375-F464 HydrophobicContact CD1-CD2 3.85Å; L375-F464 HydrophobicContact CD1-CE2 3.49Å; L375-F464 VanDerWaalsContact CD1-CE2 3.49Å; L375-F464 HydrophobicContact CD1-CZ 4.33Å; L459-F464 HydrophobicContact CB-CD2 4.04Å; L459-F464 HydrophobicContact CB-CE2 4.38Å; L459-F464 HydrophobicContact CD1-CD2 4.47Å; L459-F464 HydrophobicContact CD1-CE2 4.23Å; L459-F464 HydrophobicContact CD2-CD2 4.27Å; L459-F464 HydrophobicContact CG-CD2 4.46Å; L459-F464 VanDerWaalsContact O-CB 3.22Å; L459-F464 WeakPolarHBondContact O-CB 3.32Å; C461-F464 PolarHBondContact O-N 2.92Å; C461-F464 VanDerWaalsContact O-N 3.12Å; F464-I466 HydrophobicContact CE1-CD1 4.23Å; F464-I466 HydrophobicContact CE1-CG1 4.48Å; F464-I466 HydrophobicContact CZ-CD1 3.91Å; F464-I466 HydrophobicContact CZ-CG1 4.24Å; F464-F475 HydrophobicContact CE2-CD2 4.08Å; F464-F475 AromaticContact CE2-CE2 3.9Å; F464-F475 HydrophobicContact CE2-CE2 3.9Å; F464-F475 HydrophobicContact CZ-CD2 4.18Å; F464-F475 AromaticContact CZ-CE2 3.91Å; F464-F475 HydrophobicContact CZ-CE2 3.91Å; F464-F475 HydrophobicContact CZ-CZ 4.44Å; F464-W498 AromaticContact CD1-CH2 3.9Å; F464-W498 HydrophobicContact CD1-CH2 4.01Å; F464-W498 AromaticContact CD1-CZ3 3.59Å; F464-W498 HydrophobicContact CD1-CZ3 3.59Å; F464-W498 AromaticContact CE1-CH2 3.76Å; F464-W498 HydrophobicContact CE1-CH2 3.76Å; F464-W498 AromaticContact CE1-CZ3 3.81Å; F464-W498 HydrophobicContact CE1-CZ3 3.81Å; F464-W498 HydrophobicContact CG-CH2 4.41Å; F464-W498 HydrophobicContact CG-CZ3 4.12Å; F464-W498 HydrophobicContact CZ-CH2 4.07Å; F464-W498 HydrophobicContact CZ-CZ3 4.37Å; F464-G503 VanDerWaalsContact O-CA 3.27Å; F464-G503 WeakPolarHBondContact O-CA 3.29Å; F464-L507 HydrophobicContact CE1-CB 4.24Å | ||
| 465 | M | 83.9 | Confident | 83.4 | Confident | 74.5 Ų | 74.5 | 40.3 Ų | 40.3 | 37% | 0.367 | 21% | 0.206 | S | C | . | . | trans | -147 | 134.1 | 176.6 | -73.5 | -62.2 | -67.2 | 0 | 0 | 110 | E463 T467 I502 | E463-M465 PolarHBondContact O-N 3.26Å; M465-T467 HydrophobicContact CB-CG2 4.44Å; M465-I502 HydrophobicContact CE-CG2 4.13Å; M465-I502 HydrophobicContact SD-CG2 3.75Å | ||
| 466 | I | 84.5 | Confident | 83.5 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -96 | 118 | 170.6 | -69.8 | 160.9 | 0 | 0 | 0 | 107.9 | F464 S471 F472 F475 S506 L507 Y510 | F464-I466 HydrophobicContact CE1-CD1 4.23Å; F464-I466 HydrophobicContact CE1-CG1 4.48Å; F464-I466 HydrophobicContact CZ-CD1 3.91Å; F464-I466 HydrophobicContact CZ-CG1 4.24Å; I466-S471 WeakPolarHBondContact CG2-OG 3.39Å; I466-F472 HydrophobicContact CD1-CD2 3.98Å; I466-F472 HydrophobicContact CD1-CE2 4.45Å; I466-F472 HydrophobicContact CG2-CB 3.94Å; I466-F472 HydrophobicContact CG2-CD2 4.34Å; I466-F472 HydrophobicContact CG2-CG 4.4Å; I466-F475 HydrophobicContact CD1-CG 4.45Å; I466-S506 PolarHBondContact N-OG 3.22Å; I466-L507 HydrophobicContact CD1-CB 4.02Å; I466-L507 HydrophobicContact CD1-CD1 3.48Å; I466-L507 HydrophobicContact CD1-CG 4.36Å; I466-Y510 HydrophobicContact CB-CD2 4.33Å; I466-Y510 HydrophobicContact CB-CG 4.45Å; I466-Y510 HydrophobicContact CG2-CD1 3.58Å; I466-Y510 HydrophobicContact CG2-CD2 3.73Å; I466-Y510 HydrophobicContact CG2-CE1 3.95Å; I466-Y510 HydrophobicContact CG2-CE2 4.06Å; I466-Y510 HydrophobicContact CG2-CG 3.46Å; I466-Y510 VanDerWaalsContact CG2-CG 3.46Å; I466-Y510 VanDerWaalsContact O-CE2 3.3Å; I466-Y510 WeakPolarHBondContact O-CE2 3.46Å | ||
| 467 | T | 82 | Confident | 83.4 | Confident | 67.5 Ų | 67.5 | 46.7 Ų | 46.7 | 41% | 0.414 | 23% | 0.234 | S | C | . | . | trans | -108.8 | -19.9 | -171.7 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | D379 M465 S471 Y510 | D379-T467 PolarHBondContact OD2-OG1 3.19Å; M465-T467 HydrophobicContact CB-CG2 4.44Å; T467-S471 PolarHBondContact N-OG 3.16Å; T467-S471 VanDerWaalsContact N-OG 3.13Å; T467-Y510 VanDerWaalsContact C-OH 3.24Å; T467-Y510 PolarHBondContact O-OH 2.97Å | ||
| 468 | S | 82 | Confident | 83.2 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -151.1 | 162.6 | -173.3 | 74.5 | 0 | 0 | 0 | 0 | 112.7 | D379 Q470 S471 F472 | D379-S468 WeakPolarHBondContact OD1-CB 3.46Å; D379-S468 PolarHBondContact OD1-OG 3.36Å; S468-Q470 PolarHBondContact O-N 3.04Å; S468-Q470 PolarHBondContact OG-N 3.03Å; S468-S471 PolarHBondContact N-OG 3.13Å; S468-S471 PolarHBondContact O-N 3.09Å; S468-S471 VanDerWaalsContact O-N 3.13Å; S468-S471 PolarHBondContact O-OG 3.21Å; S468-S471 PolarHBondContact OG-N 3.26Å; S468-S471 PolarHBondContact OG-OG 3.44Å; S468-F472 PolarHBondContact O-N 3.04Å |
| 469 | R | 85.4 | Confident | 82.9 | Confident | 107.5 Ų | 107.5 | 39 Ų | 39 | 41% | 0.406 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.7 | -33.7 | 172.9 | -171.3 | 177.9 | 177.1 | 137.7 | -1.3 | 111.6 | F472 H473 Y514 D516 I517 | R469-F472 PolarHBondContact O-N 3.14Å; R469-H473 PolarHBondContact O-N 3.28Å; R469-Y514 HydrophobicContact CB-CD2 4.39Å; R469-Y514 HydrophobicContact CB-CE1 4.41Å; R469-Y514 HydrophobicContact CB-CE2 3.97Å; R469-Y514 HydrophobicContact CG-CD1 4.13Å; R469-Y514 HydrophobicContact CG-CD2 4.25Å; R469-Y514 HydrophobicContact CG-CE1 4.13Å; R469-Y514 HydrophobicContact CG-CE2 4.23Å; R469-Y514 HydrophobicContact CG-CG 4.18Å; R469-Y514 VanDerWaalsContact NH1-CD1 3.27Å; R469-D516 IonicContact CZ-OD1 3.8Å; R469-D516 IonicContact CZ-OD2 2.78Å; R469-D516 IonicContact NE-OD2 3.57Å; R469-D516 IonicContact NH1-OD1 3.7Å; R469-D516 IonicContact NH1-OD2 3.13Å; R469-D516 IonicContact NH2-OD1 3.5Å; R469-D516 PolarHBondContact NH2-OD1 3.08Å; R469-D516 IonicContact NH2-OD2 3.19Å; R469-D516 PolarHBondContact NH2-OD2 3.29Å; R469-I517 HydrophobicContact CG-CD1 3.47Å; R469-I517 VanDerWaalsContact CG-CD1 3.43Å |
| 470 | Q | 82.9 | Confident | 82.5 | Confident | 123.5 Ų | 123.5 | 43.8 Ų | 43.8 | 58% | 0.577 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.6 | -44.9 | 175.2 | -77.2 | 73.9 | 1.1 | 0 | 0 | 111.5 | S468 F472 H473 L474 | S468-Q470 PolarHBondContact O-N 3.04Å; S468-Q470 PolarHBondContact OG-N 3.03Å; Q470-F472 PolarHBondContact O-N 3.3Å; Q470-H473 PolarHBondContact O-N 3.08Å; Q470-L474 VanDerWaalsContact O-CB 3.31Å; Q470-L474 WeakPolarHBondContact O-CB 3.33Å; Q470-L474 PolarHBondContact O-N 3.2Å |
| 471 | S | 84.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -36.9 | 173.2 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | L375 T378 I466 T467 S468 L474 F475 | L375-S471 WeakPolarHBondContact CD2-O 3.46Å; T378-S471 WeakPolarHBondContact OG1-CB 3.22Å; T378-S471 PolarHBondContact OG1-N 3.47Å; I466-S471 WeakPolarHBondContact CG2-OG 3.39Å; T467-S471 PolarHBondContact N-OG 3.16Å; T467-S471 VanDerWaalsContact N-OG 3.13Å; S468-S471 PolarHBondContact N-OG 3.13Å; S468-S471 PolarHBondContact O-N 3.09Å; S468-S471 VanDerWaalsContact O-N 3.13Å; S468-S471 PolarHBondContact O-OG 3.21Å; S468-S471 PolarHBondContact OG-N 3.26Å; S468-S471 PolarHBondContact OG-OG 3.44Å; S471-L474 WeakPolarHBondContact O-CB 3.34Å; S471-L474 PolarHBondContact O-N 2.94Å; S471-F475 WeakPolarHBondContact O-CB 3.43Å; S471-F475 PolarHBondContact O-N 3.09Å |
| 472 | F | 86 | Confident | 80 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.1 | -36.3 | 177.5 | -166.9 | -132.7 | 0 | 0 | 0 | 113.1 | I466 S468 R469 Q470 L474 F475 K476 L507 Y510 C511 Y514 I517 I518 | I466-F472 HydrophobicContact CD1-CD2 3.98Å; I466-F472 HydrophobicContact CD1-CE2 4.45Å; I466-F472 HydrophobicContact CG2-CB 3.94Å; I466-F472 HydrophobicContact CG2-CD2 4.34Å; I466-F472 HydrophobicContact CG2-CG 4.4Å; S468-F472 PolarHBondContact O-N 3.04Å; R469-F472 PolarHBondContact O-N 3.14Å; Q470-F472 PolarHBondContact O-N 3.3Å; F472-L474 VanDerWaalsContact C-N 3.34Å; F472-F475 HydrophobicContact CD2-CD1 4.34Å; F472-F475 HydrophobicContact CE2-CD1 4.32Å; F472-F475 WeakPolarHBondContact O-CB 3.23Å; F472-F475 PolarHBondContact O-N 3.21Å; F472-K476 PolarHBondContact O-N 3.06Å; F472-L507 HydrophobicContact CD2-CD1 4.46Å; F472-L507 HydrophobicContact CE2-CD1 3.94Å; F472-Y510 HydrophobicContact CB-CD1 4.25Å; F472-Y510 WeakPolarHBondContact CE1-O 3.48Å; F472-Y510 HydrophobicContact CG-CD1 4.48Å; F472-C511 HydrophobicContact CZ-CB 4.33Å; F472-Y514 HydrophobicContact CD1-CD2 4.42Å; F472-I517 HydrophobicContact CD1-CB 3.67Å; F472-I517 HydrophobicContact CD1-CD1 3.91Å; F472-I517 HydrophobicContact CD1-CG1 4.33Å; F472-I517 HydrophobicContact CD1-CG2 3.59Å; F472-I517 HydrophobicContact CE1-CB 3.75Å; F472-I517 HydrophobicContact CE1-CG2 3.88Å; F472-I517 HydrophobicContact CG-CG2 4.18Å; F472-I518 HydrophobicContact CD2-CD1 4.49Å; F472-I518 HydrophobicContact CE1-CB 4.25Å; F472-I518 HydrophobicContact CE1-CG1 4.25Å; F472-I518 HydrophobicContact CE2-CB 4.45Å; F472-I518 HydrophobicContact CE2-CD1 3.81Å; F472-I518 HydrophobicContact CE2-CG1 4.19Å; F472-I518 HydrophobicContact CZ-CB 3.72Å; F472-I518 HydrophobicContact CZ-CD1 3.95Å; F472-I518 HydrophobicContact CZ-CG1 4.04Å; F472-I518 HydrophobicContact CZ-CG2 4.47Å |
| 473 | H | 84.6 | Confident | 78.5 | Confident | 91.5 Ų | 91.5 | 49.1 Ų | 49.1 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.4 | -40 | 171.1 | -172.8 | -76.7 | 0 | 0 | 0 | 111.9 | R469 Q470 F475 K476 Q477 I517 | R469-H473 PolarHBondContact O-N 3.28Å; Q470-H473 PolarHBondContact O-N 3.08Å; H473-F475 VanDerWaalsContact C-N 3.32Å; H473-F475 PolarHBondContact O-N 3.38Å; H473-K476 WeakPolarHBondContact O-CB 3.37Å; H473-K476 PolarHBondContact O-N 3.21Å; H473-Q477 PolarHBondContact CE1-OE1 3.27Å; H473-Q477 PolarHBondContact ND1-OE1 2.97Å; H473-Q477 PolarHBondContact O-N 3.24Å; H473-Q477 VanDerWaalsContact O-N 3.08Å; H473-I517 HydrophobicContact CB-CD1 4.28Å |
| 474 | L | 83.2 | Confident | 76.9 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.3 | -167 | 131.2 | 0 | 0 | 0 | 110.7 | F374 L375 T378 W434 I436 Q470 S471 F472 Q477 F478 | F374-L474 HydrophobicContact CB-CD2 4.05Å; L375-L474 HydrophobicContact CD2-CD2 4.18Å; T378-L474 HydrophobicContact CG2-CB 4.06Å; T378-L474 HydrophobicContact CG2-CD1 3.58Å; T378-L474 HydrophobicContact CG2-CD2 4.45Å; T378-L474 HydrophobicContact CG2-CG 4.21Å; W434-L474 HydrophobicContact CB-CD1 4.38Å; I436-L474 HydrophobicContact CD1-CB 4.41Å; I436-L474 HydrophobicContact CD1-CD1 4Å; I436-L474 HydrophobicContact CD1-CD2 3.71Å; I436-L474 HydrophobicContact CD1-CG 3.51Å; I436-L474 VanDerWaalsContact CD1-CG 3.46Å; I436-L474 WeakPolarHBondContact CD1-O 3.36Å; I436-L474 HydrophobicContact CG1-CD1 4Å; I436-L474 HydrophobicContact CG1-CD2 4.34Å; I436-L474 HydrophobicContact CG1-CG 4.3Å; Q470-L474 VanDerWaalsContact O-CB 3.31Å; Q470-L474 WeakPolarHBondContact O-CB 3.33Å; Q470-L474 PolarHBondContact O-N 3.2Å; S471-L474 WeakPolarHBondContact O-CB 3.34Å; S471-L474 PolarHBondContact O-N 2.94Å; F472-L474 VanDerWaalsContact C-N 3.34Å; L474-Q477 WeakPolarHBondContact O-CB 3.49Å; L474-Q477 PolarHBondContact O-N 3.36Å; L474-F478 HydrophobicContact CD2-CD2 4.44Å; L474-F478 HydrophobicContact CD2-CE1 3.99Å; L474-F478 HydrophobicContact CD2-CE2 3.49Å; L474-F478 VanDerWaalsContact CD2-CE2 3.41Å; L474-F478 HydrophobicContact CD2-CZ 3.21Å; L474-F478 HydrophobicContact CG-CE1 4.15Å; L474-F478 HydrophobicContact CG-CE2 4.21Å; L474-F478 HydrophobicContact CG-CZ 3.78Å; L474-F478 WeakPolarHBondContact O-CD1 3.49Å; L474-F478 WeakPolarHBondContact O-CG 3.41Å; L474-F478 PolarHBondContact O-N 3.1Å |
| 475 | F | 86.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 170.2 | -176.8 | -101.8 | 0 | 0 | 0 | 113 | L375 L459 F464 I466 S471 F472 H473 Q477 F478 V479 Y493 F494 L507 I518 | L375-F475 HydrophobicContact CD1-CD2 4.36Å; L375-F475 HydrophobicContact CD2-CB 3.86Å; L459-F475 HydrophobicContact CD1-CE2 4.08Å; F464-F475 HydrophobicContact CE2-CD2 4.08Å; F464-F475 AromaticContact CE2-CE2 3.9Å; F464-F475 HydrophobicContact CE2-CE2 3.9Å; F464-F475 HydrophobicContact CZ-CD2 4.18Å; F464-F475 AromaticContact CZ-CE2 3.91Å; F464-F475 HydrophobicContact CZ-CE2 3.91Å; F464-F475 HydrophobicContact CZ-CZ 4.44Å; I466-F475 HydrophobicContact CD1-CG 4.45Å; S471-F475 WeakPolarHBondContact O-CB 3.43Å; S471-F475 PolarHBondContact O-N 3.09Å; F472-F475 HydrophobicContact CD2-CD1 4.34Å; F472-F475 HydrophobicContact CE2-CD1 4.32Å; F472-F475 WeakPolarHBondContact O-CB 3.23Å; F472-F475 PolarHBondContact O-N 3.21Å; H473-F475 VanDerWaalsContact C-N 3.32Å; H473-F475 PolarHBondContact O-N 3.38Å; F475-Q477 VanDerWaalsContact C-N 3.26Å; F475-Q477 PolarHBondContact O-N 3.25Å; F475-F478 HydrophobicContact CD2-CD2 4.39Å; F475-F478 WeakPolarHBondContact O-CA 3.48Å; F475-F478 WeakPolarHBondContact O-CB 3.29Å; F475-F478 PolarHBondContact O-N 3.33Å; F475-F478 VanDerWaalsContact O-N 3.11Å; F475-V479 HydrophobicContact CD1-CG2 4.08Å; F475-V479 HydrophobicContact CD2-CG2 4.46Å; F475-V479 HydrophobicContact CE1-CG2 3.59Å; F475-V479 HydrophobicContact CE2-CG2 4.08Å; F475-V479 HydrophobicContact CG-CG2 4.48Å; F475-V479 HydrophobicContact CZ-CG2 3.59Å; F475-V479 WeakPolarHBondContact O-CG2 3.25Å; F475-V479 PolarHBondContact O-N 3.09Å; F475-Y493 HydrophobicContact CZ-CE1 4.23Å; F475-F494 HydrophobicContact CE1-CE1 4.28Å; F475-L507 HydrophobicContact CD1-CD1 3.89Å; F475-L507 HydrophobicContact CE1-CD1 3.45Å; F475-L507 VanDerWaalsContact CE1-CD1 3.45Å; F475-L507 HydrophobicContact CE1-CD2 4.38Å; F475-L507 HydrophobicContact CZ-CD1 3.92Å; F475-L507 HydrophobicContact CZ-CD2 4.24Å; F475-I518 HydrophobicContact CD1-CD1 3.71Å; F475-I518 HydrophobicContact CE1-CD1 4.01Å |
| 476 | K | 82.4 | Confident | 73.1 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.1 | -42.6 | 172.8 | -178.7 | -172.1 | -171.7 | 156.4 | 0 | 111.5 | F472 H473 F478 V479 L480 I517 I518 | F472-K476 PolarHBondContact O-N 3.06Å; H473-K476 WeakPolarHBondContact O-CB 3.37Å; H473-K476 PolarHBondContact O-N 3.21Å; K476-F478 VanDerWaalsContact C-N 3.35Å; K476-V479 PolarHBondContact O-N 3.27Å; K476-L480 HydrophobicContact CD-CD1 4.31Å; K476-L480 HydrophobicContact CG-CD1 3.69Å; K476-L480 HydrophobicContact CG-CG 4.37Å; K476-L480 WeakPolarHBondContact O-CB 3.3Å; K476-L480 PolarHBondContact O-N 2.88Å; K476-I517 HydrophobicContact CB-CG2 3.92Å; K476-I517 HydrophobicContact CD-CG2 3.96Å; K476-I517 WeakPolarHBondContact CD-O 3.42Å; K476-I517 WeakPolarHBondContact CE-O 3.2Å; K476-I517 HydrophobicContact CG-CG2 4.45Å; K476-I517 PolarHBondContact NZ-O 2.81Å; K476-I518 HydrophobicContact CB-CD1 4.1Å; K476-I518 HydrophobicContact CB-CG1 4.06Å; K476-I518 HydrophobicContact CG-CG1 4.14Å |
| 477 | Q | 79.8 | Confident | 71.5 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 176.3 | -71.5 | 174.2 | -57.2 | 0 | 0 | 111.5 | I436 H473 L474 F475 V479 L480 N481 | I436-Q477 HydrophobicContact CD1-CB 3.63Å; I436-Q477 VanDerWaalsContact CD1-CB 3.48Å; H473-Q477 PolarHBondContact CE1-OE1 3.27Å; H473-Q477 PolarHBondContact ND1-OE1 2.97Å; H473-Q477 PolarHBondContact O-N 3.24Å; H473-Q477 VanDerWaalsContact O-N 3.08Å; L474-Q477 WeakPolarHBondContact O-CB 3.49Å; L474-Q477 PolarHBondContact O-N 3.36Å; F475-Q477 VanDerWaalsContact C-N 3.26Å; F475-Q477 PolarHBondContact O-N 3.25Å; Q477-V479 VanDerWaalsContact C-N 3.29Å; Q477-V479 PolarHBondContact O-N 3.27Å; Q477-L480 PolarHBondContact O-N 3.38Å; Q477-N481 WeakPolarHBondContact O-CA 3.23Å; Q477-N481 VanDerWaalsContact O-CB 3.25Å; Q477-N481 WeakPolarHBondContact O-CB 3.39Å; Q477-N481 PolarHBondContact O-N 2.99Å |
| 478 | F | 78.6 | Confident | 70.3 | Confident | 1.5 Ų | 1.5 | 75.3 Ų | 75.3 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 172.1 | -59 | -31.8 | 0 | 0 | 0 | 113.3 | L371 F374 L375 I436 F440 L474 F475 K476 | L371-F478 HydrophobicContact CB-CD2 4.41Å; L371-F478 HydrophobicContact CB-CE2 3.89Å; L371-F478 HydrophobicContact CB-CZ 4.1Å; L371-F478 HydrophobicContact CD2-CD1 3.68Å; L371-F478 HydrophobicContact CD2-CD2 4.19Å; L371-F478 HydrophobicContact CD2-CE1 3.31Å; L371-F478 HydrophobicContact CD2-CE2 3.88Å; L371-F478 HydrophobicContact CD2-CG 4.1Å; L371-F478 HydrophobicContact CD2-CZ 3.44Å; L371-F478 VanDerWaalsContact CD2-CZ 3.44Å; L371-F478 HydrophobicContact CG-CE2 4.37Å; L371-F478 HydrophobicContact CG-CZ 4.32Å; F374-F478 HydrophobicContact CB-CZ 3.99Å; F374-F478 HydrophobicContact CD2-CE1 4.21Å; F374-F478 AromaticContact CD2-CZ 3.92Å; F374-F478 HydrophobicContact CD2-CZ 3.92Å; F374-F478 HydrophobicContact CG-CZ 4.49Å; L375-F478 HydrophobicContact CD2-CE2 4Å; L375-F478 HydrophobicContact CG-CE2 4.08Å; I436-F478 HydrophobicContact CB-CD1 4.42Å; I436-F478 HydrophobicContact CB-CE1 4.27Å; I436-F478 HydrophobicContact CD1-CD1 3.73Å; I436-F478 VanDerWaalsContact CD1-CD1 3.49Å; I436-F478 HydrophobicContact CD1-CE1 3.45Å; I436-F478 HydrophobicContact CD1-CG 4.31Å; I436-F478 HydrophobicContact CD1-CZ 4.21Å; I436-F478 HydrophobicContact CG1-CD1 4.18Å; I436-F478 HydrophobicContact CG1-CE1 3.6Å; I436-F478 HydrophobicContact CG1-CZ 4.39Å; I436-F478 HydrophobicContact CG2-CD1 3.61Å; I436-F478 HydrophobicContact CG2-CE1 3.7Å; F440-F478 AromaticContact CE2-CD1 3.71Å; F440-F478 HydrophobicContact CE2-CD1 3.71Å; F440-F478 HydrophobicContact CE2-CE1 4.15Å; F440-F478 HydrophobicContact CZ-CD1 4.35Å; L474-F478 HydrophobicContact CD2-CD2 4.44Å; L474-F478 HydrophobicContact CD2-CE1 3.99Å; L474-F478 HydrophobicContact CD2-CE2 3.49Å; L474-F478 VanDerWaalsContact CD2-CE2 3.41Å; L474-F478 HydrophobicContact CD2-CZ 3.21Å; L474-F478 HydrophobicContact CG-CE1 4.15Å; L474-F478 HydrophobicContact CG-CE2 4.21Å; L474-F478 HydrophobicContact CG-CZ 3.78Å; L474-F478 WeakPolarHBondContact O-CD1 3.49Å; L474-F478 WeakPolarHBondContact O-CG 3.41Å; L474-F478 PolarHBondContact O-N 3.1Å; F475-F478 HydrophobicContact CD2-CD2 4.39Å; F475-F478 WeakPolarHBondContact O-CA 3.48Å; F475-F478 WeakPolarHBondContact O-CB 3.29Å; F475-F478 PolarHBondContact O-N 3.33Å; F475-F478 VanDerWaalsContact O-N 3.11Å; K476-F478 VanDerWaalsContact C-N 3.35Å |
| 479 | V | 76.2 | Confident | 69.4 | Low | 5.5 Ų | 5.5 | 75.1 Ų | 75.1 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -74.4 | -37.1 | -175 | 170.1 | 0 | 0 | 0 | 0 | 112.1 | L456 F475 K476 Q477 I489 W523 | L456-V479 HydrophobicContact CD2-CG2 4.25Å; F475-V479 HydrophobicContact CD1-CG2 4.08Å; F475-V479 HydrophobicContact CD2-CG2 4.46Å; F475-V479 HydrophobicContact CE1-CG2 3.59Å; F475-V479 HydrophobicContact CE2-CG2 4.08Å; F475-V479 HydrophobicContact CG-CG2 4.48Å; F475-V479 HydrophobicContact CZ-CG2 3.59Å; F475-V479 WeakPolarHBondContact O-CG2 3.25Å; F475-V479 PolarHBondContact O-N 3.09Å; K476-V479 PolarHBondContact O-N 3.27Å; Q477-V479 VanDerWaalsContact C-N 3.29Å; Q477-V479 PolarHBondContact O-N 3.27Å; V479-I489 HydrophobicContact CB-CD1 4.05Å; V479-I489 HydrophobicContact CG1-CD1 3.62Å; V479-I489 VanDerWaalsContact CG1-CD1 3.44Å; V479-I489 HydrophobicContact CG2-CD1 4.42Å; V479-I489 VanDerWaalsContact O-CD1 3.29Å; V479-I489 WeakPolarHBondContact O-CD1 3.34Å; V479-W523 HydrophobicContact CG1-CH2 4.22Å; V479-W523 HydrophobicContact CG1-CZ2 4.29Å |
| 480 | L | 73.5 | Confident | 68.6 | Low | 99 Ų | 99 | 73.5 Ų | 73.5 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 11.9 | -173.8 | -60.4 | 177.7 | 0 | 0 | 0 | 113.9 | K476 Q477 N482 W523 | K476-L480 HydrophobicContact CD-CD1 4.31Å; K476-L480 HydrophobicContact CG-CD1 3.69Å; K476-L480 HydrophobicContact CG-CG 4.37Å; K476-L480 WeakPolarHBondContact O-CB 3.3Å; K476-L480 PolarHBondContact O-N 2.88Å; Q477-L480 PolarHBondContact O-N 3.38Å; L480-N482 PolarHBondContact O-N 3.31Å; L480-W523 HydrophobicContact CD2-CZ2 4.45Å |
| 481 | N | 62.9 | Low | 67.9 | Low | 40.5 Ų | 40.5 | 67.9 Ų | 67.9 | 22% | 0.217 | 34% | 0.343 | C | S | . | . | trans | -66.4 | 82.4 | -171 | -164.4 | 3.5 | 0 | 0 | 0 | 113.9 | D437 F440 Q477 N483 | D437-N481 VanDerWaalsContact OD1-CG 3.27Å; D437-N481 PolarHBondContact OD1-ND2 2.83Å; D437-N481 PolarHBondContact OD1-OD1 3.13Å; F440-N481 WeakPolarHBondContact CB-ND2 3.28Å; F440-N481 WeakPolarHBondContact CG-ND2 3.15Å; Q477-N481 WeakPolarHBondContact O-CA 3.23Å; Q477-N481 VanDerWaalsContact O-CB 3.25Å; Q477-N481 WeakPolarHBondContact O-CB 3.39Å; Q477-N481 PolarHBondContact O-N 2.99Å; N481-N483 PolarHBondContact O-N 2.83Å | ||
| 482 | N | 53 | Low | 67.5 | Low | 60.5 Ų | 60.5 | 73.2 Ų | 73.2 | 32% | 0.324 | 37% | 0.372 | S | S | . | . | trans | -29 | 94 | 172.9 | -84.1 | -57.4 | 0 | 0 | 0 | 114.1 | D437 L452 L480 N484 | D437-N482 PolarHBondContact OD1-ND2 3.18Å; D437-N482 PolarHBondContact OD2-ND2 3.03Å; L452-N482 WeakPolarHBondContact CD2-ND2 3.29Å; L480-N482 PolarHBondContact O-N 3.31Å; N482-N484 PolarHBondContact O-N 3.47Å | ||
| 483 | N | 49.7 | Very low | 67.2 | Low | 137.5 Ų | 137.5 | 74 Ų | 74 | 74% | 0.735 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 3.2 | 45.6 | 150.8 | -75.4 | -43.7 | 0 | 0 | 0 | 115.7 | N481 | N481-N483 PolarHBondContact O-N 2.83Š|
| 484 | N | 46 | Very low | 67.1 | Low | 129 Ų | 129 | 69.6 Ų | 69.6 | 69% | 0.69 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 158.5 | 90.9 | 167 | -58.3 | -36.4 | 0 | 0 | 0 | 113.5 | N482 Q486 | N482-N484 PolarHBondContact O-N 3.47Å; N484-Q486 PolarHBondContact O-N 3.03Å |
| 485 | N | 46.8 | Very low | 67.1 | Low | 156 Ų | 156 | 70.5 Ų | 70.5 | 83% | 0.834 | 36% | 0.358 | S | S | * | . | trans | -115.2 | 78.8 | 143.4 | -85.2 | -28.7 | 0 | 0 | 0 | 115.4 | ||||
| 486 | Q | 46.4 | Very low | 67.1 | Low | 166 Ų | 166 | 75.1 Ų | 75.1 | 78% | 0.776 | 38% | 0.379 | S | S | * | . | trans | -39.7 | 42.7 | 167.3 | -72.7 | -179.4 | -17.3 | 0 | 0 | 117.3 | N484 H488 | N484-Q486 PolarHBondContact O-N 3.03Å; Q486-H488 VanDerWaalsContact C-N 3.3Å; Q486-H488 PolarHBondContact O-N 3.06Å | ||
| 487 | F | 49.6 | Very low | 67.2 | Low | 135 Ų | 135 | 74.3 Ų | 74.3 | 59% | 0.592 | 38% | 0.381 | S | S | * | . | trans | -35.3 | 63.2 | 161.6 | -60.1 | -72.1 | 0 | 0 | 0 | 114.5 | I489 D522 | F487-I489 PolarHBondContact O-N 3.37Å; F487-D522 WeakPolarHBondContact CE1-O 3.06Å | ||
| 488 | H | 56.7 | Low | 67.6 | Low | 167 Ų | 167 | 71.1 Ų | 71.1 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | trans | -74.6 | 54.3 | 175 | -125.5 | -69.2 | 0 | 0 | 0 | 111.1 | Q486 S490 | Q486-H488 VanDerWaalsContact C-N 3.3Å; Q486-H488 PolarHBondContact O-N 3.06Å; H488-S490 PolarHBondContact O-N 3.01Å | ||
| 489 | I | 64.4 | Low | 67.8 | Low | 15 Ų | 15 | 77.5 Ų | 77.5 | 8% | 0.077 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -80.1 | 125.9 | 168.8 | -64.2 | 161.5 | 0 | 0 | 0 | 107.1 | L452 L456 V479 F487 Y493 W523 | L452-I489 HydrophobicContact CD2-CD1 4.36Å; L456-I489 HydrophobicContact CD1-CD1 3.41Å; L456-I489 HydrophobicContact CD1-CG1 3.76Å; L456-I489 HydrophobicContact CD1-CG2 4.32Å; V479-I489 HydrophobicContact CB-CD1 4.05Å; V479-I489 HydrophobicContact CG1-CD1 3.62Å; V479-I489 VanDerWaalsContact CG1-CD1 3.44Å; V479-I489 HydrophobicContact CG2-CD1 4.42Å; V479-I489 VanDerWaalsContact O-CD1 3.29Å; V479-I489 WeakPolarHBondContact O-CD1 3.34Å; F487-I489 PolarHBondContact O-N 3.37Å; I489-Y493 HydrophobicContact CG2-CG 4.36Å; I489-W523 HydrophobicContact CB-CH2 4.18Å; I489-W523 HydrophobicContact CB-CZ3 4.01Å; I489-W523 HydrophobicContact CG2-CZ3 4.4Å; I489-W523 WeakPolarHBondContact O-CZ3 3.46Å |
| 490 | S | 67.2 | Low | 68.3 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | trans | -66.7 | 137.8 | 175.2 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | H488 D492 Y493 | H488-S490 PolarHBondContact O-N 3.01Å; S490-D492 WeakPolarHBondContact CB-OD2 3.19Å; S490-D492 PolarHBondContact O-N 3.26Å; S490-D492 VanDerWaalsContact O-N 3.08Å; S490-Y493 WeakPolarHBondContact O-CB 3.36Å; S490-Y493 PolarHBondContact O-N 3.18Å | ||
| 491 | A | 68.7 | Low | 68.9 | Low | 6.5 Ų | 6.5 | 76.5 Ų | 76.5 | 5% | 0.054 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -28.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y493 F494 Y495 W523 P524 | A491-Y493 PolarHBondContact O-N 3.09Å; A491-F494 PolarHBondContact O-N 3.04Å; A491-F494 VanDerWaalsContact O-N 3.07Å; A491-Y495 HydrophobicContact CB-CD2 4.32Å; A491-Y495 HydrophobicContact CB-CE2 3.98Å; A491-Y495 VanDerWaalsContact O-CD2 3.28Å; A491-Y495 WeakPolarHBondContact O-CD2 3.35Å; A491-W523 HydrophobicContact CB-CB 3.94Å; A491-W523 HydrophobicContact CB-CG 4.42Å; A491-P524 HydrophobicContact CB-CG 3.95Å; A491-P524 VanDerWaalsContact CB-O 3.25Å; A491-P524 WeakPolarHBondContact CB-O 3.25Å |
| 492 | D | 75.4 | Confident | 70.1 | Confident | 111.5 Ų | 111.5 | 79.6 Ų | 79.6 | 60% | 0.596 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -46 | -29.8 | 171.2 | -58.7 | -26.1 | 0 | 0 | 0 | 113.9 | S490 F494 Y495 H496 | S490-D492 WeakPolarHBondContact CB-OD2 3.19Å; S490-D492 PolarHBondContact O-N 3.26Å; S490-D492 VanDerWaalsContact O-N 3.08Å; D492-F494 VanDerWaalsContact C-N 3.3Å; D492-F494 PolarHBondContact O-N 3.21Å; D492-Y495 PolarHBondContact O-N 2.86Å; D492-H496 WeakPolarHBondContact O-CA 3.28Å; D492-H496 VanDerWaalsContact O-CB 3.28Å; D492-H496 WeakPolarHBondContact O-CB 3.46Å; D492-H496 PolarHBondContact O-CD2 2.76Å; D492-H496 PolarHBondContact O-N 3.06Å |
| 493 | Y | 80.1 | Confident | 71.7 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 177.9 | 179.8 | -105.9 | 0 | 0 | 0 | 113.3 | L456 F475 I489 S490 A491 H496 W498 | L456-Y493 HydrophobicContact CB-CD2 4.28Å; L456-Y493 HydrophobicContact CB-CE1 4.3Å; L456-Y493 HydrophobicContact CB-CE2 3.78Å; L456-Y493 HydrophobicContact CD2-CE1 4.31Å; L456-Y493 WeakPolarHBondContact O-CE2 3.37Å; L456-Y493 PolarHBondContact O-OH 3.18Å; F475-Y493 HydrophobicContact CZ-CE1 4.23Å; I489-Y493 HydrophobicContact CG2-CG 4.36Å; S490-Y493 WeakPolarHBondContact O-CB 3.36Å; S490-Y493 PolarHBondContact O-N 3.18Å; A491-Y493 PolarHBondContact O-N 3.09Å; Y493-H496 AromaticContact CD2-NE2 3.87Å; Y493-H496 PolarHBondContact O-CD2 3.42Å; Y493-W498 HydrophobicContact CE1-CH2 4.37Å; Y493-W498 AromaticContact CE1-CZ2 3.63Å; Y493-W498 HydrophobicContact CE1-CZ2 3.9Å; Y493-W498 HydrophobicContact CE2-CZ2 4.02Å; Y493-W498 AromaticContact CZ-CH2 3.98Å; Y493-W498 AromaticContact CZ-CZ2 3.47Å; Y493-W498 PolarHBondContact O-NE1 3.47Å; Y493-W498 VanDerWaalsContact O-NE1 3.16Å; Y493-W498 WeakPolarHBondContact OH-CH2 3.33Å; Y493-W498 WeakPolarHBondContact OH-CZ2 3.3Å |
| 494 | F | 81.8 | Confident | 73.7 | Confident | 0.5 Ų | 0.5 | 70.4 Ų | 70.4 | 0% | 0.002 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -78.9 | -34.1 | 179.7 | -63.3 | -79.1 | 0 | 0 | 0 | 112.2 | F475 A491 D492 Q504 L507 I518 L520 W523 | F475-F494 HydrophobicContact CE1-CE1 4.28Å; A491-F494 PolarHBondContact O-N 3.04Å; A491-F494 VanDerWaalsContact O-N 3.07Å; D492-F494 VanDerWaalsContact C-N 3.3Å; D492-F494 PolarHBondContact O-N 3.21Å; F494-Q504 PolarHBondContact O-NE2 3.16Å; F494-L507 HydrophobicContact CD1-CD2 3.9Å; F494-L507 HydrophobicContact CD1-CG 4.39Å; F494-L507 HydrophobicContact CE1-CD1 4.34Å; F494-L507 HydrophobicContact CE1-CD2 4.11Å; F494-L507 HydrophobicContact CE1-CG 4.49Å; F494-I518 HydrophobicContact CZ-CG2 4.43Å; F494-L520 HydrophobicContact CB-CD2 4.29Å; F494-L520 HydrophobicContact CD1-CD2 3.88Å; F494-L520 HydrophobicContact CD2-CD2 3.91Å; F494-L520 HydrophobicContact CE1-CD2 4.14Å; F494-L520 HydrophobicContact CE2-CD2 4.17Å; F494-L520 HydrophobicContact CG-CD2 3.76Å; F494-L520 HydrophobicContact CZ-CD2 4.28Å; F494-W523 HydrophobicContact CE2-CD2 4.27Å; F494-W523 AromaticContact CE2-CE2 3.77Å; F494-W523 HydrophobicContact CE2-CH2 4.39Å; F494-W523 AromaticContact CE2-CZ2 3.84Å; F494-W523 HydrophobicContact CE2-CZ2 4.02Å; F494-W523 HydrophobicContact CZ-CH2 4.35Å; F494-W523 HydrophobicContact CZ-CZ2 4.13Å |
| 495 | Y | 84.7 | Confident | 75.7 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -97.3 | -19.2 | -171.1 | -51 | -49.4 | 0 | 0 | 0 | 114.3 | A491 D492 L520 N550 D552 A556 | A491-Y495 HydrophobicContact CB-CD2 4.32Å; A491-Y495 HydrophobicContact CB-CE2 3.98Å; A491-Y495 VanDerWaalsContact O-CD2 3.28Å; A491-Y495 WeakPolarHBondContact O-CD2 3.35Å; D492-Y495 PolarHBondContact O-N 2.86Å; Y495-L520 HydrophobicContact CE1-CD1 4.44Å; Y495-N550 PolarHBondContact OH-ND2 2.75Å; Y495-D552 HydrophobicContact CD1-CB 3.99Å; Y495-D552 HydrophobicContact CD2-CB 3.75Å; Y495-D552 HydrophobicContact CE1-CB 4.18Å; Y495-D552 HydrophobicContact CE2-CB 3.93Å; Y495-D552 HydrophobicContact CG-CB 3.79Å; Y495-A556 HydrophobicContact CD1-CB 4.4Å |
| 496 | H | 84.6 | Confident | 77.7 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -64.9 | 155 | 174.2 | 131.1 | 72.5 | 0 | 0 | 0 | 110.7 | D492 Y493 W498 Q504 | D492-H496 WeakPolarHBondContact O-CA 3.28Å; D492-H496 VanDerWaalsContact O-CB 3.28Å; D492-H496 WeakPolarHBondContact O-CB 3.46Å; D492-H496 PolarHBondContact O-CD2 2.76Å; D492-H496 PolarHBondContact O-N 3.06Å; Y493-H496 AromaticContact CD2-NE2 3.87Å; Y493-H496 PolarHBondContact O-CD2 3.42Å; H496-W498 AromaticContact CE1-CD1 3.24Å; H496-W498 AromaticContact CE1-NE1 3.48Å; H496-W498 PolarHBondContact CE1-NE1 3.49Å; H496-W498 AromaticContact ND1-CD1 3.47Å; H496-W498 AromaticContact NE2-CD1 3.94Å; H496-W498 AromaticContact NE2-NE1 3.72Å; H496-W498 PolarHBondContact O-N 3.08Å; H496-Q504 PolarHBondContact O-NE2 2.97Å; H496-Q504 PolarHBondContact O-OE1 3.41Å |
| 497 | S | 85.3 | Confident | 79.8 | Confident | 45.5 Ų | 45.5 | 49.8 Ų | 49.8 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | trans | -84.5 | 113.4 | -176.5 | -149.7 | 0 | 0 | 0 | 0 | 111 | K563 | S497-K563 VanDerWaalsContact OG-CE 3.24Å; S497-K563 WeakPolarHBondContact OG-CE 3.44Å; S497-K563 PolarHBondContact OG-NZ 3.13Å | ||
| 498 | W | 87.2 | Confident | 81.7 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | trans | -74.7 | 151.8 | 176.7 | -69.3 | 29.6 | 0 | 0 | 0 | 111.6 | D460 F464 Y493 H496 Q504 L507 K563 | D460-W498 HydrophobicContact CB-CD2 4.2Å; D460-W498 HydrophobicContact CB-CE3 3.98Å; D460-W498 HydrophobicContact CB-CG 4.45Å; D460-W498 VanDerWaalsContact OD2-CA 3.28Å; D460-W498 WeakPolarHBondContact OD2-CA 3.47Å; D460-W498 WeakPolarHBondContact OD2-CB 3.35Å; F464-W498 AromaticContact CD1-CH2 3.9Å; F464-W498 HydrophobicContact CD1-CH2 4.01Å; F464-W498 AromaticContact CD1-CZ3 3.59Å; F464-W498 HydrophobicContact CD1-CZ3 3.59Å; F464-W498 AromaticContact CE1-CH2 3.76Å; F464-W498 HydrophobicContact CE1-CH2 3.76Å; F464-W498 AromaticContact CE1-CZ3 3.81Å; F464-W498 HydrophobicContact CE1-CZ3 3.81Å; F464-W498 HydrophobicContact CG-CH2 4.41Å; F464-W498 HydrophobicContact CG-CZ3 4.12Å; F464-W498 HydrophobicContact CZ-CH2 4.07Å; F464-W498 HydrophobicContact CZ-CZ3 4.37Å; Y493-W498 HydrophobicContact CE1-CH2 4.37Å; Y493-W498 AromaticContact CE1-CZ2 3.63Å; Y493-W498 HydrophobicContact CE1-CZ2 3.9Å; Y493-W498 HydrophobicContact CE2-CZ2 4.02Å; Y493-W498 AromaticContact CZ-CH2 3.98Å; Y493-W498 AromaticContact CZ-CZ2 3.47Å; Y493-W498 PolarHBondContact O-NE1 3.47Å; Y493-W498 VanDerWaalsContact O-NE1 3.16Å; Y493-W498 WeakPolarHBondContact OH-CH2 3.33Å; Y493-W498 WeakPolarHBondContact OH-CZ2 3.3Å; H496-W498 AromaticContact CE1-CD1 3.24Å; H496-W498 AromaticContact CE1-NE1 3.48Å; H496-W498 PolarHBondContact CE1-NE1 3.49Å; H496-W498 AromaticContact ND1-CD1 3.47Å; H496-W498 AromaticContact NE2-CD1 3.94Å; H496-W498 AromaticContact NE2-NE1 3.72Å; H496-W498 PolarHBondContact O-N 3.08Å; W498-Q504 HydrophobicContact CB-CB 3.89Å; W498-Q504 HydrophobicContact CB-CG 4.36Å; W498-Q504 HydrophobicContact CD2-CB 3.76Å; W498-Q504 HydrophobicContact CD2-CG 4.08Å; W498-Q504 HydrophobicContact CE3-CB 4.01Å; W498-Q504 HydrophobicContact CG-CB 3.73Å; W498-Q504 HydrophobicContact CG-CG 3.88Å; W498-L507 HydrophobicContact CH2-CD2 4.16Å; W498-L507 HydrophobicContact CZ2-CD2 3.93Å; W498-K563 PolarHBondContact O-NZ 2.81Å | ||
| 499 | I | 83.9 | Confident | 83.2 | Confident | 136.5 Ų | 136.5 | 38.1 Ų | 38.1 | 70% | 0.7 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -64.7 | -47.7 | 170.8 | -59.4 | 173.5 | 0 | 0 | 0 | 109.1 | D460 S501 | D460-I499 PolarHBondContact OD1-N 3.42Å; D460-I499 WeakPolarHBondContact OD2-CB 3.39Å; D460-I499 PolarHBondContact OD2-N 3.11Å; I499-S501 PolarHBondContact O-N 2.84Å; I499-S501 VanDerWaalsContact O-N 3.13Å |
| 500 | H | 86.2 | Confident | 84.3 | Confident | 65.5 Ų | 65.5 | 39.5 Ų | 39.5 | 30% | 0.303 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -90.9 | 80.4 | 179.4 | -56.6 | 87.2 | 0 | 0 | 0 | 110.5 | D460 C461 S462 I502 G503 Q504 | D460-H500 VanDerWaalsContact C-ND1 3.29Å; D460-H500 PolarHBondContact O-CE1 2.96Å; D460-H500 VanDerWaalsContact O-CE1 3.27Å; D460-H500 PolarHBondContact O-ND1 3.24Å; D460-H500 WeakPolarHBondContact OD1-CB 3.27Å; D460-H500 IonicContact OD1-CG 3.09Å; D460-H500 PolarHBondContact OD1-N 3.32Å; D460-H500 IonicContact OD1-ND1 3.31Å; D460-H500 PolarHBondContact OD1-ND1 3.41Å; C461-H500 VanDerWaalsContact C-CG 3.45Å; C461-H500 VanDerWaalsContact CA-ND1 3.31Å; C461-H500 WeakPolarHBondContact CA-ND1 3.45Å; C461-H500 PolarHBondContact N-ND1 2.99Å; S462-H500 PolarHBondContact N-CD2 3.07Å; S462-H500 VanDerWaalsContact N-CD2 3.3Å; S462-H500 PolarHBondContact N-NE2 2.78Å; H500-I502 VanDerWaalsContact C-N 3.29Å; H500-I502 PolarHBondContact O-N 3.06Å; H500-G503 PolarHBondContact O-N 3.25Å; H500-Q504 PolarHBondContact O-N 3.13Å |
| 501 | S | 87.4 | Confident | 85.2 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.8 | -32.4 | -175.6 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | I499 Q504 L505 L560 L565 | I499-S501 PolarHBondContact O-N 2.84Å; I499-S501 VanDerWaalsContact O-N 3.13Å; S501-Q504 PolarHBondContact O-N 3.18Å; S501-L505 WeakPolarHBondContact O-CB 3.38Å; S501-L505 PolarHBondContact O-N 3.27Å; S501-L560 WeakPolarHBondContact O-CD2 3.24Å; S501-L565 WeakPolarHBondContact O-CD1 3.33Å |
| 502 | I | 87.8 | Confident | 85.9 | Confident | 105 Ų | 105 | 37.1 Ų | 37.1 | 54% | 0.538 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.8 | -43.5 | -180 | -57.9 | 167.2 | 0 | 0 | 0 | 110.9 | M465 H500 L505 S506 L565 | M465-I502 HydrophobicContact CE-CG2 4.13Å; M465-I502 HydrophobicContact SD-CG2 3.75Å; H500-I502 VanDerWaalsContact C-N 3.29Å; H500-I502 PolarHBondContact O-N 3.06Å; I502-L505 PolarHBondContact O-N 2.89Å; I502-S506 PolarHBondContact O-N 3.37Å; I502-L565 HydrophobicContact CG1-CD1 4.41Å; I502-L565 HydrophobicContact CG1-CD2 4.09Å |
| 503 | G | 86.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F464 H500 L505 S506 L507 | F464-G503 VanDerWaalsContact O-CA 3.27Å; F464-G503 WeakPolarHBondContact O-CA 3.29Å; H500-G503 PolarHBondContact O-N 3.25Å; G503-L505 PolarHBondContact O-N 3.15Å; G503-S506 PolarHBondContact O-N 3.13Å; G503-S506 VanDerWaalsContact O-N 3.15Å; G503-S506 PolarHBondContact O-OG 3.32Å; G503-L507 PolarHBondContact O-N 3.24Å; G503-L507 VanDerWaalsContact O-N 3.09Å |
| 504 | Q | 90.2 | Very high | 86.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.2 | -169.2 | 179.5 | 10.2 | 0 | 0 | 112.4 | F494 H496 W498 H500 S501 S506 L507 L508 L560 | F494-Q504 PolarHBondContact O-NE2 3.16Å; H496-Q504 PolarHBondContact O-NE2 2.97Å; H496-Q504 PolarHBondContact O-OE1 3.41Å; W498-Q504 HydrophobicContact CB-CB 3.89Å; W498-Q504 HydrophobicContact CB-CG 4.36Å; W498-Q504 HydrophobicContact CD2-CB 3.76Å; W498-Q504 HydrophobicContact CD2-CG 4.08Å; W498-Q504 HydrophobicContact CE3-CB 4.01Å; W498-Q504 HydrophobicContact CG-CB 3.73Å; W498-Q504 HydrophobicContact CG-CG 3.88Å; H500-Q504 PolarHBondContact O-N 3.13Å; S501-Q504 PolarHBondContact O-N 3.18Å; Q504-S506 VanDerWaalsContact C-N 3.32Å; Q504-S506 PolarHBondContact O-N 3.17Å; Q504-L507 WeakPolarHBondContact O-CB 3.41Å; Q504-L507 PolarHBondContact O-N 3.21Å; Q504-L508 HydrophobicContact CG-CD1 4.21Å; Q504-L508 HydrophobicContact CG-CG 4.35Å; Q504-L508 WeakPolarHBondContact O-CG 3.42Å; Q504-L508 PolarHBondContact O-N 3.42Å; Q504-L560 HydrophobicContact CB-CD1 4.4Å; Q504-L560 HydrophobicContact CB-CD2 4.2Å; Q504-L560 HydrophobicContact CG-CD1 4.23Å; Q504-L560 HydrophobicContact CG-CD2 4.34Å |
| 505 | L | 89.7 | Confident | 86.3 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.8 | -178 | 62.6 | 0 | 0 | 0 | 111.2 | S501 I502 G503 L507 L508 Q509 L557 L560 L565 D568 V569 | S501-L505 WeakPolarHBondContact O-CB 3.38Å; S501-L505 PolarHBondContact O-N 3.27Å; I502-L505 PolarHBondContact O-N 2.89Å; G503-L505 PolarHBondContact O-N 3.15Å; L505-L507 VanDerWaalsContact C-N 3.31Å; L505-L507 PolarHBondContact O-N 3.42Å; L505-L508 PolarHBondContact O-N 3.12Å; L505-Q509 HydrophobicContact CD1-CG 4.12Å; L505-Q509 HydrophobicContact CG-CG 4.3Å; L505-Q509 VanDerWaalsContact O-CB 3.29Å; L505-Q509 WeakPolarHBondContact O-CB 3.37Å; L505-Q509 VanDerWaalsContact O-CG 3.29Å; L505-Q509 WeakPolarHBondContact O-CG 3.44Å; L505-Q509 PolarHBondContact O-N 3.14Å; L505-L557 HydrophobicContact CD1-CD2 3.99Å; L505-L560 HydrophobicContact CB-CD1 4.15Å; L505-L560 HydrophobicContact CD1-CD1 4.26Å; L505-L565 HydrophobicContact CB-CD1 3.99Å; L505-L565 HydrophobicContact CD2-CB 4.27Å; L505-L565 HydrophobicContact CD2-CD1 3.88Å; L505-L565 HydrophobicContact CD2-CG 4.47Å; L505-D568 HydrophobicContact CD2-CB 3.98Å; L505-V569 HydrophobicContact CD1-CG2 4.08Å |
| 506 | S | 88.8 | Confident | 86 | Confident | 6.5 Ų | 6.5 | 43 Ų | 43 | 5% | 0.045 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 176 | 81.1 | 0 | 0 | 0 | 0 | 111.5 | I466 I502 G503 Q504 Q509 Y510 | I466-S506 PolarHBondContact N-OG 3.22Å; I502-S506 PolarHBondContact O-N 3.37Å; G503-S506 PolarHBondContact O-N 3.13Å; G503-S506 VanDerWaalsContact O-N 3.15Å; G503-S506 PolarHBondContact O-OG 3.32Å; Q504-S506 VanDerWaalsContact C-N 3.32Å; Q504-S506 PolarHBondContact O-N 3.17Å; S506-Q509 PolarHBondContact O-N 2.88Å; S506-Y510 VanDerWaalsContact O-CD2 3.29Å; S506-Y510 WeakPolarHBondContact O-CD2 3.35Å; S506-Y510 PolarHBondContact O-N 3Å; S506-Y510 VanDerWaalsContact O-N 3.17Å |
| 507 | L | 89.4 | Confident | 85.7 | Confident | 0.5 Ų | 0.5 | 38.9 Ų | 38.9 | 0% | 0.003 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -52.5 | 176.3 | 177.5 | 62 | 0 | 0 | 0 | 111.8 | F464 I466 F472 F475 F494 W498 G503 Q504 L505 Q509 Y510 C511 | F464-L507 HydrophobicContact CE1-CB 4.24Å; I466-L507 HydrophobicContact CD1-CB 4.02Å; I466-L507 HydrophobicContact CD1-CD1 3.48Å; I466-L507 HydrophobicContact CD1-CG 4.36Å; F472-L507 HydrophobicContact CD2-CD1 4.46Å; F472-L507 HydrophobicContact CE2-CD1 3.94Å; F475-L507 HydrophobicContact CD1-CD1 3.89Å; F475-L507 HydrophobicContact CE1-CD1 3.45Å; F475-L507 VanDerWaalsContact CE1-CD1 3.45Å; F475-L507 HydrophobicContact CE1-CD2 4.38Å; F475-L507 HydrophobicContact CZ-CD1 3.92Å; F475-L507 HydrophobicContact CZ-CD2 4.24Å; F494-L507 HydrophobicContact CD1-CD2 3.9Å; F494-L507 HydrophobicContact CD1-CG 4.39Å; F494-L507 HydrophobicContact CE1-CD1 4.34Å; F494-L507 HydrophobicContact CE1-CD2 4.11Å; F494-L507 HydrophobicContact CE1-CG 4.49Å; W498-L507 HydrophobicContact CH2-CD2 4.16Å; W498-L507 HydrophobicContact CZ2-CD2 3.93Å; G503-L507 PolarHBondContact O-N 3.24Å; G503-L507 VanDerWaalsContact O-N 3.09Å; Q504-L507 WeakPolarHBondContact O-CB 3.41Å; Q504-L507 PolarHBondContact O-N 3.21Å; L505-L507 VanDerWaalsContact C-N 3.31Å; L505-L507 PolarHBondContact O-N 3.42Å; L507-Q509 VanDerWaalsContact C-N 3.28Å; L507-Q509 PolarHBondContact O-N 3.22Å; L507-Y510 PolarHBondContact O-N 3.23Å; L507-C511 PolarHBondContact O-N 3.1Å; L507-C511 PolarHBondContact O-SG 3.34Å; L507-C511 VanDerWaalsContact O-SG 3.42Å |
| 508 | L | 89.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -32.4 | -178 | -66.5 | -179.9 | 0 | 0 | 0 | 112.9 | Q504 L505 Y510 C511 S512 L520 Y553 A556 L557 L560 | Q504-L508 HydrophobicContact CG-CD1 4.21Å; Q504-L508 HydrophobicContact CG-CG 4.35Å; Q504-L508 WeakPolarHBondContact O-CG 3.42Å; Q504-L508 PolarHBondContact O-N 3.42Å; L505-L508 PolarHBondContact O-N 3.12Å; L508-Y510 VanDerWaalsContact C-N 3.34Å; L508-Y510 PolarHBondContact O-N 3.15Å; L508-C511 WeakPolarHBondContact O-CB 3.28Å; L508-C511 PolarHBondContact O-N 3.06Å; L508-S512 PolarHBondContact O-N 2.94Å; L508-S512 VanDerWaalsContact O-N 3.09Å; L508-L520 HydrophobicContact CD2-CD1 4.3Å; L508-Y553 HydrophobicContact CB-CE2 3.94Å; L508-Y553 HydrophobicContact CD2-CD2 4.03Å; L508-Y553 HydrophobicContact CD2-CE2 3.95Å; L508-Y553 HydrophobicContact CG-CE2 4.41Å; L508-Y553 WeakPolarHBondContact O-CE2 3.49Å; L508-Y553 PolarHBondContact O-OH 3.4Å; L508-A556 HydrophobicContact CD1-CB 3.94Å; L508-L557 HydrophobicContact CB-CD2 4.13Å; L508-L557 HydrophobicContact CD1-CD2 4.06Å; L508-L557 HydrophobicContact CD1-CG 4.5Å; L508-L560 HydrophobicContact CD1-CD1 3.85Å |
| 509 | Q | 88.7 | Confident | 85 | Confident | 57 Ų | 57 | 38.1 Ų | 38.1 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65 | -45.9 | 172.5 | -78.3 | 177.6 | -12.1 | 0 | 0 | 111.6 | L505 S506 L507 C511 S512 I513 L572 | L505-Q509 HydrophobicContact CD1-CG 4.12Å; L505-Q509 HydrophobicContact CG-CG 4.3Å; L505-Q509 VanDerWaalsContact O-CB 3.29Å; L505-Q509 WeakPolarHBondContact O-CB 3.37Å; L505-Q509 VanDerWaalsContact O-CG 3.29Å; L505-Q509 WeakPolarHBondContact O-CG 3.44Å; L505-Q509 PolarHBondContact O-N 3.14Å; S506-Q509 PolarHBondContact O-N 2.88Å; L507-Q509 VanDerWaalsContact C-N 3.28Å; L507-Q509 PolarHBondContact O-N 3.22Å; Q509-C511 VanDerWaalsContact C-N 3.35Å; Q509-C511 PolarHBondContact O-N 2.92Å; Q509-S512 WeakPolarHBondContact O-CB 3.46Å; Q509-S512 PolarHBondContact O-N 3.42Å; Q509-S512 VanDerWaalsContact O-N 3.13Å; Q509-I513 VanDerWaalsContact O-CG1 3.26Å; Q509-I513 WeakPolarHBondContact O-CG1 3.37Å; Q509-I513 PolarHBondContact O-N 3.26Å; Q509-L572 HydrophobicContact CG-CD1 3.8Å |
| 510 | Y | 87.2 | Confident | 84.8 | Confident | 44.5 Ų | 44.5 | 31.7 Ų | 31.7 | 18% | 0.175 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.9 | -31.1 | 179.6 | -83.2 | -106.1 | 0 | 0 | 0 | 112.8 | I466 T467 F472 S506 L507 L508 S512 I513 Y514 | I466-Y510 HydrophobicContact CB-CD2 4.33Å; I466-Y510 HydrophobicContact CB-CG 4.45Å; I466-Y510 HydrophobicContact CG2-CD1 3.58Å; I466-Y510 HydrophobicContact CG2-CD2 3.73Å; I466-Y510 HydrophobicContact CG2-CE1 3.95Å; I466-Y510 HydrophobicContact CG2-CE2 4.06Å; I466-Y510 HydrophobicContact CG2-CG 3.46Å; I466-Y510 VanDerWaalsContact CG2-CG 3.46Å; I466-Y510 VanDerWaalsContact O-CE2 3.3Å; I466-Y510 WeakPolarHBondContact O-CE2 3.46Å; T467-Y510 VanDerWaalsContact C-OH 3.24Å; T467-Y510 PolarHBondContact O-OH 2.97Å; F472-Y510 HydrophobicContact CB-CD1 4.25Å; F472-Y510 WeakPolarHBondContact CE1-O 3.48Å; F472-Y510 HydrophobicContact CG-CD1 4.48Å; S506-Y510 VanDerWaalsContact O-CD2 3.29Å; S506-Y510 WeakPolarHBondContact O-CD2 3.35Å; S506-Y510 PolarHBondContact O-N 3Å; S506-Y510 VanDerWaalsContact O-N 3.17Å; L507-Y510 PolarHBondContact O-N 3.23Å; L508-Y510 VanDerWaalsContact C-N 3.34Å; L508-Y510 PolarHBondContact O-N 3.15Å; Y510-S512 VanDerWaalsContact C-N 3.26Å; Y510-S512 PolarHBondContact O-N 3.11Å; Y510-I513 PolarHBondContact O-N 3.14Å; Y510-Y514 AromaticContact CD1-CD2 3.74Å; Y510-Y514 HydrophobicContact CD1-CD2 3.74Å; Y510-Y514 AromaticContact CD1-CE2 3.73Å; Y510-Y514 HydrophobicContact CD1-CE2 3.73Å; Y510-Y514 HydrophobicContact CE1-CD2 4.35Å; Y510-Y514 AromaticContact CE1-CE2 3.86Å; Y510-Y514 HydrophobicContact CE1-CE2 3.86Å; Y510-Y514 PolarHBondContact O-N 3.11Å |
| 511 | C | 85.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.7 | -34.2 | 167.3 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | F472 L507 L508 Q509 L520 | F472-C511 HydrophobicContact CZ-CB 4.33Å; L507-C511 PolarHBondContact O-N 3.1Å; L507-C511 PolarHBondContact O-SG 3.34Å; L507-C511 VanDerWaalsContact O-SG 3.42Å; L508-C511 WeakPolarHBondContact O-CB 3.28Å; L508-C511 PolarHBondContact O-N 3.06Å; Q509-C511 VanDerWaalsContact C-N 3.35Å; Q509-C511 PolarHBondContact O-N 2.92Å; C511-L520 HydrophobicContact CB-CD1 3.78Å; C511-L520 HydrophobicContact CB-CG 4.1Å |
| 512 | S | 83.3 | Confident | 83.5 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -82.9 | -26.4 | 178.3 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | L508 Q509 Y510 L547 Y553 | L508-S512 PolarHBondContact O-N 2.94Å; L508-S512 VanDerWaalsContact O-N 3.09Å; Q509-S512 WeakPolarHBondContact O-CB 3.46Å; Q509-S512 PolarHBondContact O-N 3.42Å; Q509-S512 VanDerWaalsContact O-N 3.13Å; Y510-S512 VanDerWaalsContact C-N 3.26Å; Y510-S512 PolarHBondContact O-N 3.11Å; S512-L547 VanDerWaalsContact CA-CD2 3.46Å; S512-Y553 WeakPolarHBondContact CB-OH 3.37Å |
| 513 | I | 83 | Confident | 82.8 | Confident | 100 Ų | 100 | 31.9 Ų | 31.9 | 51% | 0.513 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -87.5 | -33.4 | -179.5 | -63.3 | 163.8 | 0 | 0 | 0 | 111.3 | Q509 Y510 P515 | Q509-I513 VanDerWaalsContact O-CG1 3.26Å; Q509-I513 WeakPolarHBondContact O-CG1 3.37Å; Q509-I513 PolarHBondContact O-N 3.26Å; Y510-I513 PolarHBondContact O-N 3.14Å; I513-P515 VanDerWaalsContact C-CD 3.48Å |
| 514 | Y | 83.3 | Confident | 82.3 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | trans | -129.3 | 64.7 | -177 | -56.5 | -64.4 | 0 | 0 | 0 | 112.3 | R469 F472 Y510 D516 I517 | R469-Y514 HydrophobicContact CB-CD2 4.39Å; R469-Y514 HydrophobicContact CB-CE1 4.41Å; R469-Y514 HydrophobicContact CB-CE2 3.97Å; R469-Y514 HydrophobicContact CG-CD1 4.13Å; R469-Y514 HydrophobicContact CG-CD2 4.25Å; R469-Y514 HydrophobicContact CG-CE1 4.13Å; R469-Y514 HydrophobicContact CG-CE2 4.23Å; R469-Y514 HydrophobicContact CG-CG 4.18Å; R469-Y514 VanDerWaalsContact NH1-CD1 3.27Å; F472-Y514 HydrophobicContact CD1-CD2 4.42Å; Y510-Y514 AromaticContact CD1-CD2 3.74Å; Y510-Y514 HydrophobicContact CD1-CD2 3.74Å; Y510-Y514 AromaticContact CD1-CE2 3.73Å; Y510-Y514 HydrophobicContact CD1-CE2 3.73Å; Y510-Y514 HydrophobicContact CE1-CD2 4.35Å; Y510-Y514 AromaticContact CE1-CE2 3.86Å; Y510-Y514 HydrophobicContact CE1-CE2 3.86Å; Y510-Y514 PolarHBondContact O-N 3.11Å; Y514-D516 WeakPolarHBondContact CA-OD1 3.37Å; Y514-D516 PolarHBondContact O-N 3.09Å; Y514-D516 VanDerWaalsContact O-N 3.15Å; Y514-I517 HydrophobicContact CG-CD1 4.38Å; Y514-I517 PolarHBondContact O-N 3.23Å; Y514-I517 VanDerWaalsContact O-N 3.09Å | ||
| 515 | P | 79.8 | Confident | 81.7 | Confident | 21 Ų | 21 | 38.9 Ų | 38.9 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.7 | 178.8 | 27.8 | -35.7 | 0 | 0 | 0 | 113.1 | I513 I517 I518 C519 I543 | I513-P515 VanDerWaalsContact C-CD 3.48Å; P515-I517 PolarHBondContact O-N 3.37Å; P515-I518 CarbonylContact O-C 3.51Å; P515-C519 WeakPolarHBondContact O-CA 3.2Å; P515-C519 WeakPolarHBondContact O-CB 3.25Å; P515-C519 PolarHBondContact O-N 3.23Å; P515-I543 HydrophobicContact CB-CG2 3.89Å; P515-I543 HydrophobicContact CG-CG2 3.97Å |
| 516 | D | 77.8 | Confident | 81.3 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.9 | 173.1 | 65.8 | -58.2 | 0 | 0 | 0 | 113.5 | R469 Y514 | R469-D516 IonicContact CZ-OD1 3.8Å; R469-D516 IonicContact CZ-OD2 2.78Å; R469-D516 IonicContact NE-OD2 3.57Å; R469-D516 IonicContact NH1-OD1 3.7Å; R469-D516 IonicContact NH1-OD2 3.13Å; R469-D516 IonicContact NH2-OD1 3.5Å; R469-D516 PolarHBondContact NH2-OD1 3.08Å; R469-D516 IonicContact NH2-OD2 3.19Å; R469-D516 PolarHBondContact NH2-OD2 3.29Å; Y514-D516 WeakPolarHBondContact CA-OD1 3.37Å; Y514-D516 PolarHBondContact O-N 3.09Å; Y514-D516 VanDerWaalsContact O-N 3.15Å |
| 517 | I | 78.7 | Confident | 81 | Confident | 10.5 Ų | 10.5 | 45.8 Ų | 45.8 | 5% | 0.054 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -61.9 | 177.4 | -61.5 | -179.7 | 0 | 0 | 0 | 109.5 | R469 F472 H473 K476 Y514 P515 | R469-I517 HydrophobicContact CG-CD1 3.47Å; R469-I517 VanDerWaalsContact CG-CD1 3.43Å; F472-I517 HydrophobicContact CD1-CB 3.67Å; F472-I517 HydrophobicContact CD1-CD1 3.91Å; F472-I517 HydrophobicContact CD1-CG1 4.33Å; F472-I517 HydrophobicContact CD1-CG2 3.59Å; F472-I517 HydrophobicContact CE1-CB 3.75Å; F472-I517 HydrophobicContact CE1-CG2 3.88Å; F472-I517 HydrophobicContact CG-CG2 4.18Å; H473-I517 HydrophobicContact CB-CD1 4.28Å; K476-I517 HydrophobicContact CB-CG2 3.92Å; K476-I517 HydrophobicContact CD-CG2 3.96Å; K476-I517 WeakPolarHBondContact CD-O 3.42Å; K476-I517 WeakPolarHBondContact CE-O 3.2Å; K476-I517 HydrophobicContact CG-CG2 4.45Å; K476-I517 PolarHBondContact NZ-O 2.81Å; Y514-I517 HydrophobicContact CG-CD1 4.38Å; Y514-I517 PolarHBondContact O-N 3.23Å; Y514-I517 VanDerWaalsContact O-N 3.09Å; P515-I517 PolarHBondContact O-N 3.37Å |
| 518 | I | 80 | Confident | 80.6 | Confident | 5.5 Ų | 5.5 | 46.4 Ų | 46.4 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | trans | -128.1 | 108.2 | 174.9 | -65.1 | 174.2 | 0 | 0 | 0 | 107.6 | F472 F475 K476 F494 P515 L520 W523 | F472-I518 HydrophobicContact CD2-CD1 4.49Å; F472-I518 HydrophobicContact CE1-CB 4.25Å; F472-I518 HydrophobicContact CE1-CG1 4.25Å; F472-I518 HydrophobicContact CE2-CB 4.45Å; F472-I518 HydrophobicContact CE2-CD1 3.81Å; F472-I518 HydrophobicContact CE2-CG1 4.19Å; F472-I518 HydrophobicContact CZ-CB 3.72Å; F472-I518 HydrophobicContact CZ-CD1 3.95Å; F472-I518 HydrophobicContact CZ-CG1 4.04Å; F472-I518 HydrophobicContact CZ-CG2 4.47Å; F475-I518 HydrophobicContact CD1-CD1 3.71Å; F475-I518 HydrophobicContact CE1-CD1 4.01Å; K476-I518 HydrophobicContact CB-CD1 4.1Å; K476-I518 HydrophobicContact CB-CG1 4.06Å; K476-I518 HydrophobicContact CG-CG1 4.14Å; F494-I518 HydrophobicContact CZ-CG2 4.43Å; P515-I518 CarbonylContact O-C 3.51Å; I518-L520 HydrophobicContact CG2-CD2 4.16Å; I518-W523 HydrophobicContact CG2-CH2 3.88Å; I518-W523 HydrophobicContact CG2-CZ3 3.76Å | ||
| 519 | C | 78.1 | Confident | 80 | Confident | 27.5 Ų | 27.5 | 49.9 Ų | 49.9 | 19% | 0.186 | 26% | 0.26 | C | S | . | . | trans | -89.1 | 112.2 | 172.4 | -165.7 | 0 | 0 | 0 | 0 | 108.6 | P515 D521 D522 W523 | P515-C519 WeakPolarHBondContact O-CA 3.2Å; P515-C519 WeakPolarHBondContact O-CB 3.25Å; P515-C519 PolarHBondContact O-N 3.23Å; C519-D521 PolarHBondContact O-N 3.14Å; C519-D522 WeakPolarHBondContact O-CB 3.26Å; C519-D522 PolarHBondContact O-N 3.27Å; C519-W523 VanDerWaalsContact O-CD1 3.26Å; C519-W523 WeakPolarHBondContact O-CZ3 3.41Å | ||
| 520 | L | 80 | Confident | 79.4 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -68.2 | -8.2 | 178.7 | -65.8 | 177.6 | 0 | 0 | 0 | 113.1 | F494 Y495 L508 C511 I518 D522 W523 L547 Y553 | F494-L520 HydrophobicContact CB-CD2 4.29Å; F494-L520 HydrophobicContact CD1-CD2 3.88Å; F494-L520 HydrophobicContact CD2-CD2 3.91Å; F494-L520 HydrophobicContact CE1-CD2 4.14Å; F494-L520 HydrophobicContact CE2-CD2 4.17Å; F494-L520 HydrophobicContact CG-CD2 3.76Å; F494-L520 HydrophobicContact CZ-CD2 4.28Å; Y495-L520 HydrophobicContact CE1-CD1 4.44Å; L508-L520 HydrophobicContact CD2-CD1 4.3Å; C511-L520 HydrophobicContact CB-CD1 3.78Å; C511-L520 HydrophobicContact CB-CG 4.1Å; I518-L520 HydrophobicContact CG2-CD2 4.16Å; L520-D522 VanDerWaalsContact C-N 3.32Å; L520-D522 PolarHBondContact O-N 2.92Å; L520-W523 HydrophobicContact CD2-CE3 4.32Å; L520-W523 HydrophobicContact CD2-CZ3 4.46Å; L520-W523 PolarHBondContact O-N 3.44Å; L520-L547 HydrophobicContact CB-CD1 3.89Å; L520-L547 HydrophobicContact CD1-CD1 4.01Å; L520-L547 HydrophobicContact CG-CD1 4.4Å; L520-Y553 HydrophobicContact CD1-CD2 3.74Å; L520-Y553 HydrophobicContact CD1-CE2 4.14Å |
| 521 | D | 73.4 | Confident | 78.7 | Confident | 48.5 Ų | 48.5 | 50 Ų | 50 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -72.6 | -23.7 | 173.1 | -107.3 | 10 | 0 | 0 | 0 | 112.7 | C519 W523 H525 Q546 | C519-D521 PolarHBondContact O-N 3.14Å; D521-W523 PolarHBondContact O-N 2.93Å; D521-H525 PolarHBondContact O-CE1 3.36Å; D521-H525 PolarHBondContact O-ND1 2.65Å; D521-H525 IonicContact OD1-CE1 2.99Å; D521-H525 PolarHBondContact OD1-CE1 3Å; D521-H525 IonicContact OD1-NE2 3.71Å; D521-H525 PolarHBondContact OD1-NE2 3.35Å; D521-Q546 HydrophobicContact CB-CG 4.1Å; D521-Q546 WeakPolarHBondContact OD1-CG 3.33Å; D521-Q546 PolarHBondContact OD1-NE2 3.45Å; D521-Q546 WeakPolarHBondContact OD2-CB 3.44Å; D521-Q546 WeakPolarHBondContact OD2-CG 3.28Å |
| 522 | D | 72.7 | Confident | 78.1 | Confident | 121 Ų | 121 | 54.9 Ų | 54.9 | 65% | 0.647 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -67.6 | -16.2 | 176.2 | -68.2 | -35 | 0 | 0 | 0 | 112.6 | F487 C519 L520 | F487-D522 WeakPolarHBondContact CE1-O 3.06Å; C519-D522 WeakPolarHBondContact O-CB 3.26Å; C519-D522 PolarHBondContact O-N 3.27Å; L520-D522 VanDerWaalsContact C-N 3.32Å; L520-D522 PolarHBondContact O-N 2.92Å |
| 523 | W | 74.1 | Confident | 77.8 | Confident | 22.5 Ų | 22.5 | 54.6 Ų | 54.6 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -99.3 | 151.3 | -179.6 | -66.6 | -9.5 | 0 | 0 | 0 | 110.8 | V479 L480 I489 A491 F494 I518 C519 L520 D521 H525 | V479-W523 HydrophobicContact CG1-CH2 4.22Å; V479-W523 HydrophobicContact CG1-CZ2 4.29Å; L480-W523 HydrophobicContact CD2-CZ2 4.45Å; I489-W523 HydrophobicContact CB-CH2 4.18Å; I489-W523 HydrophobicContact CB-CZ3 4.01Å; I489-W523 HydrophobicContact CG2-CZ3 4.4Å; I489-W523 WeakPolarHBondContact O-CZ3 3.46Å; A491-W523 HydrophobicContact CB-CB 3.94Å; A491-W523 HydrophobicContact CB-CG 4.42Å; F494-W523 HydrophobicContact CE2-CD2 4.27Å; F494-W523 AromaticContact CE2-CE2 3.77Å; F494-W523 HydrophobicContact CE2-CH2 4.39Å; F494-W523 AromaticContact CE2-CZ2 3.84Å; F494-W523 HydrophobicContact CE2-CZ2 4.02Å; F494-W523 HydrophobicContact CZ-CH2 4.35Å; F494-W523 HydrophobicContact CZ-CZ2 4.13Å; I518-W523 HydrophobicContact CG2-CH2 3.88Å; I518-W523 HydrophobicContact CG2-CZ3 3.76Å; C519-W523 VanDerWaalsContact O-CD1 3.26Å; C519-W523 WeakPolarHBondContact O-CZ3 3.41Å; L520-W523 HydrophobicContact CD2-CE3 4.32Å; L520-W523 HydrophobicContact CD2-CZ3 4.46Å; L520-W523 PolarHBondContact O-N 3.44Å; D521-W523 PolarHBondContact O-N 2.93Å; W523-H525 PolarHBondContact O-N 3.04Å; W523-H525 VanDerWaalsContact O-N 3.14Å; W523-H525 PolarHBondContact O-ND1 3.18Å |
| 524 | P | 75.8 | Confident | 77.3 | Confident | 100.5 Ų | 100.5 | 56.8 Ų | 56.8 | 65% | 0.653 | 30% | 0.3 | S | S | * | . | trans | -60.1 | 122.6 | 175.8 | 24.9 | -33.9 | 0 | 0 | 0 | 110.7 | A491 | A491-P524 HydrophobicContact CB-CG 3.95Å; A491-P524 VanDerWaalsContact CB-O 3.25Å; A491-P524 WeakPolarHBondContact CB-O 3.25Å | ||
| 525 | H | 77.7 | Confident | 76.9 | Confident | 52.5 Ų | 52.5 | 56.4 Ų | 56.4 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | trans | -146.3 | 161.3 | -177.1 | 63.7 | -89.1 | 0 | 0 | 0 | 110.7 | D521 W523 C527 N550 | D521-H525 PolarHBondContact O-CE1 3.36Å; D521-H525 PolarHBondContact O-ND1 2.65Å; D521-H525 IonicContact OD1-CE1 2.99Å; D521-H525 PolarHBondContact OD1-CE1 3Å; D521-H525 IonicContact OD1-NE2 3.71Å; D521-H525 PolarHBondContact OD1-NE2 3.35Å; W523-H525 PolarHBondContact O-N 3.04Å; W523-H525 VanDerWaalsContact O-N 3.14Å; W523-H525 PolarHBondContact O-ND1 3.18Å; H525-C527 PolarHBondContact CD2-SG 3.12Å; H525-C527 PolarHBondContact NE2-SG 3.35Å; H525-N550 WeakPolarHBondContact CB-ND2 3.34Å | ||
| 526 | R | 80.4 | Confident | 76.3 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | trans | -92.1 | 129.6 | 172.8 | -61.6 | 179.8 | -68.7 | 169.1 | 1.8 | 109.9 | N550 I551 D552 L630 | R526-N550 CarbonylContact O-C 3.56Å; R526-N550 WeakPolarHBondContact O-CA 3.39Å; R526-I551 HydrophobicContact CB-CB 4.24Å; R526-I551 HydrophobicContact CB-CD1 4.1Å; R526-I551 HydrophobicContact CB-CG1 4.46Å; R526-I551 PolarHBondContact O-N 3.19Å; R526-D552 WeakPolarHBondContact CB-OD2 3.39Å; R526-D552 WeakPolarHBondContact CG-OD2 3.4Å; R526-D552 IonicContact CZ-OD1 3.52Å; R526-D552 PolarHBondContact N-OD2 3.18Å; R526-D552 IonicContact NE-OD1 2.77Å; R526-D552 PolarHBondContact NE-OD1 2.97Å; R526-D552 IonicContact NE-OD2 3.08Å; R526-D552 PolarHBondContact NE-OD2 3.39Å; R526-D552 IonicContact NH2-OD1 3.86Å; R526-D552 PolarHBondContact NH2-OD1 3.1Å; R526-L630 VanDerWaalsContact NH1-CD2 3.29Å | ||
| 527 | C | 82.9 | Confident | 75.8 | Confident | 56.5 Ų | 56.5 | 59.2 Ų | 59.2 | 38% | 0.382 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -120.3 | 142.7 | -177.9 | -112.4 | 0 | 0 | 0 | 0 | 111.1 | H525 K549 | H525-C527 PolarHBondContact CD2-SG 3.12Å; H525-C527 PolarHBondContact NE2-SG 3.35Å; C527-K549 WeakPolarHBondContact CA-O 3.43Å; C527-K549 WeakPolarHBondContact SG-CB 3.48Å |
| 528 | V | 80.2 | Confident | 75.1 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | trans | -77.5 | 139.5 | 174.9 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | I530 K549 I551 A586 T587 E590 | V528-I530 HydrophobicContact CG1-CG1 4.47Å; V528-I530 PolarHBondContact O-N 3.12Å; V528-I530 VanDerWaalsContact O-N 3.11Å; V528-K549 PolarHBondContact N-O 3.13Å; V528-K549 VanDerWaalsContact N-O 3.14Å; V528-I551 HydrophobicContact CG2-CD1 3.68Å; V528-I551 HydrophobicContact CG2-CG1 3.57Å; V528-A586 HydrophobicContact CG1-CB 3.9Å; V528-T587 HydrophobicContact CB-CG2 4.13Å; V528-T587 HydrophobicContact CG2-CG2 3.71Å; V528-E590 HydrophobicContact CG2-CB 4.19Å; V528-E590 HydrophobicContact CG2-CG 4.07Å | ||
| 529 | D | 76.2 | Confident | 74.2 | Confident | 73.5 Ų | 73.5 | 71.5 Ų | 71.5 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | trans | -76.4 | 101.5 | 175.3 | -179.9 | 16.6 | 0 | 0 | 0 | 111.8 | S531 K627 | D529-S531 VanDerWaalsContact C-N 3.34Å; D529-S531 VanDerWaalsContact CG-OG 3.27Å; D529-S531 WeakPolarHBondContact OD1-CB 3.39Å; D529-S531 PolarHBondContact OD1-N 2.97Å; D529-S531 PolarHBondContact OD1-OG 3.46Å; D529-S531 PolarHBondContact OD2-OG 2.79Å; D529-K627 WeakPolarHBondContact OD2-CD 3.13Å; D529-K627 WeakPolarHBondContact OD2-CE 3.5Å; D529-K627 IonicContact OD2-NZ 3.28Å; D529-K627 PolarHBondContact OD2-NZ 3.29Å | ||
| 530 | I | 77.7 | Confident | 73.4 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 12% | 0.118 | 41% | 0.408 | C | S | . | . | trans | -90.4 | -0.7 | 180 | -67.5 | 173.9 | 0 | 0 | 0 | 112 | V528 M532 L533 I535 K549 I583 | V528-I530 HydrophobicContact CG1-CG1 4.47Å; V528-I530 PolarHBondContact O-N 3.12Å; V528-I530 VanDerWaalsContact O-N 3.11Å; I530-M532 PolarHBondContact O-N 3.28Å; I530-L533 HydrophobicContact CB-CD1 4.47Å; I530-L533 HydrophobicContact CG1-CD1 4.36Å; I530-L533 HydrophobicContact CG2-CB 4.16Å; I530-L533 HydrophobicContact CG2-CD1 4.15Å; I530-L533 HydrophobicContact CG2-CG 4.46Å; I530-L533 WeakPolarHBondContact O-CB 3.41Å; I530-L533 PolarHBondContact O-N 3.1Å; I530-I535 HydrophobicContact CG2-CD1 3.91Å; I530-I535 HydrophobicContact CG2-CG1 4.37Å; I530-K549 HydrophobicContact CD1-CB 4.48Å; I530-K549 HydrophobicContact CD1-CD 3.63Å; I530-K549 VanDerWaalsContact CD1-CD 3.44Å; I530-K549 HydrophobicContact CD1-CG 3.63Å; I530-I583 HydrophobicContact CD1-CG1 4.21Å; I530-I583 HydrophobicContact CD1-CG2 3.97Å | ||
| 531 | S | 72 | Confident | 72.9 | Confident | 80.5 Ų | 80.5 | 79.7 Ų | 79.7 | 56% | 0.563 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.3 | -173.3 | 62 | 0 | 0 | 0 | 0 | 115.5 | D529 | D529-S531 VanDerWaalsContact C-N 3.34Å; D529-S531 VanDerWaalsContact CG-OG 3.27Å; D529-S531 WeakPolarHBondContact OD1-CB 3.39Å; D529-S531 PolarHBondContact OD1-N 2.97Å; D529-S531 PolarHBondContact OD1-OG 3.46Å; D529-S531 PolarHBondContact OD2-OG 2.79Å |
| 532 | M | 73 | Confident | 72.7 | Confident | 106 Ų | 106 | 81.9 Ų | 81.9 | 52% | 0.522 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.9 | 177.6 | -55 | -71.9 | 98.7 | 0 | 0 | 113 | I530 I617 | I530-M532 PolarHBondContact O-N 3.28Å; M532-I617 HydrophobicContact CB-CD1 4.45Å; M532-I617 HydrophobicContact CB-CG2 3.93Å; M532-I617 WeakPolarHBondContact O-CD1 3.44Å |
| 533 | L | 77 | Confident | 72.6 | Confident | 19.5 Ų | 19.5 | 80.5 Ų | 80.5 | 10% | 0.102 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -87.2 | 134.7 | -175.9 | -56.3 | 174.6 | 0 | 0 | 0 | 110.5 | I530 I535 A586 N614 I617 L618 | I530-L533 HydrophobicContact CB-CD1 4.47Å; I530-L533 HydrophobicContact CG1-CD1 4.36Å; I530-L533 HydrophobicContact CG2-CB 4.16Å; I530-L533 HydrophobicContact CG2-CD1 4.15Å; I530-L533 HydrophobicContact CG2-CG 4.46Å; I530-L533 WeakPolarHBondContact O-CB 3.41Å; I530-L533 PolarHBondContact O-N 3.1Å; L533-I535 HydrophobicContact CB-CD1 3.86Å; L533-I535 HydrophobicContact CB-CG1 3.82Å; L533-I535 HydrophobicContact CD1-CD1 4.13Å; L533-I535 PolarHBondContact O-N 3.11Å; L533-I535 VanDerWaalsContact O-N 3.11Å; L533-A586 HydrophobicContact CD1-CB 4.23Å; L533-N614 HydrophobicContact CD2-CB 4.04Å; L533-I617 HydrophobicContact CD2-CB 4.12Å; L533-I617 HydrophobicContact CD2-CG2 3.86Å; L533-L618 HydrophobicContact CD1-CD2 4.08Å; L533-L618 HydrophobicContact CD2-CD1 4.44Å; L533-L618 HydrophobicContact CD2-CD2 3.93Å; L533-L618 HydrophobicContact CD2-CG 3.86Å |
| 534 | Q | 73.4 | Confident | 72.6 | Confident | 146.5 Ų | 146.5 | 82.5 Ų | 82.5 | 69% | 0.685 | 43% | 0.434 | S | S | * | . | trans | -81 | 90.2 | 173.8 | -64.8 | -174.5 | -2.6 | 0 | 0 | 109.1 | I613 N614 | Q534-I613 HydrophobicContact CB-CG2 3.99Å; Q534-I613 HydrophobicContact CG-CG2 4.48Å; Q534-N614 PolarHBondContact N-OD1 3.32Å; Q534-N614 PolarHBondContact O-ND2 3.17Å; Q534-N614 VanDerWaalsContact O-ND2 3.13Å | ||
| 535 | I | 74.4 | Confident | 72.7 | Confident | 53 Ų | 53 | 77.7 Ų | 77.7 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | trans | -132.2 | 136 | 177.8 | -38.2 | 176.4 | 0 | 0 | 0 | 109.7 | I530 L533 F537 D582 I583 | I530-I535 HydrophobicContact CG2-CD1 3.91Å; I530-I535 HydrophobicContact CG2-CG1 4.37Å; L533-I535 HydrophobicContact CB-CD1 3.86Å; L533-I535 HydrophobicContact CB-CG1 3.82Å; L533-I535 HydrophobicContact CD1-CD1 4.13Å; L533-I535 PolarHBondContact O-N 3.11Å; L533-I535 VanDerWaalsContact O-N 3.11Å; I535-F537 HydrophobicContact CB-CE2 4.05Å; I535-F537 HydrophobicContact CB-CZ 3.86Å; I535-F537 HydrophobicContact CD1-CZ 4.26Å; I535-F537 HydrophobicContact CG2-CD1 4.3Å; I535-F537 HydrophobicContact CG2-CD2 4.49Å; I535-F537 HydrophobicContact CG2-CE1 3.53Å; I535-F537 VanDerWaalsContact CG2-CE1 3.44Å; I535-F537 HydrophobicContact CG2-CE2 3.86Å; I535-F537 HydrophobicContact CG2-CZ 3.27Å; I535-D582 HydrophobicContact CD1-CB 3.92Å; I535-I583 HydrophobicContact CD1-CD1 4.34Å; I535-I583 HydrophobicContact CD1-CG1 3.98Å | ||
| 536 | S | 66.9 | Low | 72.9 | Confident | 113.5 Ų | 113.5 | 77.4 Ų | 77.4 | 79% | 0.794 | 40% | 0.402 | S | S | * | . | trans | -117.7 | 130.3 | 174.9 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 537 | F | 67.4 | Low | 73.1 | Confident | 63.5 Ų | 63.5 | 73 Ų | 73 | 28% | 0.279 | 39% | 0.386 | S | S | . | . | trans | -118 | 153.2 | -179.5 | -58 | -69.7 | 0 | 0 | 0 | 111.4 | I535 E541 V545 Y580 I583 | I535-F537 HydrophobicContact CB-CE2 4.05Å; I535-F537 HydrophobicContact CB-CZ 3.86Å; I535-F537 HydrophobicContact CD1-CZ 4.26Å; I535-F537 HydrophobicContact CG2-CD1 4.3Å; I535-F537 HydrophobicContact CG2-CD2 4.49Å; I535-F537 HydrophobicContact CG2-CE1 3.53Å; I535-F537 VanDerWaalsContact CG2-CE1 3.44Å; I535-F537 HydrophobicContact CG2-CE2 3.86Å; I535-F537 HydrophobicContact CG2-CZ 3.27Å; F537-E541 HydrophobicContact CB-CB 4.38Å; F537-V545 HydrophobicContact CD1-CG1 4.29Å; F537-V545 HydrophobicContact CD1-CG2 3.95Å; F537-V545 HydrophobicContact CD2-CG1 4.29Å; F537-V545 HydrophobicContact CE1-CB 4.28Å; F537-V545 HydrophobicContact CE1-CG1 3.93Å; F537-V545 HydrophobicContact CE1-CG2 3.83Å; F537-V545 HydrophobicContact CE2-CG1 4.02Å; F537-V545 HydrophobicContact CG-CG2 4.35Å; F537-V545 HydrophobicContact CZ-CG1 3.91Å; F537-V545 HydrophobicContact CZ-CG2 4.27Å; F537-Y580 HydrophobicContact CE1-CD1 4.42Å; F537-I583 HydrophobicContact CE1-CD1 3.63Å; F537-I583 HydrophobicContact CE2-CD1 4.38Å; F537-I583 HydrophobicContact CZ-CD1 3.43Å; F537-I583 VanDerWaalsContact CZ-CD1 3.48Å; F537-I583 HydrophobicContact CZ-CG1 4.18Å | ||
| 538 | N | 64.7 | Low | 73.3 | Confident | 102.5 Ų | 102.5 | 70.7 Ų | 70.7 | 55% | 0.548 | 37% | 0.369 | S | S | . | . | trans | -80.9 | 154.8 | 161.2 | -62.2 | -50 | 0 | 0 | 0 | 110.2 | D540 E541 Q542 | N538-D540 VanDerWaalsContact C-N 3.31Å; N538-D540 PolarHBondContact O-N 3.35Å; N538-E541 HydrophobicContact CB-CB 4.37Å; N538-E541 HydrophobicContact CB-CG 4.23Å; N538-E541 PolarHBondContact N-OE2 3.25Å; N538-E541 VanDerWaalsContact ND2-CD 3.3Å; N538-E541 PolarHBondContact ND2-OE1 2.96Å; N538-E541 PolarHBondContact ND2-OE2 3.25Å; N538-E541 WeakPolarHBondContact O-CB 3.46Å; N538-E541 PolarHBondContact O-N 3.24Å; N538-E541 VanDerWaalsContact O-N 3.16Å; N538-Q542 PolarHBondContact O-N 2.82Å; N538-Q542 VanDerWaalsContact O-N 3.08Å | ||
| 539 | E | 60.1 | Low | 73.5 | Confident | 170 Ų | 170 | 71.5 Ų | 71.5 | 79% | 0.794 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.2 | -41 | -178 | -66.8 | -169.2 | 161.4 | 0 | 0 | 112.4 | E541 Q542 | E539-E541 VanDerWaalsContact C-N 3.32Å; E539-E541 PolarHBondContact O-N 3.04Å; E539-Q542 WeakPolarHBondContact O-CB 3.33Å; E539-Q542 PolarHBondContact O-N 3.19Å |
| 540 | D | 61.5 | Low | 74.1 | Confident | 138 Ų | 138 | 68 Ų | 68 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67 | -33 | 177.5 | -62 | -46.9 | 0 | 0 | 0 | 113.2 | N538 Q542 N544 | N538-D540 VanDerWaalsContact C-N 3.31Å; N538-D540 PolarHBondContact O-N 3.35Å; D540-Q542 VanDerWaalsContact C-N 3.28Å; D540-N544 PolarHBondContact O-ND2 3.47Å |
| 541 | E | 68.6 | Low | 74.6 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73 | -31.4 | 176.6 | -71.5 | 166.1 | -163.6 | 0 | 0 | 111.1 | F537 N538 E539 I543 N544 V545 | F537-E541 HydrophobicContact CB-CB 4.38Å; N538-E541 HydrophobicContact CB-CB 4.37Å; N538-E541 HydrophobicContact CB-CG 4.23Å; N538-E541 PolarHBondContact N-OE2 3.25Å; N538-E541 VanDerWaalsContact ND2-CD 3.3Å; N538-E541 PolarHBondContact ND2-OE1 2.96Å; N538-E541 PolarHBondContact ND2-OE2 3.25Å; N538-E541 WeakPolarHBondContact O-CB 3.46Å; N538-E541 PolarHBondContact O-N 3.24Å; N538-E541 VanDerWaalsContact O-N 3.16Å; E539-E541 VanDerWaalsContact C-N 3.32Å; E539-E541 PolarHBondContact O-N 3.04Å; E541-I543 VanDerWaalsContact C-N 3.28Å; E541-I543 PolarHBondContact O-N 3.17Å; E541-N544 PolarHBondContact O-N 3.36Å; E541-N544 VanDerWaalsContact O-N 3.1Å; E541-V545 VanDerWaalsContact O-CB 3.25Å; E541-V545 WeakPolarHBondContact O-CB 3.4Å; E541-V545 WeakPolarHBondContact O-CG2 3.26Å; E541-V545 PolarHBondContact O-N 2.94Å |
| 542 | Q | 69.7 | Low | 75.4 | Confident | 95 Ų | 95 | 64.4 Ų | 64.4 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | -174.4 | -168.6 | 172 | -13.7 | 0 | 0 | 112.1 | N538 E539 D540 V545 Q546 | N538-Q542 PolarHBondContact O-N 2.82Å; N538-Q542 VanDerWaalsContact O-N 3.08Å; E539-Q542 WeakPolarHBondContact O-CB 3.33Å; E539-Q542 PolarHBondContact O-N 3.19Å; D540-Q542 VanDerWaalsContact C-N 3.28Å; Q542-V545 PolarHBondContact O-N 2.95Å; Q542-Q546 VanDerWaalsContact O-CB 3.25Å; Q542-Q546 WeakPolarHBondContact O-CB 3.38Å; Q542-Q546 VanDerWaalsContact O-CG 3.28Å; Q542-Q546 WeakPolarHBondContact O-CG 3.29Å; Q542-Q546 PolarHBondContact O-N 2.79Å |
| 543 | I | 71.2 | Confident | 76.2 | Confident | 90.5 Ų | 90.5 | 59.4 Ų | 59.4 | 46% | 0.464 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 178.5 | -57.7 | 174.8 | 0 | 0 | 0 | 110.9 | P515 E541 V545 Q546 L547 | P515-I543 HydrophobicContact CB-CG2 3.89Å; P515-I543 HydrophobicContact CG-CG2 3.97Å; E541-I543 VanDerWaalsContact C-N 3.28Å; E541-I543 PolarHBondContact O-N 3.17Å; I543-V545 VanDerWaalsContact C-N 3.34Å; I543-V545 PolarHBondContact O-N 3.15Å; I543-Q546 WeakPolarHBondContact O-CB 3.37Å; I543-Q546 PolarHBondContact O-N 3.44Å; I543-L547 PolarHBondContact O-N 2.89Å |
| 544 | N | 73.5 | Confident | 76.9 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 178.5 | -67.9 | -49.2 | 0 | 0 | 0 | 111.6 | D540 E541 Q546 W548 | D540-N544 PolarHBondContact O-ND2 3.47Å; E541-N544 PolarHBondContact O-N 3.36Å; E541-N544 VanDerWaalsContact O-N 3.1Å; N544-Q546 VanDerWaalsContact C-N 3.34Å; N544-W548 VanDerWaalsContact O-CD1 3.23Å |
| 545 | V | 79 | Confident | 77.7 | Confident | 0.5 Ų | 0.5 | 52.4 Ų | 52.4 | 0% | 0.003 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 177.7 | 159.5 | 0 | 0 | 0 | 0 | 112.1 | F537 E541 Q542 I543 L547 W548 K549 Y580 I583 | F537-V545 HydrophobicContact CD1-CG1 4.29Å; F537-V545 HydrophobicContact CD1-CG2 3.95Å; F537-V545 HydrophobicContact CD2-CG1 4.29Å; F537-V545 HydrophobicContact CE1-CB 4.28Å; F537-V545 HydrophobicContact CE1-CG1 3.93Å; F537-V545 HydrophobicContact CE1-CG2 3.83Å; F537-V545 HydrophobicContact CE2-CG1 4.02Å; F537-V545 HydrophobicContact CG-CG2 4.35Å; F537-V545 HydrophobicContact CZ-CG1 3.91Å; F537-V545 HydrophobicContact CZ-CG2 4.27Å; E541-V545 VanDerWaalsContact O-CB 3.25Å; E541-V545 WeakPolarHBondContact O-CB 3.4Å; E541-V545 WeakPolarHBondContact O-CG2 3.26Å; E541-V545 PolarHBondContact O-N 2.94Å; Q542-V545 PolarHBondContact O-N 2.95Å; I543-V545 VanDerWaalsContact C-N 3.34Å; I543-V545 PolarHBondContact O-N 3.15Å; V545-L547 VanDerWaalsContact C-N 3.31Å; V545-L547 PolarHBondContact O-N 3.34Å; V545-W548 CarbonylContact O-C 3.57Å; V545-W548 WeakPolarHBondContact O-CA 3.41Å; V545-W548 PolarHBondContact O-N 3.05Å; V545-W548 VanDerWaalsContact O-N 3.12Å; V545-K549 WeakPolarHBondContact O-CG 3.47Å; V545-K549 PolarHBondContact O-N 3.06Å; V545-Y580 HydrophobicContact CG2-CD1 3.83Å; V545-Y580 HydrophobicContact CG2-CD2 4.26Å; V545-Y580 HydrophobicContact CG2-CE1 3.53Å; V545-Y580 HydrophobicContact CG2-CE2 3.99Å; V545-Y580 HydrophobicContact CG2-CG 4.19Å; V545-I583 HydrophobicContact CB-CD1 4.34Å; V545-I583 HydrophobicContact CG1-CD1 3.42Å; V545-I583 HydrophobicContact CG2-CD1 4.12Å |
| 546 | Q | 80 | Confident | 78.4 | Confident | 46.5 Ų | 46.5 | 50 Ų | 50 | 22% | 0.217 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -43 | -177.7 | -123.4 | 5.1 | 9.1 | 0 | 0 | 112 | D521 Q542 I543 N544 W548 K549 | D521-Q546 HydrophobicContact CB-CG 4.1Å; D521-Q546 WeakPolarHBondContact OD1-CG 3.33Å; D521-Q546 PolarHBondContact OD1-NE2 3.45Å; D521-Q546 WeakPolarHBondContact OD2-CB 3.44Å; D521-Q546 WeakPolarHBondContact OD2-CG 3.28Å; Q542-Q546 VanDerWaalsContact O-CB 3.25Å; Q542-Q546 WeakPolarHBondContact O-CB 3.38Å; Q542-Q546 VanDerWaalsContact O-CG 3.28Å; Q542-Q546 WeakPolarHBondContact O-CG 3.29Å; Q542-Q546 PolarHBondContact O-N 2.79Å; I543-Q546 WeakPolarHBondContact O-CB 3.37Å; I543-Q546 PolarHBondContact O-N 3.44Å; N544-Q546 VanDerWaalsContact C-N 3.34Å; Q546-W548 PolarHBondContact O-N 3.1Å; Q546-K549 WeakPolarHBondContact O-CA 3.34Å; Q546-K549 VanDerWaalsContact O-CB 3.26Å; Q546-K549 WeakPolarHBondContact O-CB 3.47Å; Q546-K549 PolarHBondContact O-N 3.05Å; Q546-K549 VanDerWaalsContact OE1-CD 3.28Å |
| 547 | L | 84.7 | Confident | 79.6 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.6 | -35.2 | 175.7 | -177.9 | 64.2 | 0 | 0 | 0 | 112.6 | S512 L520 I543 V545 K549 N550 Y553 | S512-L547 VanDerWaalsContact CA-CD2 3.46Å; L520-L547 HydrophobicContact CB-CD1 3.89Å; L520-L547 HydrophobicContact CD1-CD1 4.01Å; L520-L547 HydrophobicContact CG-CD1 4.4Å; I543-L547 PolarHBondContact O-N 2.89Å; V545-L547 VanDerWaalsContact C-N 3.31Å; V545-L547 PolarHBondContact O-N 3.34Å; L547-K549 VanDerWaalsContact C-N 3.28Å; L547-K549 PolarHBondContact O-N 2.98Å; L547-N550 VanDerWaalsContact O-CB 3.22Å; L547-N550 WeakPolarHBondContact O-CB 3.2Å; L547-N550 PolarHBondContact O-N 3.23Å; L547-Y553 HydrophobicContact CD1-CD1 3.93Å; L547-Y553 HydrophobicContact CD1-CD2 3.87Å; L547-Y553 HydrophobicContact CD1-CE1 4.26Å; L547-Y553 HydrophobicContact CD1-CE2 4.2Å; L547-Y553 HydrophobicContact CD1-CG 3.73Å; L547-Y553 HydrophobicContact CD2-CD1 4.43Å; L547-Y553 HydrophobicContact CD2-CE1 3.95Å; L547-Y553 HydrophobicContact CD2-CE2 4.24Å; L547-Y553 HydrophobicContact CG-CD1 3.83Å; L547-Y553 HydrophobicContact CG-CD2 4.39Å; L547-Y553 HydrophobicContact CG-CE1 3.83Å; L547-Y553 HydrophobicContact CG-CE2 4.39Å; L547-Y553 HydrophobicContact CG-CG 4.17Å |
| 548 | W | 87.2 | Confident | 80.8 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -78.9 | -7.2 | 178.2 | -69.1 | 107.2 | 0 | 0 | 0 | 114.3 | N544 V545 Q546 N550 Y553 V554 L557 L572 F573 V576 I583 L584 T587 | N544-W548 VanDerWaalsContact O-CD1 3.23Å; V545-W548 CarbonylContact O-C 3.57Å; V545-W548 WeakPolarHBondContact O-CA 3.41Å; V545-W548 PolarHBondContact O-N 3.05Å; V545-W548 VanDerWaalsContact O-N 3.12Å; Q546-W548 PolarHBondContact O-N 3.1Å; W548-N550 VanDerWaalsContact C-N 3.32Å; W548-Y553 HydrophobicContact CD2-CE1 4.45Å; W548-Y553 HydrophobicContact CE3-CD1 4.46Å; W548-Y553 HydrophobicContact CE3-CE1 4.24Å; W548-Y553 HydrophobicContact CH2-CD1 4.39Å; W548-Y553 AromaticContact CH2-CE1 3.6Å; W548-Y553 HydrophobicContact CH2-CE1 3.6Å; W548-Y553 AromaticContact CZ2-CE1 3.76Å; W548-Y553 HydrophobicContact CZ2-CE1 3.92Å; W548-Y553 HydrophobicContact CZ3-CD1 4.33Å; W548-Y553 AromaticContact CZ3-CE1 3.8Å; W548-Y553 HydrophobicContact CZ3-CE1 3.8Å; W548-V554 HydrophobicContact CE3-CG2 4.09Å; W548-V554 HydrophobicContact CZ3-CG2 4.1Å; W548-L557 HydrophobicContact CH2-CD1 3.78Å; W548-L557 HydrophobicContact CZ3-CD1 4.01Å; W548-L572 HydrophobicContact CH2-CD2 3.39Å; W548-L572 VanDerWaalsContact CH2-CD2 3.44Å; W548-L572 HydrophobicContact CH2-CG 4.21Å; W548-L572 HydrophobicContact CZ2-CD2 3.95Å; W548-L572 HydrophobicContact CZ3-CD2 4.18Å; W548-F573 HydrophobicContact CZ3-CD1 4.04Å; W548-F573 AromaticContact CZ3-CE1 3.83Å; W548-F573 HydrophobicContact CZ3-CE1 3.83Å; W548-V576 HydrophobicContact CD2-CB 4.43Å; W548-V576 HydrophobicContact CD2-CG1 3.56Å; W548-V576 HydrophobicContact CD2-CG2 4.03Å; W548-V576 VanDerWaalsContact CE2-CG2 3.48Å; W548-V576 HydrophobicContact CE3-CG1 3.88Å; W548-V576 HydrophobicContact CE3-CG2 4.39Å; W548-V576 HydrophobicContact CG-CG1 3.85Å; W548-V576 HydrophobicContact CH2-CG2 3.77Å; W548-V576 HydrophobicContact CZ2-CB 4.35Å; W548-V576 HydrophobicContact CZ2-CG1 4.33Å; W548-V576 HydrophobicContact CZ2-CG2 3.33Å; W548-V576 VanDerWaalsContact CZ2-CG2 3.45Å; W548-V576 HydrophobicContact CZ3-CG1 4.42Å; W548-V576 HydrophobicContact CZ3-CG2 4.26Å; W548-I583 HydrophobicContact CB-CG2 4.31Å; W548-I583 WeakPolarHBondContact O-CG2 3.39Å; W548-L584 HydrophobicContact CE3-CD1 4.09Å; W548-L584 HydrophobicContact CZ3-CD1 4.14Å; W548-T587 WeakPolarHBondContact O-CG2 3.33Å; W548-T587 PolarHBondContact O-OG1 3.15Å |
| 549 | K | 86.2 | Confident | 82 | Confident | 29.5 Ų | 29.5 | 39.3 Ų | 39.3 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -19.8 | 168.2 | -52.6 | -176.2 | -168.4 | 163.1 | 0 | 112.8 | C527 V528 I530 V545 Q546 L547 I551 I583 T587 | C527-K549 WeakPolarHBondContact CA-O 3.43Å; C527-K549 WeakPolarHBondContact SG-CB 3.48Å; V528-K549 PolarHBondContact N-O 3.13Å; V528-K549 VanDerWaalsContact N-O 3.14Å; I530-K549 HydrophobicContact CD1-CB 4.48Å; I530-K549 HydrophobicContact CD1-CD 3.63Å; I530-K549 VanDerWaalsContact CD1-CD 3.44Å; I530-K549 HydrophobicContact CD1-CG 3.63Å; V545-K549 WeakPolarHBondContact O-CG 3.47Å; V545-K549 PolarHBondContact O-N 3.06Å; Q546-K549 WeakPolarHBondContact O-CA 3.34Å; Q546-K549 VanDerWaalsContact O-CB 3.26Å; Q546-K549 WeakPolarHBondContact O-CB 3.47Å; Q546-K549 PolarHBondContact O-N 3.05Å; Q546-K549 VanDerWaalsContact OE1-CD 3.28Å; L547-K549 VanDerWaalsContact C-N 3.28Å; L547-K549 PolarHBondContact O-N 2.98Å; K549-I551 PolarHBondContact O-N 3.23Å; K549-I583 HydrophobicContact CG-CG2 4.04Å; K549-T587 WeakPolarHBondContact O-CG2 3.31Å |
| 550 | N | 87.9 | Confident | 83.4 | Confident | 0.5 Ų | 0.5 | 31.2 Ų | 31.2 | 0% | 0.003 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 108.8 | -176.5 | -178.4 | -25 | 0 | 0 | 0 | 110.3 | Y495 H525 R526 L547 W548 D552 Y553 V554 | Y495-N550 PolarHBondContact OH-ND2 2.75Å; H525-N550 WeakPolarHBondContact CB-ND2 3.34Å; R526-N550 CarbonylContact O-C 3.56Å; R526-N550 WeakPolarHBondContact O-CA 3.39Å; L547-N550 VanDerWaalsContact O-CB 3.22Å; L547-N550 WeakPolarHBondContact O-CB 3.2Å; L547-N550 PolarHBondContact O-N 3.23Å; W548-N550 VanDerWaalsContact C-N 3.32Å; N550-D552 VanDerWaalsContact C-N 3.29Å; N550-D552 PolarHBondContact O-N 3.02Å; N550-D552 WeakPolarHBondContact OD1-CB 3.33Å; N550-D552 PolarHBondContact OD1-N 3.03Å; N550-Y553 PolarHBondContact O-N 3.13Å; N550-Y553 PolarHBondContact OD1-N 3.38Å; N550-Y553 VanDerWaalsContact OD1-N 3.08Å; N550-V554 WeakPolarHBondContact O-CG2 3.34Å; N550-V554 PolarHBondContact O-N 3.16Å; N550-V554 VanDerWaalsContact O-N 3.15Å |
| 551 | I | 88.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | -177.5 | -57.1 | 170 | 0 | 0 | 0 | 110.4 | R526 V528 K549 V554 Q555 E590 T591 L630 | R526-I551 HydrophobicContact CB-CB 4.24Å; R526-I551 HydrophobicContact CB-CD1 4.1Å; R526-I551 HydrophobicContact CB-CG1 4.46Å; R526-I551 PolarHBondContact O-N 3.19Å; V528-I551 HydrophobicContact CG2-CD1 3.68Å; V528-I551 HydrophobicContact CG2-CG1 3.57Å; K549-I551 PolarHBondContact O-N 3.23Å; I551-V554 PolarHBondContact O-N 3.09Å; I551-Q555 VanDerWaalsContact O-CB 3.24Å; I551-Q555 WeakPolarHBondContact O-CB 3.35Å; I551-Q555 PolarHBondContact O-N 3.19Å; I551-E590 HydrophobicContact CD1-CB 3.96Å; I551-E590 WeakPolarHBondContact CD1-OE2 3.43Å; I551-E590 HydrophobicContact CG1-CB 4.4Å; I551-T591 HydrophobicContact CG2-CG2 3.95Å; I551-L630 HydrophobicContact CD1-CD1 3.81Å; I551-L630 HydrophobicContact CG2-CD1 4.42Å |
| 552 | D | 88.2 | Confident | 85.7 | Confident | 25 Ų | 25 | 26 Ų | 26 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.9 | -37.5 | -177 | -59.4 | -53.5 | 0 | 0 | 0 | 111.6 | Y495 R526 N550 Q555 A556 | Y495-D552 HydrophobicContact CD1-CB 3.99Å; Y495-D552 HydrophobicContact CD2-CB 3.75Å; Y495-D552 HydrophobicContact CE1-CB 4.18Å; Y495-D552 HydrophobicContact CE2-CB 3.93Å; Y495-D552 HydrophobicContact CG-CB 3.79Å; R526-D552 WeakPolarHBondContact CB-OD2 3.39Å; R526-D552 WeakPolarHBondContact CG-OD2 3.4Å; R526-D552 IonicContact CZ-OD1 3.52Å; R526-D552 PolarHBondContact N-OD2 3.18Å; R526-D552 IonicContact NE-OD1 2.77Å; R526-D552 PolarHBondContact NE-OD1 2.97Å; R526-D552 IonicContact NE-OD2 3.08Å; R526-D552 PolarHBondContact NE-OD2 3.39Å; R526-D552 IonicContact NH2-OD1 3.86Å; R526-D552 PolarHBondContact NH2-OD1 3.1Å; N550-D552 VanDerWaalsContact C-N 3.29Å; N550-D552 PolarHBondContact O-N 3.02Å; N550-D552 WeakPolarHBondContact OD1-CB 3.33Å; N550-D552 PolarHBondContact OD1-N 3.03Å; D552-Q555 PolarHBondContact O-N 3.09Å; D552-A556 WeakPolarHBondContact O-CB 3.36Å; D552-A556 PolarHBondContact O-N 3.45Å |
| 553 | Y | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -49.3 | 171.7 | 177.1 | -103.7 | 0 | 0 | 0 | 112 | L508 S512 L520 L547 W548 N550 Q555 A556 L557 | L508-Y553 HydrophobicContact CB-CE2 3.94Å; L508-Y553 HydrophobicContact CD2-CD2 4.03Å; L508-Y553 HydrophobicContact CD2-CE2 3.95Å; L508-Y553 HydrophobicContact CG-CE2 4.41Å; L508-Y553 WeakPolarHBondContact O-CE2 3.49Å; L508-Y553 PolarHBondContact O-OH 3.4Å; S512-Y553 WeakPolarHBondContact CB-OH 3.37Å; L520-Y553 HydrophobicContact CD1-CD2 3.74Å; L520-Y553 HydrophobicContact CD1-CE2 4.14Å; L547-Y553 HydrophobicContact CD1-CD1 3.93Å; L547-Y553 HydrophobicContact CD1-CD2 3.87Å; L547-Y553 HydrophobicContact CD1-CE1 4.26Å; L547-Y553 HydrophobicContact CD1-CE2 4.2Å; L547-Y553 HydrophobicContact CD1-CG 3.73Å; L547-Y553 HydrophobicContact CD2-CD1 4.43Å; L547-Y553 HydrophobicContact CD2-CE1 3.95Å; L547-Y553 HydrophobicContact CD2-CE2 4.24Å; L547-Y553 HydrophobicContact CG-CD1 3.83Å; L547-Y553 HydrophobicContact CG-CD2 4.39Å; L547-Y553 HydrophobicContact CG-CE1 3.83Å; L547-Y553 HydrophobicContact CG-CE2 4.39Å; L547-Y553 HydrophobicContact CG-CG 4.17Å; W548-Y553 HydrophobicContact CD2-CE1 4.45Å; W548-Y553 HydrophobicContact CE3-CD1 4.46Å; W548-Y553 HydrophobicContact CE3-CE1 4.24Å; W548-Y553 HydrophobicContact CH2-CD1 4.39Å; W548-Y553 AromaticContact CH2-CE1 3.6Å; W548-Y553 HydrophobicContact CH2-CE1 3.6Å; W548-Y553 AromaticContact CZ2-CE1 3.76Å; W548-Y553 HydrophobicContact CZ2-CE1 3.92Å; W548-Y553 HydrophobicContact CZ3-CD1 4.33Å; W548-Y553 AromaticContact CZ3-CE1 3.8Å; W548-Y553 HydrophobicContact CZ3-CE1 3.8Å; N550-Y553 PolarHBondContact O-N 3.13Å; N550-Y553 PolarHBondContact OD1-N 3.38Å; N550-Y553 VanDerWaalsContact OD1-N 3.08Å; Y553-Q555 VanDerWaalsContact C-N 3.31Å; Y553-Q555 PolarHBondContact O-N 3.16Å; Y553-A556 PolarHBondContact O-N 2.98Å; Y553-L557 HydrophobicContact CD1-CD1 4.24Å; Y553-L557 HydrophobicContact CE1-CD1 3.6Å; Y553-L557 HydrophobicContact CE1-CG 4.49Å; Y553-L557 HydrophobicContact CE2-CD1 4.4Å; Y553-L557 PolarHBondContact O-N 3.33Å; Y553-L557 VanDerWaalsContact O-N 3.13Å |
| 554 | V | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | W548 N550 I551 L557 L558 F573 L588 T591 | W548-V554 HydrophobicContact CE3-CG2 4.09Å; W548-V554 HydrophobicContact CZ3-CG2 4.1Å; N550-V554 WeakPolarHBondContact O-CG2 3.34Å; N550-V554 PolarHBondContact O-N 3.16Å; N550-V554 VanDerWaalsContact O-N 3.15Å; I551-V554 PolarHBondContact O-N 3.09Å; V554-L557 PolarHBondContact O-N 3.3Å; V554-L558 HydrophobicContact CG1-CD1 4.31Å; V554-L558 WeakPolarHBondContact O-CG 3.39Å; V554-L558 PolarHBondContact O-N 2.98Å; V554-F573 HydrophobicContact CG1-CE1 3.86Å; V554-F573 HydrophobicContact CG1-CZ 3.8Å; V554-L588 HydrophobicContact CG1-CD2 3.89Å; V554-T591 HydrophobicContact CB-CG2 4.2Å; V554-T591 HydrophobicContact CG1-CG2 3.87Å |
| 555 | Q | 90.1 | Very high | 87.8 | Confident | 19 Ų | 19 | 22.7 Ų | 22.7 | 9% | 0.089 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 176 | -173 | 63.5 | 57.2 | 0 | 0 | 112.3 | I551 D552 Y553 L557 L558 N559 T591 N592 | I551-Q555 VanDerWaalsContact O-CB 3.24Å; I551-Q555 WeakPolarHBondContact O-CB 3.35Å; I551-Q555 PolarHBondContact O-N 3.19Å; D552-Q555 PolarHBondContact O-N 3.09Å; Y553-Q555 VanDerWaalsContact C-N 3.31Å; Y553-Q555 PolarHBondContact O-N 3.16Å; Q555-L557 VanDerWaalsContact C-N 3.34Å; Q555-L557 PolarHBondContact O-N 2.99Å; Q555-L558 PolarHBondContact O-N 3.14Å; Q555-N559 PolarHBondContact NE2-OD1 3.07Å; Q555-N559 WeakPolarHBondContact O-CB 3.47Å; Q555-N559 PolarHBondContact O-N 2.97Å; Q555-N559 PolarHBondContact O-ND2 2.86Å; Q555-N559 PolarHBondContact O-OD1 3.05Å; Q555-T591 HydrophobicContact CB-CG2 4.47Å; Q555-N592 VanDerWaalsContact OE1-CB 3.31Å |
| 556 | A | 89.8 | Confident | 88.3 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y495 L508 D552 Y553 N559 L560 | Y495-A556 HydrophobicContact CD1-CB 4.4Å; L508-A556 HydrophobicContact CD1-CB 3.94Å; D552-A556 WeakPolarHBondContact O-CB 3.36Å; D552-A556 PolarHBondContact O-N 3.45Å; Y553-A556 PolarHBondContact O-N 2.98Å; A556-N559 WeakPolarHBondContact O-CB 3.41Å; A556-N559 PolarHBondContact O-N 3.45Å; A556-L560 WeakPolarHBondContact O-CG 3.4Å; A556-L560 PolarHBondContact O-N 3.33Å |
| 557 | L | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 174 | -68.6 | 176.3 | 0 | 0 | 0 | 112.7 | L505 L508 W548 Y553 V554 Q555 N559 L560 S561 V569 L572 F573 | L505-L557 HydrophobicContact CD1-CD2 3.99Å; L508-L557 HydrophobicContact CB-CD2 4.13Å; L508-L557 HydrophobicContact CD1-CD2 4.06Å; L508-L557 HydrophobicContact CD1-CG 4.5Å; W548-L557 HydrophobicContact CH2-CD1 3.78Å; W548-L557 HydrophobicContact CZ3-CD1 4.01Å; Y553-L557 HydrophobicContact CD1-CD1 4.24Å; Y553-L557 HydrophobicContact CE1-CD1 3.6Å; Y553-L557 HydrophobicContact CE1-CG 4.49Å; Y553-L557 HydrophobicContact CE2-CD1 4.4Å; Y553-L557 PolarHBondContact O-N 3.33Å; Y553-L557 VanDerWaalsContact O-N 3.13Å; V554-L557 PolarHBondContact O-N 3.3Å; Q555-L557 VanDerWaalsContact C-N 3.34Å; Q555-L557 PolarHBondContact O-N 2.99Å; L557-N559 VanDerWaalsContact C-N 3.35Å; L557-N559 PolarHBondContact O-N 3.04Å; L557-L560 HydrophobicContact CD2-CD1 4.43Å; L557-L560 WeakPolarHBondContact O-CB 3.47Å; L557-L560 PolarHBondContact O-N 2.93Å; L557-S561 PolarHBondContact O-N 3.29Å; L557-V569 HydrophobicContact CB-CG1 4.01Å; L557-V569 WeakPolarHBondContact O-CG1 3.44Å; L557-L572 HydrophobicContact CD1-CD2 4.04Å; L557-F573 HydrophobicContact CB-CE2 4.06Å; L557-F573 HydrophobicContact CB-CZ 4.01Å; L557-F573 HydrophobicContact CD1-CE1 4.15Å; L557-F573 HydrophobicContact CD1-CE2 3.83Å; L557-F573 HydrophobicContact CD1-CZ 4.25Å; L557-F573 HydrophobicContact CG-CE2 4.44Å |
| 558 | L | 91.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 174.1 | -73.2 | 171.1 | 0 | 0 | 0 | 111.4 | V554 Q555 L560 S561 D562 F573 L588 T591 L596 R597 | V554-L558 HydrophobicContact CG1-CD1 4.31Å; V554-L558 WeakPolarHBondContact O-CG 3.39Å; V554-L558 PolarHBondContact O-N 2.98Å; Q555-L558 PolarHBondContact O-N 3.14Å; L558-L560 VanDerWaalsContact C-N 3.27Å; L558-L560 PolarHBondContact O-N 2.77Å; L558-S561 WeakPolarHBondContact O-CB 3.3Å; L558-S561 PolarHBondContact O-N 2.87Å; L558-S561 PolarHBondContact O-OG 3.11Å; L558-D562 PolarHBondContact O-N 2.97Å; L558-F573 HydrophobicContact CD2-CE1 4.31Å; L558-F573 HydrophobicContact CD2-CE2 3.7Å; L558-F573 HydrophobicContact CD2-CZ 4.24Å; L558-F573 HydrophobicContact CG-CE2 4.11Å; L558-F573 HydrophobicContact CG-CZ 4.18Å; L558-L588 HydrophobicContact CD1-CD2 4.27Å; L558-L588 HydrophobicContact CD2-CD2 4.47Å; L558-T591 HydrophobicContact CD1-CG2 4.05Å; L558-L596 HydrophobicContact CD2-CB 4.03Å; L558-L596 HydrophobicContact CD2-CD2 4.36Å; L558-L596 HydrophobicContact CD2-CG 4.16Å; L558-R597 HydrophobicContact CD1-CB 4.06Å; L558-R597 HydrophobicContact CD1-CG 4.48Å; L558-R597 HydrophobicContact CD2-CB 3.87Å |
| 559 | N | 90.3 | Very high | 89.1 | Confident | 54.5 Ų | 54.5 | 29.6 Ų | 29.6 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61 | -35.7 | 176.4 | -63.5 | -16.5 | 0 | 0 | 0 | 112.1 | Q555 A556 L557 S561 D562 K563 | Q555-N559 PolarHBondContact NE2-OD1 3.07Å; Q555-N559 WeakPolarHBondContact O-CB 3.47Å; Q555-N559 PolarHBondContact O-N 2.97Å; Q555-N559 PolarHBondContact O-ND2 2.86Å; Q555-N559 PolarHBondContact O-OD1 3.05Å; A556-N559 WeakPolarHBondContact O-CB 3.41Å; A556-N559 PolarHBondContact O-N 3.45Å; L557-N559 VanDerWaalsContact C-N 3.35Å; L557-N559 PolarHBondContact O-N 3.04Å; N559-S561 VanDerWaalsContact C-N 3.34Å; N559-D562 PolarHBondContact O-N 2.94Å; N559-K563 PolarHBondContact O-N 2.99Å |
| 560 | L | 89.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.4 | -33.1 | 174.4 | -72.2 | 170.4 | 0 | 0 | 0 | 112.5 | S501 Q504 L505 L508 A556 L557 L558 D562 K563 L565 V569 | S501-L560 WeakPolarHBondContact O-CD2 3.24Å; Q504-L560 HydrophobicContact CB-CD1 4.4Å; Q504-L560 HydrophobicContact CB-CD2 4.2Å; Q504-L560 HydrophobicContact CG-CD1 4.23Å; Q504-L560 HydrophobicContact CG-CD2 4.34Å; L505-L560 HydrophobicContact CB-CD1 4.15Å; L505-L560 HydrophobicContact CD1-CD1 4.26Å; L508-L560 HydrophobicContact CD1-CD1 3.85Å; A556-L560 WeakPolarHBondContact O-CG 3.4Å; A556-L560 PolarHBondContact O-N 3.33Å; L557-L560 HydrophobicContact CD2-CD1 4.43Å; L557-L560 WeakPolarHBondContact O-CB 3.47Å; L557-L560 PolarHBondContact O-N 2.93Å; L558-L560 VanDerWaalsContact C-N 3.27Å; L558-L560 PolarHBondContact O-N 2.77Å; L560-D562 VanDerWaalsContact C-N 3.32Å; L560-D562 PolarHBondContact O-N 2.91Å; L560-K563 PolarHBondContact O-N 2.89Å; L560-K563 VanDerWaalsContact O-N 3.14Å; L560-L565 PolarHBondContact O-N 2.94Å; L560-V569 HydrophobicContact CB-CG2 4.35Å |
| 561 | S | 90.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -63.8 | -39.8 | 177.6 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | L557 L558 N559 K563 G564 Y566 L596 | L557-S561 PolarHBondContact O-N 3.29Å; L558-S561 WeakPolarHBondContact O-CB 3.3Å; L558-S561 PolarHBondContact O-N 2.87Å; L558-S561 PolarHBondContact O-OG 3.11Å; N559-S561 VanDerWaalsContact C-N 3.34Å; S561-K563 VanDerWaalsContact C-N 3.28Å; S561-K563 PolarHBondContact O-N 2.97Å; S561-G564 PolarHBondContact O-N 2.86Å; S561-Y566 PolarHBondContact O-N 3.21Å; S561-L596 WeakPolarHBondContact OG-CB 3.22Å; S561-L596 WeakPolarHBondContact OG-CD2 3.41Å |
| 562 | D | 87.7 | Confident | 89.4 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -73.7 | -14.4 | 176.8 | -68.1 | -39.3 | 0 | 0 | 0 | 112.6 | L558 N559 L560 G564 T595 | L558-D562 PolarHBondContact O-N 2.97Å; N559-D562 PolarHBondContact O-N 2.94Å; L560-D562 VanDerWaalsContact C-N 3.32Å; L560-D562 PolarHBondContact O-N 2.91Å; D562-G564 PolarHBondContact O-N 2.89Å; D562-T595 WeakPolarHBondContact OD1-CG2 3.36Å; D562-T595 PolarHBondContact OD1-OG1 3Å; D562-T595 VanDerWaalsContact OD1-OG1 3.05Å |
| 563 | K | 85.2 | Confident | 89.6 | Confident | 90.5 Ų | 90.5 | 36 Ų | 36 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -86.6 | 16.8 | 171.8 | -71.8 | -172.4 | 171.5 | -178.3 | 0 | 114.2 | S497 W498 N559 L560 S561 | S497-K563 VanDerWaalsContact OG-CE 3.24Å; S497-K563 WeakPolarHBondContact OG-CE 3.44Å; S497-K563 PolarHBondContact OG-NZ 3.13Å; W498-K563 PolarHBondContact O-NZ 2.81Å; N559-K563 PolarHBondContact O-N 2.99Å; L560-K563 PolarHBondContact O-N 2.89Å; L560-K563 VanDerWaalsContact O-N 3.14Å; S561-K563 VanDerWaalsContact C-N 3.28Å; S561-K563 PolarHBondContact O-N 2.97Å |
| 564 | G | 84 | Confident | 89.4 | Confident | 67.5 Ų | 67.5 | 39.6 Ų | 39.6 | 70% | 0.696 | 21% | 0.21 | S | C | * | . | I | π-helix | trans | 96.5 | -5.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | S561 D562 Y566 | S561-G564 PolarHBondContact O-N 2.86Å; D562-G564 PolarHBondContact O-N 2.89Å; G564-Y566 PolarHBondContact O-N 2.97Å |
| 565 | L | 87.8 | Confident | 89.3 | Confident | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.12 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -88.5 | 24.3 | 176.3 | -61.1 | 174.2 | 0 | 0 | 0 | 112.9 | S501 I502 L505 L560 S567 D568 V569 | S501-L565 WeakPolarHBondContact O-CD1 3.33Å; I502-L565 HydrophobicContact CG1-CD1 4.41Å; I502-L565 HydrophobicContact CG1-CD2 4.09Å; L505-L565 HydrophobicContact CB-CD1 3.99Å; L505-L565 HydrophobicContact CD2-CB 4.27Å; L505-L565 HydrophobicContact CD2-CD1 3.88Å; L505-L565 HydrophobicContact CD2-CG 4.47Å; L560-L565 PolarHBondContact O-N 2.94Å; L565-S567 PolarHBondContact O-N 3.05Å; L565-S567 VanDerWaalsContact O-N 3.09Å; L565-D568 PolarHBondContact O-N 2.83Å; L565-D568 VanDerWaalsContact O-N 3.09Å; L565-V569 HydrophobicContact CB-CG2 4.43Å; L565-V569 WeakPolarHBondContact O-CG2 3.38Å; L565-V569 PolarHBondContact O-N 2.94Å; L565-V569 VanDerWaalsContact O-N 3.15Å |
| 566 | Y | 90.2 | Very high | 89.1 | Confident | 81.5 Ų | 81.5 | 45.6 Ų | 45.6 | 32% | 0.32 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -51.2 | -44.8 | -175.4 | -175.8 | -84.3 | 0 | 0 | 0 | 113.2 | S561 G564 D568 Y570 L596 | S561-Y566 PolarHBondContact O-N 3.21Å; G564-Y566 PolarHBondContact O-N 2.97Å; Y566-D568 PolarHBondContact O-N 3.09Å; Y566-Y570 HydrophobicContact CE1-CD2 4.15Å; Y566-Y570 HydrophobicContact CE1-CG 4.44Å; Y566-Y570 WeakPolarHBondContact O-CB 3.18Å; Y566-Y570 PolarHBondContact O-N 3.02Å; Y566-L596 HydrophobicContact CD2-CB 4.2Å; Y566-L596 HydrophobicContact CD2-CD1 4.46Å; Y566-L596 HydrophobicContact CE2-CB 3.76Å; Y566-L596 HydrophobicContact CE2-CD1 3.91Å; Y566-L596 HydrophobicContact CE2-CG 4.37Å |
| 567 | S | 88.5 | Confident | 89.1 | Confident | 65 Ų | 65 | 46 Ų | 46 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -43.9 | -177.3 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | L565 Y570 K571 | L565-S567 PolarHBondContact O-N 3.05Å; L565-S567 VanDerWaalsContact O-N 3.09Å; S567-Y570 PolarHBondContact O-N 3.26Å; S567-K571 WeakPolarHBondContact O-CE 3.4Å; S567-K571 VanDerWaalsContact O-CG 3.25Å; S567-K571 WeakPolarHBondContact O-CG 3.22Å; S567-K571 PolarHBondContact O-N 3Å; S567-K571 VanDerWaalsContact O-N 3.08Å; S567-K571 WeakPolarHBondContact OG-CE 3.45Å |
| 568 | D | 88.7 | Confident | 88.7 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.7 | -40 | -174.3 | -59.4 | -55.3 | 0 | 0 | 0 | 111.6 | L505 L565 Y566 K571 L572 | L505-D568 HydrophobicContact CD2-CB 3.98Å; L565-D568 PolarHBondContact O-N 2.83Å; L565-D568 VanDerWaalsContact O-N 3.09Å; Y566-D568 PolarHBondContact O-N 3.09Å; D568-K571 PolarHBondContact O-N 2.9Å; D568-K571 IonicContact OD1-NZ 3.26Å; D568-K571 PolarHBondContact OD1-NZ 3.27Å; D568-L572 WeakPolarHBondContact O-CB 3.41Å; D568-L572 PolarHBondContact O-N 3.12Å; D568-L572 VanDerWaalsContact O-N 3.15Å |
| 569 | V | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 172.5 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | L505 L557 L560 L565 K571 L572 F573 L596 | L505-V569 HydrophobicContact CD1-CG2 4.08Å; L557-V569 HydrophobicContact CB-CG1 4.01Å; L557-V569 WeakPolarHBondContact O-CG1 3.44Å; L560-V569 HydrophobicContact CB-CG2 4.35Å; L565-V569 HydrophobicContact CB-CG2 4.43Å; L565-V569 WeakPolarHBondContact O-CG2 3.38Å; L565-V569 PolarHBondContact O-N 2.94Å; L565-V569 VanDerWaalsContact O-N 3.15Å; V569-K571 PolarHBondContact O-N 3.1Å; V569-L572 PolarHBondContact O-N 3.47Å; V569-F573 HydrophobicContact CG1-CD2 3.7Å; V569-F573 HydrophobicContact CG1-CE2 3.54Å; V569-F573 HydrophobicContact CG1-CZ 4.27Å; V569-F573 WeakPolarHBondContact O-CD2 3.37Å; V569-F573 PolarHBondContact O-N 3.26Å; V569-L596 HydrophobicContact CB-CD2 3.91Å; V569-L596 HydrophobicContact CG1-CD2 3.5Å; V569-L596 VanDerWaalsContact CG1-CD2 3.48Å |
| 570 | Y | 91.4 | Very high | 88.1 | Confident | 52.5 Ų | 52.5 | 55.6 Ų | 55.6 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 175.9 | 177.4 | -94 | 0 | 0 | 0 | 112.3 | Y566 S567 L572 F573 K574 L596 V599 M600 | Y566-Y570 HydrophobicContact CE1-CD2 4.15Å; Y566-Y570 HydrophobicContact CE1-CG 4.44Å; Y566-Y570 WeakPolarHBondContact O-CB 3.18Å; Y566-Y570 PolarHBondContact O-N 3.02Å; S567-Y570 PolarHBondContact O-N 3.26Å; Y570-L572 VanDerWaalsContact C-N 3.3Å; Y570-L572 PolarHBondContact O-N 3Å; Y570-F573 PolarHBondContact O-N 3.01Å; Y570-K574 HydrophobicContact CE1-CB 4.4Å; Y570-K574 HydrophobicContact CE1-CD 4.08Å; Y570-K574 WeakPolarHBondContact O-CB 3.42Å; Y570-K574 PolarHBondContact O-N 2.86Å; Y570-L596 HydrophobicContact CD2-CD1 3.6Å; Y570-L596 HydrophobicContact CG-CD1 4.22Å; Y570-V599 HydrophobicContact CE2-CG1 4.24Å; Y570-M600 HydrophobicContact CD2-CE 3.35Å; Y570-M600 HydrophobicContact CD2-SD 3.99Å; Y570-M600 HydrophobicContact CE2-CE 3.46Å; Y570-M600 VanDerWaalsContact CE2-CE 3.46Å; Y570-M600 HydrophobicContact CE2-SD 3.78Å; Y570-M600 HydrophobicContact CG-CE 3.91Å |
| 571 | K | 89.2 | Confident | 88 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 174.8 | -73.2 | 167.6 | -164.1 | 171.8 | 0 | 111.2 | S567 D568 V569 K574 Q575 | S567-K571 WeakPolarHBondContact O-CE 3.4Å; S567-K571 VanDerWaalsContact O-CG 3.25Å; S567-K571 WeakPolarHBondContact O-CG 3.22Å; S567-K571 PolarHBondContact O-N 3Å; S567-K571 VanDerWaalsContact O-N 3.08Å; S567-K571 WeakPolarHBondContact OG-CE 3.45Å; D568-K571 PolarHBondContact O-N 2.9Å; D568-K571 IonicContact OD1-NZ 3.26Å; D568-K571 PolarHBondContact OD1-NZ 3.27Å; V569-K571 PolarHBondContact O-N 3.1Å; K571-K574 PolarHBondContact O-N 3.39Å; K571-Q575 PolarHBondContact O-N 3.22Å |
| 572 | L | 89.2 | Confident | 88 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -49.3 | -179.5 | -177.2 | 157.3 | 0 | 0 | 0 | 111.3 | Q509 W548 L557 D568 V569 Y570 K574 Q575 V576 | Q509-L572 HydrophobicContact CG-CD1 3.8Å; W548-L572 HydrophobicContact CH2-CD2 3.39Å; W548-L572 VanDerWaalsContact CH2-CD2 3.44Å; W548-L572 HydrophobicContact CH2-CG 4.21Å; W548-L572 HydrophobicContact CZ2-CD2 3.95Å; W548-L572 HydrophobicContact CZ3-CD2 4.18Å; L557-L572 HydrophobicContact CD1-CD2 4.04Å; D568-L572 WeakPolarHBondContact O-CB 3.41Å; D568-L572 PolarHBondContact O-N 3.12Å; D568-L572 VanDerWaalsContact O-N 3.15Å; V569-L572 PolarHBondContact O-N 3.47Å; Y570-L572 VanDerWaalsContact C-N 3.3Å; Y570-L572 PolarHBondContact O-N 3Å; L572-K574 VanDerWaalsContact C-N 3.31Å; L572-K574 PolarHBondContact O-N 2.96Å; L572-Q575 PolarHBondContact O-N 3.23Å; L572-V576 HydrophobicContact CD2-CG2 4.13Å; L572-V576 WeakPolarHBondContact O-CG2 3.34Å; L572-V576 PolarHBondContact O-N 3.23Å |
| 573 | F | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 173.9 | -83 | -78.3 | 0 | 0 | 0 | 112.8 | W548 V554 L557 L558 V569 Y570 V576 F577 L584 L588 L596 M600 | W548-F573 HydrophobicContact CZ3-CD1 4.04Å; W548-F573 AromaticContact CZ3-CE1 3.83Å; W548-F573 HydrophobicContact CZ3-CE1 3.83Å; V554-F573 HydrophobicContact CG1-CE1 3.86Å; V554-F573 HydrophobicContact CG1-CZ 3.8Å; L557-F573 HydrophobicContact CB-CE2 4.06Å; L557-F573 HydrophobicContact CB-CZ 4.01Å; L557-F573 HydrophobicContact CD1-CE1 4.15Å; L557-F573 HydrophobicContact CD1-CE2 3.83Å; L557-F573 HydrophobicContact CD1-CZ 4.25Å; L557-F573 HydrophobicContact CG-CE2 4.44Å; L558-F573 HydrophobicContact CD2-CE1 4.31Å; L558-F573 HydrophobicContact CD2-CE2 3.7Å; L558-F573 HydrophobicContact CD2-CZ 4.24Å; L558-F573 HydrophobicContact CG-CE2 4.11Å; L558-F573 HydrophobicContact CG-CZ 4.18Å; V569-F573 HydrophobicContact CG1-CD2 3.7Å; V569-F573 HydrophobicContact CG1-CE2 3.54Å; V569-F573 HydrophobicContact CG1-CZ 4.27Å; V569-F573 WeakPolarHBondContact O-CD2 3.37Å; V569-F573 PolarHBondContact O-N 3.26Å; Y570-F573 PolarHBondContact O-N 3.01Å; F573-V576 PolarHBondContact O-N 2.9Å; F573-F577 VanDerWaalsContact O-CB 3.31Å; F573-F577 WeakPolarHBondContact O-CB 3.24Å; F573-F577 PolarHBondContact O-N 3.27Å; F573-L584 HydrophobicContact CB-CD2 4.47Å; F573-L584 HydrophobicContact CD1-CD1 3.88Å; F573-L584 HydrophobicContact CD1-CD2 4.21Å; F573-L584 HydrophobicContact CD1-CG 4.49Å; F573-L584 HydrophobicContact CE1-CD1 3.99Å; F573-L584 WeakPolarHBondContact O-CD2 3.49Å; F573-L588 HydrophobicContact CD1-CD2 4.41Å; F573-L588 HydrophobicContact CE1-CD2 3.93Å; F573-L596 HydrophobicContact CD2-CD2 4.06Å; F573-L596 HydrophobicContact CD2-CG 4.01Å; F573-L596 HydrophobicContact CE2-CD2 3.78Å; F573-L596 HydrophobicContact CE2-CG 4.23Å; F573-M600 HydrophobicContact CB-CE 3.98Å; F573-M600 HydrophobicContact CB-CG 4.28Å; F573-M600 HydrophobicContact CB-SD 4.12Å; F573-M600 HydrophobicContact CD1-CG 4.29Å; F573-M600 HydrophobicContact CD2-CG 4.43Å |
| 574 | K | 88.6 | Confident | 88.2 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.5 | 175.5 | 165.6 | -177.3 | 172.3 | 0 | 112.1 | Y570 K571 L572 F577 F578 M600 L667 | Y570-K574 HydrophobicContact CE1-CB 4.4Å; Y570-K574 HydrophobicContact CE1-CD 4.08Å; Y570-K574 WeakPolarHBondContact O-CB 3.42Å; Y570-K574 PolarHBondContact O-N 2.86Å; K571-K574 PolarHBondContact O-N 3.39Å; L572-K574 VanDerWaalsContact C-N 3.31Å; L572-K574 PolarHBondContact O-N 2.96Å; K574-F577 PolarHBondContact O-N 3.14Å; K574-F578 HydrophobicContact CG-CD2 4.32Å; K574-F578 HydrophobicContact CG-CE2 4.03Å; K574-F578 WeakPolarHBondContact O-CD2 3.41Å; K574-F578 PolarHBondContact O-N 3.08Å; K574-F578 VanDerWaalsContact O-N 3.09Å; K574-M600 HydrophobicContact CB-CE 4.44Å; K574-L667 HydrophobicContact CB-CD2 4.1Å; K574-L667 HydrophobicContact CD-CD2 3.4Å; K574-L667 VanDerWaalsContact CE-CD2 3.45Å; K574-L667 HydrophobicContact CG-CD2 3.41Å; K574-L667 VanDerWaalsContact CG-CD2 3.41Å |
| 575 | Q | 86.8 | Confident | 88.5 | Confident | 134 Ų | 134 | 46 Ų | 46 | 63% | 0.626 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.3 | -43.4 | 175.4 | -177.5 | 176.3 | -9.5 | 0 | 0 | 111.4 | K571 L572 F578 L579 | K571-Q575 PolarHBondContact O-N 3.22Å; L572-Q575 PolarHBondContact O-N 3.23Å; Q575-F578 WeakPolarHBondContact O-CB 3.45Å; Q575-F578 PolarHBondContact O-N 3.13Å; Q575-L579 HydrophobicContact CG-CD1 4.48Å; Q575-L579 WeakPolarHBondContact O-CG 3.5Å; Q575-L579 PolarHBondContact O-N 3.35Å |
| 576 | V | 87.2 | Confident | 88.5 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | W548 L572 F573 F578 L579 Y580 L584 | W548-V576 HydrophobicContact CD2-CB 4.43Å; W548-V576 HydrophobicContact CD2-CG1 3.56Å; W548-V576 HydrophobicContact CD2-CG2 4.03Å; W548-V576 VanDerWaalsContact CE2-CG2 3.48Å; W548-V576 HydrophobicContact CE3-CG1 3.88Å; W548-V576 HydrophobicContact CE3-CG2 4.39Å; W548-V576 HydrophobicContact CG-CG1 3.85Å; W548-V576 HydrophobicContact CH2-CG2 3.77Å; W548-V576 HydrophobicContact CZ2-CB 4.35Å; W548-V576 HydrophobicContact CZ2-CG1 4.33Å; W548-V576 HydrophobicContact CZ2-CG2 3.33Å; W548-V576 VanDerWaalsContact CZ2-CG2 3.45Å; W548-V576 HydrophobicContact CZ3-CG1 4.42Å; W548-V576 HydrophobicContact CZ3-CG2 4.26Å; L572-V576 HydrophobicContact CD2-CG2 4.13Å; L572-V576 WeakPolarHBondContact O-CG2 3.34Å; L572-V576 PolarHBondContact O-N 3.23Å; F573-V576 PolarHBondContact O-N 2.9Å; V576-F578 VanDerWaalsContact C-N 3.25Å; V576-F578 PolarHBondContact O-N 2.93Å; V576-L579 PolarHBondContact O-N 2.95Å; V576-L579 VanDerWaalsContact O-N 3.14Å; V576-Y580 HydrophobicContact CG1-CD2 4.47Å; V576-Y580 PolarHBondContact O-N 3.17Å; V576-L584 HydrophobicContact CB-CD2 4.21Å; V576-L584 HydrophobicContact CG1-CB 4.28Å; V576-L584 HydrophobicContact CG1-CD1 4.33Å; V576-L584 HydrophobicContact CG1-CD2 4.03Å; V576-L584 HydrophobicContact CG1-CG 4.38Å |
| 577 | F | 88.7 | Confident | 88.4 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.044 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -33.9 | 177 | -172.8 | -95.5 | 0 | 0 | 0 | 112.2 | F573 K574 L579 P581 L584 T585 M600 A604 Y607 L667 | F573-F577 VanDerWaalsContact O-CB 3.31Å; F573-F577 WeakPolarHBondContact O-CB 3.24Å; F573-F577 PolarHBondContact O-N 3.27Å; K574-F577 PolarHBondContact O-N 3.14Å; F577-L579 VanDerWaalsContact C-N 3.35Å; F577-P581 HydrophobicContact CD2-CB 4.32Å; F577-P581 HydrophobicContact CE1-CB 4.36Å; F577-P581 HydrophobicContact CE2-CB 4.08Å; F577-P581 HydrophobicContact CZ-CB 4.18Å; F577-P581 WeakPolarHBondContact O-CA 3.4Å; F577-P581 VanDerWaalsContact O-CB 3.3Å; F577-P581 WeakPolarHBondContact O-CB 3.39Å; F577-P581 VanDerWaalsContact O-CD 3.26Å; F577-P581 WeakPolarHBondContact O-CD 3.32Å; F577-L584 HydrophobicContact CB-CD2 3.81Å; F577-L584 HydrophobicContact CD2-CD2 4.24Å; F577-L584 HydrophobicContact CG-CD2 4.47Å; F577-T585 HydrophobicContact CD2-CG2 4.14Å; F577-T585 HydrophobicContact CE2-CG2 3.57Å; F577-M600 HydrophobicContact CB-CE 3.76Å; F577-M600 HydrophobicContact CD2-CE 3.85Å; F577-M600 HydrophobicContact CG-CE 3.88Å; F577-A604 HydrophobicContact CE2-CB 3.81Å; F577-A604 HydrophobicContact CZ-CB 4.28Å; F577-Y607 HydrophobicContact CE1-CD2 4.42Å; F577-Y607 HydrophobicContact CE1-CG 4.28Å; F577-Y607 HydrophobicContact CZ-CD1 4.11Å; F577-Y607 AromaticContact CZ-CG 3.98Å; F577-Y607 HydrophobicContact CZ-CG 3.98Å; F577-L667 HydrophobicContact CB-CD1 4.46Å; F577-L667 HydrophobicContact CD1-CD1 3.69Å; F577-L667 HydrophobicContact CE1-CD1 3.73Å; F577-L667 HydrophobicContact CG-CD1 3.94Å; F577-L667 HydrophobicContact CZ-CD1 4.48Å |
| 578 | F | 84.2 | Confident | 88.5 | Confident | 111 Ų | 111 | 38.3 Ų | 38.3 | 49% | 0.487 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.9 | -31 | 174.5 | -129.1 | -77.7 | 0 | 0 | 0 | 113.2 | K574 Q575 V576 L667 P670 | K574-F578 HydrophobicContact CG-CD2 4.32Å; K574-F578 HydrophobicContact CG-CE2 4.03Å; K574-F578 WeakPolarHBondContact O-CD2 3.41Å; K574-F578 PolarHBondContact O-N 3.08Å; K574-F578 VanDerWaalsContact O-N 3.09Å; Q575-F578 WeakPolarHBondContact O-CB 3.45Å; Q575-F578 PolarHBondContact O-N 3.13Å; V576-F578 VanDerWaalsContact C-N 3.25Å; V576-F578 PolarHBondContact O-N 2.93Å; F578-L667 HydrophobicContact CE1-CD2 4.04Å; F578-L667 HydrophobicContact CE2-CD2 4.19Å; F578-L667 HydrophobicContact CZ-CD2 3.53Å; F578-P670 HydrophobicContact CD2-CG 4.14Å; F578-P670 HydrophobicContact CE1-CB 4.33Å; F578-P670 HydrophobicContact CE1-CG 4.36Å; F578-P670 HydrophobicContact CE2-CB 3.74Å; F578-P670 HydrophobicContact CE2-CG 3.53Å; F578-P670 HydrophobicContact CZ-CB 3.47Å; F578-P670 VanDerWaalsContact CZ-CB 3.47Å; F578-P670 HydrophobicContact CZ-CG 3.66Å |
| 579 | L | 83.9 | Confident | 88.4 | Confident | 102.5 Ų | 102.5 | 35.4 Ų | 35.4 | 54% | 0.537 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -88.7 | -46.9 | -178.5 | -65.8 | 169.8 | 0 | 0 | 0 | 112.3 | Q575 V576 F577 P581 | Q575-L579 HydrophobicContact CG-CD1 4.48Å; Q575-L579 WeakPolarHBondContact O-CG 3.5Å; Q575-L579 PolarHBondContact O-N 3.35Å; V576-L579 PolarHBondContact O-N 2.95Å; V576-L579 VanDerWaalsContact O-N 3.14Å; F577-L579 VanDerWaalsContact C-N 3.35Å; L579-P581 VanDerWaalsContact C-CD 3.49Å |
| 580 | Y | 86.8 | Confident | 88.2 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | trans | -133.7 | 60 | -170.2 | -49.7 | -56.5 | 0 | 0 | 0 | 111.8 | F537 V545 V576 D582 I583 L584 | F537-Y580 HydrophobicContact CE1-CD1 4.42Å; V545-Y580 HydrophobicContact CG2-CD1 3.83Å; V545-Y580 HydrophobicContact CG2-CD2 4.26Å; V545-Y580 HydrophobicContact CG2-CE1 3.53Å; V545-Y580 HydrophobicContact CG2-CE2 3.99Å; V545-Y580 HydrophobicContact CG2-CG 4.19Å; V576-Y580 HydrophobicContact CG1-CD2 4.47Å; V576-Y580 PolarHBondContact O-N 3.17Å; Y580-D582 VanDerWaalsContact C-N 3.3Å; Y580-D582 PolarHBondContact O-N 3.24Å; Y580-I583 HydrophobicContact CD1-CD1 4.28Å; Y580-I583 HydrophobicContact CG-CD1 4.14Å; Y580-I583 PolarHBondContact O-N 3.39Å; Y580-L584 PolarHBondContact O-N 3.38Å | ||
| 581 | P | 87.8 | Confident | 87.9 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 10% | 0.104 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | -174.5 | 22 | -31.5 | 0 | 0 | 0 | 112.6 | F577 L579 I583 T585 Y607 F608 | F577-P581 HydrophobicContact CD2-CB 4.32Å; F577-P581 HydrophobicContact CE1-CB 4.36Å; F577-P581 HydrophobicContact CE2-CB 4.08Å; F577-P581 HydrophobicContact CZ-CB 4.18Å; F577-P581 WeakPolarHBondContact O-CA 3.4Å; F577-P581 VanDerWaalsContact O-CB 3.3Å; F577-P581 WeakPolarHBondContact O-CB 3.39Å; F577-P581 VanDerWaalsContact O-CD 3.26Å; F577-P581 WeakPolarHBondContact O-CD 3.32Å; L579-P581 VanDerWaalsContact C-CD 3.49Å; P581-I583 VanDerWaalsContact C-N 3.29Å; P581-I583 PolarHBondContact O-N 3.27Å; P581-T585 VanDerWaalsContact O-CB 3.22Å; P581-T585 WeakPolarHBondContact O-CB 3.43Å; P581-T585 WeakPolarHBondContact O-CG2 3.46Å; P581-T585 PolarHBondContact O-N 3.15Å; P581-T585 VanDerWaalsContact O-N 3.09Å; P581-T585 PolarHBondContact O-OG1 3.13Å; P581-Y607 HydrophobicContact CB-CD1 4.38Å; P581-Y607 HydrophobicContact CB-CE1 3.8Å; P581-Y607 HydrophobicContact CG-CE1 3.98Å; P581-F608 HydrophobicContact CB-CZ 4.27Å |
| 582 | D | 88.6 | Confident | 87.7 | Confident | 29.5 Ų | 29.5 | 31.9 Ų | 31.9 | 16% | 0.158 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | -177.4 | -61.3 | 2.9 | 0 | 0 | 0 | 111.9 | I535 Y580 T585 A586 F608 N614 L618 | I535-D582 HydrophobicContact CD1-CB 3.92Å; Y580-D582 VanDerWaalsContact C-N 3.3Å; Y580-D582 PolarHBondContact O-N 3.24Å; D582-T585 PolarHBondContact O-OG1 3.25Å; D582-T585 VanDerWaalsContact O-OG1 3.1Å; D582-A586 WeakPolarHBondContact O-CB 3.3Å; D582-A586 PolarHBondContact O-N 2.77Å; D582-A586 VanDerWaalsContact O-N 3.13Å; D582-F608 HydrophobicContact CB-CZ 4.47Å; D582-F608 WeakPolarHBondContact OD1-CE1 3.44Å; D582-F608 VanDerWaalsContact OD1-CZ 3.26Å; D582-F608 WeakPolarHBondContact OD1-CZ 3.23Å; D582-N614 WeakPolarHBondContact OD2-CB 3.46Å; D582-N614 PolarHBondContact OD2-ND2 3.22Å; D582-L618 HydrophobicContact CB-CD1 4.23Å |
| 583 | I | 88.6 | Confident | 87.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.6 | -49.7 | -176.3 | -58 | 171.5 | 0 | 0 | 0 | 110.4 | I530 I535 F537 V545 W548 K549 Y580 P581 T585 A586 T587 | I530-I583 HydrophobicContact CD1-CG1 4.21Å; I530-I583 HydrophobicContact CD1-CG2 3.97Å; I535-I583 HydrophobicContact CD1-CD1 4.34Å; I535-I583 HydrophobicContact CD1-CG1 3.98Å; F537-I583 HydrophobicContact CE1-CD1 3.63Å; F537-I583 HydrophobicContact CE2-CD1 4.38Å; F537-I583 HydrophobicContact CZ-CD1 3.43Å; F537-I583 VanDerWaalsContact CZ-CD1 3.48Å; F537-I583 HydrophobicContact CZ-CG1 4.18Å; V545-I583 HydrophobicContact CB-CD1 4.34Å; V545-I583 HydrophobicContact CG1-CD1 3.42Å; V545-I583 HydrophobicContact CG2-CD1 4.12Å; W548-I583 HydrophobicContact CB-CG2 4.31Å; W548-I583 WeakPolarHBondContact O-CG2 3.39Å; K549-I583 HydrophobicContact CG-CG2 4.04Å; Y580-I583 HydrophobicContact CD1-CD1 4.28Å; Y580-I583 HydrophobicContact CG-CD1 4.14Å; Y580-I583 PolarHBondContact O-N 3.39Å; P581-I583 VanDerWaalsContact C-N 3.29Å; P581-I583 PolarHBondContact O-N 3.27Å; I583-T585 PolarHBondContact O-N 3.18Å; I583-A586 PolarHBondContact O-N 3.01Å; I583-T587 WeakPolarHBondContact O-CG2 3.36Å; I583-T587 PolarHBondContact O-N 3.04Å; I583-T587 PolarHBondContact O-OG1 3.25Å |
| 584 | L | 90 | Very high | 87 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -34.2 | 179.7 | -176.9 | 63.7 | 0 | 0 | 0 | 111.1 | W548 F573 V576 F577 Y580 T587 L588 M600 | W548-L584 HydrophobicContact CE3-CD1 4.09Å; W548-L584 HydrophobicContact CZ3-CD1 4.14Å; F573-L584 HydrophobicContact CB-CD2 4.47Å; F573-L584 HydrophobicContact CD1-CD1 3.88Å; F573-L584 HydrophobicContact CD1-CD2 4.21Å; F573-L584 HydrophobicContact CD1-CG 4.49Å; F573-L584 HydrophobicContact CE1-CD1 3.99Å; F573-L584 WeakPolarHBondContact O-CD2 3.49Å; V576-L584 HydrophobicContact CB-CD2 4.21Å; V576-L584 HydrophobicContact CG1-CB 4.28Å; V576-L584 HydrophobicContact CG1-CD1 4.33Å; V576-L584 HydrophobicContact CG1-CD2 4.03Å; V576-L584 HydrophobicContact CG1-CG 4.38Å; F577-L584 HydrophobicContact CB-CD2 3.81Å; F577-L584 HydrophobicContact CD2-CD2 4.24Å; F577-L584 HydrophobicContact CG-CD2 4.47Å; Y580-L584 PolarHBondContact O-N 3.38Å; L584-T587 WeakPolarHBondContact CA-OG1 3.3Å; L584-T587 PolarHBondContact O-N 2.9Å; L584-T587 PolarHBondContact O-OG1 3.29Å; L584-T587 VanDerWaalsContact O-OG1 3.05Å; L584-L588 HydrophobicContact CD1-CD1 4.22Å; L584-L588 HydrophobicContact CD1-CG 4.16Å; L584-L588 HydrophobicContact CD2-CD1 4.48Å; L584-L588 HydrophobicContact CG-CD1 3.94Å; L584-L588 HydrophobicContact CG-CG 4.35Å; L584-L588 VanDerWaalsContact O-CB 3.24Å; L584-L588 WeakPolarHBondContact O-CB 3.25Å; L584-L588 WeakPolarHBondContact O-CD1 3.36Å; L584-L588 WeakPolarHBondContact O-CG 3.28Å; L584-L588 PolarHBondContact O-N 3.19Å; L584-M600 HydrophobicContact CD2-CE 4.32Å |
| 585 | T | 89.9 | Confident | 86.9 | Confident | 2.5 Ų | 2.5 | 33.7 Ų | 33.7 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.7 | -43.2 | 177.1 | -2 | 0 | 0 | 0 | 0 | 111.7 | F577 P581 D582 I583 T587 L588 L589 L601 A604 F608 | F577-T585 HydrophobicContact CD2-CG2 4.14Å; F577-T585 HydrophobicContact CE2-CG2 3.57Å; P581-T585 VanDerWaalsContact O-CB 3.22Å; P581-T585 WeakPolarHBondContact O-CB 3.43Å; P581-T585 WeakPolarHBondContact O-CG2 3.46Å; P581-T585 PolarHBondContact O-N 3.15Å; P581-T585 VanDerWaalsContact O-N 3.09Å; P581-T585 PolarHBondContact O-OG1 3.13Å; D582-T585 PolarHBondContact O-OG1 3.25Å; D582-T585 VanDerWaalsContact O-OG1 3.1Å; I583-T585 PolarHBondContact O-N 3.18Å; T585-T587 VanDerWaalsContact C-N 3.31Å; T585-T587 PolarHBondContact O-N 3.37Å; T585-L588 PolarHBondContact O-N 3.17Å; T585-L589 HydrophobicContact CG2-CD1 4.4Å; T585-L589 VanDerWaalsContact O-CG 3.27Å; T585-L589 WeakPolarHBondContact O-CG 3.47Å; T585-L589 PolarHBondContact O-N 3.08Å; T585-L601 HydrophobicContact CG2-CD2 4.29Å; T585-A604 HydrophobicContact CG2-CB 3.5Å; T585-A604 WeakPolarHBondContact OG1-CB 3.42Å; T585-F608 HydrophobicContact CG2-CD2 4.21Å; T585-F608 HydrophobicContact CG2-CE2 3.9Å; T585-F608 VanDerWaalsContact OG1-CE2 3.3Å; T585-F608 WeakPolarHBondContact OG1-CE2 3.18Å |
| 586 | A | 88 | Confident | 87 | Confident | 7.5 Ų | 7.5 | 27.3 Ų | 27.3 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -40.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | V528 L533 D582 I583 L618 | V528-A586 HydrophobicContact CG1-CB 3.9Å; L533-A586 HydrophobicContact CD1-CB 4.23Å; D582-A586 WeakPolarHBondContact O-CB 3.3Å; D582-A586 PolarHBondContact O-N 2.77Å; D582-A586 VanDerWaalsContact O-N 3.13Å; I583-A586 PolarHBondContact O-N 3.01Å; A586-L618 HydrophobicContact CB-CD2 3.93Å |
| 587 | T | 88 | Confident | 87.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.7 | -43 | 176.3 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | V528 W548 K549 I583 L584 T585 L589 E590 T591 | V528-T587 HydrophobicContact CB-CG2 4.13Å; V528-T587 HydrophobicContact CG2-CG2 3.71Å; W548-T587 WeakPolarHBondContact O-CG2 3.33Å; W548-T587 PolarHBondContact O-OG1 3.15Å; K549-T587 WeakPolarHBondContact O-CG2 3.31Å; I583-T587 WeakPolarHBondContact O-CG2 3.36Å; I583-T587 PolarHBondContact O-N 3.04Å; I583-T587 PolarHBondContact O-OG1 3.25Å; L584-T587 WeakPolarHBondContact CA-OG1 3.3Å; L584-T587 PolarHBondContact O-N 2.9Å; L584-T587 PolarHBondContact O-OG1 3.29Å; L584-T587 VanDerWaalsContact O-OG1 3.05Å; T585-T587 VanDerWaalsContact C-N 3.31Å; T585-T587 PolarHBondContact O-N 3.37Å; T587-L589 PolarHBondContact O-N 3.43Å; T587-E590 PolarHBondContact O-N 3.28Å; T587-T591 WeakPolarHBondContact O-CG2 3.33Å; T587-T591 PolarHBondContact O-N 3.29Å; T587-T591 VanDerWaalsContact O-N 3.13Å |
| 588 | L | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.5 | -36.7 | 175 | -75.9 | 169.3 | 0 | 0 | 0 | 112 | V554 L558 F573 L584 T585 E590 T591 R597 M600 L601 | V554-L588 HydrophobicContact CG1-CD2 3.89Å; L558-L588 HydrophobicContact CD1-CD2 4.27Å; L558-L588 HydrophobicContact CD2-CD2 4.47Å; F573-L588 HydrophobicContact CD1-CD2 4.41Å; F573-L588 HydrophobicContact CE1-CD2 3.93Å; L584-L588 HydrophobicContact CD1-CD1 4.22Å; L584-L588 HydrophobicContact CD1-CG 4.16Å; L584-L588 HydrophobicContact CD2-CD1 4.48Å; L584-L588 HydrophobicContact CG-CD1 3.94Å; L584-L588 HydrophobicContact CG-CG 4.35Å; L584-L588 VanDerWaalsContact O-CB 3.24Å; L584-L588 WeakPolarHBondContact O-CB 3.25Å; L584-L588 WeakPolarHBondContact O-CD1 3.36Å; L584-L588 WeakPolarHBondContact O-CG 3.28Å; L584-L588 PolarHBondContact O-N 3.19Å; T585-L588 PolarHBondContact O-N 3.17Å; L588-E590 VanDerWaalsContact C-N 3.25Å; L588-E590 PolarHBondContact O-N 3.01Å; L588-T591 WeakPolarHBondContact CA-OG1 3.42Å; L588-T591 PolarHBondContact O-N 3.43Å; L588-T591 PolarHBondContact O-OG1 3.35Å; L588-R597 HydrophobicContact CD2-CB 4.2Å; L588-R597 HydrophobicContact CD2-CG 4.1Å; L588-R597 VanDerWaalsContact O-CZ 3.25Å; L588-R597 PolarHBondContact O-NE 3.4Å; L588-R597 PolarHBondContact O-NH2 3.38Å; L588-M600 HydrophobicContact CD1-CB 3.63Å; L588-M600 HydrophobicContact CD2-CB 4.46Å; L588-L601 HydrophobicContact CB-CD1 4.49Å; L588-L601 HydrophobicContact CB-CD2 3.67Å; L588-L601 HydrophobicContact CB-CG 4Å; L588-L601 HydrophobicContact CD1-CD2 4.48Å |
| 589 | L | 87.5 | Confident | 87.5 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -28.9 | 176.6 | -71.9 | 174.3 | 0 | 0 | 0 | 113.6 | T585 T587 R597 L601 F605 L618 T621 A622 L631 Q639 | T585-L589 HydrophobicContact CG2-CD1 4.4Å; T585-L589 VanDerWaalsContact O-CG 3.27Å; T585-L589 WeakPolarHBondContact O-CG 3.47Å; T585-L589 PolarHBondContact O-N 3.08Å; T587-L589 PolarHBondContact O-N 3.43Å; L589-R597 PolarHBondContact O-NH2 3.09Å; L589-L601 HydrophobicContact CD2-CD1 4.3Å; L589-L601 HydrophobicContact CD2-CD2 3.84Å; L589-L601 HydrophobicContact CG-CD2 4.1Å; L589-F605 HydrophobicContact CD2-CE1 4.05Å; L589-F605 HydrophobicContact CD2-CZ 4.01Å; L589-L618 WeakPolarHBondContact CD1-O 3.46Å; L589-T621 WeakPolarHBondContact CD1-OG1 3.42Å; L589-A622 HydrophobicContact CD1-CB 4.16Å; L589-A622 HydrophobicContact CD2-CB 3.74Å; L589-L631 WeakPolarHBondContact O-CD1 3.35Å; L589-Q639 HydrophobicContact CD2-CG 4.33Å; L589-Q639 PolarHBondContact O-OE1 2.86Å |
| 590 | E | 85.8 | Confident | 87.9 | Confident | 17 Ų | 17 | 21 Ų | 21 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -96.6 | -6.1 | 179.2 | -58.4 | -160.1 | 174 | 0 | 0 | 114.3 | V528 I551 T587 L588 G626 S628 L630 | V528-E590 HydrophobicContact CG2-CB 4.19Å; V528-E590 HydrophobicContact CG2-CG 4.07Å; I551-E590 HydrophobicContact CD1-CB 3.96Å; I551-E590 WeakPolarHBondContact CD1-OE2 3.43Å; I551-E590 HydrophobicContact CG1-CB 4.4Å; T587-E590 PolarHBondContact O-N 3.28Å; L588-E590 VanDerWaalsContact C-N 3.25Å; L588-E590 PolarHBondContact O-N 3.01Å; E590-G626 WeakPolarHBondContact OE1-CA 3.5Å; E590-S628 PolarHBondContact OE1-OG 3.27Å; E590-S628 VanDerWaalsContact OE2-CB 3.24Å; E590-S628 WeakPolarHBondContact OE2-CB 3.48Å; E590-S628 PolarHBondContact OE2-OG 3.35Å; E590-L630 WeakPolarHBondContact O-CD1 3.44Å |
| 591 | T | 86.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -80.3 | 159.3 | 174.7 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | I551 V554 Q555 L558 T587 L588 R597 L631 | I551-T591 HydrophobicContact CG2-CG2 3.95Å; V554-T591 HydrophobicContact CB-CG2 4.2Å; V554-T591 HydrophobicContact CG1-CG2 3.87Å; Q555-T591 HydrophobicContact CB-CG2 4.47Å; L558-T591 HydrophobicContact CD1-CG2 4.05Å; T587-T591 WeakPolarHBondContact O-CG2 3.33Å; T587-T591 PolarHBondContact O-N 3.29Å; T587-T591 VanDerWaalsContact O-N 3.13Å; L588-T591 WeakPolarHBondContact CA-OG1 3.42Å; L588-T591 PolarHBondContact O-N 3.43Å; L588-T591 PolarHBondContact O-OG1 3.35Å; T591-R597 PolarHBondContact O-NE 3.08Å; T591-R597 VanDerWaalsContact O-NE 3.08Å; T591-R597 PolarHBondContact O-NH2 3.15Å; T591-R597 WeakPolarHBondContact OG1-CD 3.26Å; T591-R597 PolarHBondContact OG1-NE 2.81Å; T591-L631 WeakPolarHBondContact O-CD2 3.49Å |
| 592 | N | 84.4 | Confident | 88.1 | Confident | 76.5 Ų | 76.5 | 18.7 Ų | 18.7 | 41% | 0.409 | 11% | 0.111 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 151.9 | 176.5 | -63 | -22 | 0 | 0 | 0 | 111.9 | Q555 G594 R597 | Q555-N592 VanDerWaalsContact OE1-CB 3.31Å; N592-G594 PolarHBondContact O-N 3.16Å; N592-R597 WeakPolarHBondContact O-CD 3.21Å |
| 593 | I | 81.5 | Confident | 88 | Confident | 47.5 Ų | 47.5 | 18.8 Ų | 18.8 | 24% | 0.244 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 125.8 | -179.2 | -60.1 | -166.9 | 0 | 0 | 0 | 112 | N598 L631 D635 Q638 | I593-N598 WeakPolarHBondContact CG2-ND2 3.13Å; I593-L631 HydrophobicContact CG1-CD2 4.27Å; I593-D635 VanDerWaalsContact CD1-CA 3.4Å; I593-D635 HydrophobicContact CD1-CB 3.52Å; I593-D635 WeakPolarHBondContact CD1-OD1 3.42Å; I593-D635 HydrophobicContact CG1-CB 3.95Å; I593-Q638 HydrophobicContact CD1-CB 3.79Å; I593-Q638 HydrophobicContact CD1-CG 4.47Å |
| 594 | G | 83.8 | Confident | 88 | Confident | 12 Ų | 12 | 18.7 Ų | 18.7 | 12% | 0.124 | 11% | 0.109 | C | C | . | . | trans | -147.6 | 167 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N592 R597 N598 | N592-G594 PolarHBondContact O-N 3.16Å; G594-R597 PolarHBondContact O-N 3.36Å; G594-N598 VanDerWaalsContact O-CG 3.26Å; G594-N598 PolarHBondContact O-N 3.19Å; G594-N598 PolarHBondContact O-ND2 2.93Å | ||
| 595 | T | 86.9 | Confident | 88.1 | Confident | 79.5 Ų | 79.5 | 18.8 Ų | 18.8 | 49% | 0.488 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -63.3 | -51.8 | -173.9 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | D562 R597 N598 V599 | D562-T595 WeakPolarHBondContact OD1-CG2 3.36Å; D562-T595 PolarHBondContact OD1-OG1 3Å; D562-T595 VanDerWaalsContact OD1-OG1 3.05Å; T595-R597 VanDerWaalsContact C-N 3.32Å; T595-R597 PolarHBondContact O-N 3.23Å; T595-N598 PolarHBondContact O-N 2.91Å; T595-V599 WeakPolarHBondContact O-CG2 3.45Å; T595-V599 PolarHBondContact O-N 3.16Å |
| 596 | L | 89.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 178.7 | -179.7 | 57.3 | 0 | 0 | 0 | 112.4 | L558 S561 Y566 V569 Y570 F573 N598 V599 M600 | L558-L596 HydrophobicContact CD2-CB 4.03Å; L558-L596 HydrophobicContact CD2-CD2 4.36Å; L558-L596 HydrophobicContact CD2-CG 4.16Å; S561-L596 WeakPolarHBondContact OG-CB 3.22Å; S561-L596 WeakPolarHBondContact OG-CD2 3.41Å; Y566-L596 HydrophobicContact CD2-CB 4.2Å; Y566-L596 HydrophobicContact CD2-CD1 4.46Å; Y566-L596 HydrophobicContact CE2-CB 3.76Å; Y566-L596 HydrophobicContact CE2-CD1 3.91Å; Y566-L596 HydrophobicContact CE2-CG 4.37Å; V569-L596 HydrophobicContact CB-CD2 3.91Å; V569-L596 HydrophobicContact CG1-CD2 3.5Å; V569-L596 VanDerWaalsContact CG1-CD2 3.48Å; Y570-L596 HydrophobicContact CD2-CD1 3.6Å; Y570-L596 HydrophobicContact CG-CD1 4.22Å; F573-L596 HydrophobicContact CD2-CD2 4.06Å; F573-L596 HydrophobicContact CD2-CG 4.01Å; F573-L596 HydrophobicContact CE2-CD2 3.78Å; F573-L596 HydrophobicContact CE2-CG 4.23Å; L596-N598 VanDerWaalsContact C-N 3.35Å; L596-N598 PolarHBondContact O-N 2.87Å; L596-V599 PolarHBondContact O-N 3.47Å; L596-M600 HydrophobicContact CD1-CE 3.85Å; L596-M600 HydrophobicContact CD1-CG 4.11Å; L596-M600 HydrophobicContact CG-CG 4.4Å; L596-M600 WeakPolarHBondContact O-CB 3.41Å; L596-M600 WeakPolarHBondContact O-CG 3.39Å; L596-M600 PolarHBondContact O-N 2.72Å |
| 597 | R | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57 | -50.1 | 175.5 | 176.7 | -169.7 | -179.5 | -93.1 | 4.4 | 111 | L558 L588 L589 T591 N592 G594 T595 V599 M600 L601 | L558-R597 HydrophobicContact CD1-CB 4.06Å; L558-R597 HydrophobicContact CD1-CG 4.48Å; L558-R597 HydrophobicContact CD2-CB 3.87Å; L588-R597 HydrophobicContact CD2-CB 4.2Å; L588-R597 HydrophobicContact CD2-CG 4.1Å; L588-R597 VanDerWaalsContact O-CZ 3.25Å; L588-R597 PolarHBondContact O-NE 3.4Å; L588-R597 PolarHBondContact O-NH2 3.38Å; L589-R597 PolarHBondContact O-NH2 3.09Å; T591-R597 PolarHBondContact O-NE 3.08Å; T591-R597 VanDerWaalsContact O-NE 3.08Å; T591-R597 PolarHBondContact O-NH2 3.15Å; T591-R597 WeakPolarHBondContact OG1-CD 3.26Å; T591-R597 PolarHBondContact OG1-NE 2.81Å; N592-R597 WeakPolarHBondContact O-CD 3.21Å; G594-R597 PolarHBondContact O-N 3.36Å; T595-R597 VanDerWaalsContact C-N 3.32Å; T595-R597 PolarHBondContact O-N 3.23Å; R597-V599 VanDerWaalsContact C-N 3.32Å; R597-V599 PolarHBondContact O-N 3.13Å; R597-M600 PolarHBondContact O-N 3.12Å; R597-L601 HydrophobicContact CG-CD1 3.91Å; R597-L601 HydrophobicContact CG-CG 4.35Å; R597-L601 VanDerWaalsContact CZ-CD1 3.48Å; R597-L601 VanDerWaalsContact NH1-CD1 3.35Å; R597-L601 VanDerWaalsContact O-CB 3.32Å; R597-L601 WeakPolarHBondContact O-CB 3.35Å; R597-L601 WeakPolarHBondContact O-CG 3.47Å; R597-L601 PolarHBondContact O-N 3.1Å |
| 598 | N | 89.9 | Confident | 87.7 | Confident | 47 Ų | 47 | 20.8 Ų | 20.8 | 25% | 0.251 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.6 | -34.1 | -177.4 | -69.8 | -9.2 | 0 | 0 | 0 | 111.9 | I593 G594 T595 L596 G602 L642 | I593-N598 WeakPolarHBondContact CG2-ND2 3.13Å; G594-N598 VanDerWaalsContact O-CG 3.26Å; G594-N598 PolarHBondContact O-N 3.19Å; G594-N598 PolarHBondContact O-ND2 2.93Å; T595-N598 PolarHBondContact O-N 2.91Å; L596-N598 VanDerWaalsContact C-N 3.35Å; L596-N598 PolarHBondContact O-N 2.87Å; N598-G602 PolarHBondContact O-N 3.19Å; N598-L642 HydrophobicContact CB-CD2 4.02Å; N598-L642 WeakPolarHBondContact O-CD2 3.27Å |
| 599 | V | 89.3 | Confident | 87.5 | Confident | 52.5 Ų | 52.5 | 20.9 Ų | 20.9 | 32% | 0.318 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -64.8 | -48.1 | 172.4 | 173 | 0 | 0 | 0 | 0 | 111 | Y570 T595 L596 R597 L601 G602 H603 | Y570-V599 HydrophobicContact CE2-CG1 4.24Å; T595-V599 WeakPolarHBondContact O-CG2 3.45Å; T595-V599 PolarHBondContact O-N 3.16Å; L596-V599 PolarHBondContact O-N 3.47Å; R597-V599 VanDerWaalsContact C-N 3.32Å; R597-V599 PolarHBondContact O-N 3.13Å; V599-L601 PolarHBondContact O-N 2.96Å; V599-G602 PolarHBondContact O-N 3.36Å; V599-H603 WeakPolarHBondContact CG1-NE2 3.35Å; V599-H603 PolarHBondContact O-CD2 2.97Å; V599-H603 VanDerWaalsContact O-CG 3.31Å; V599-H603 PolarHBondContact O-N 3.24Å; V599-H603 PolarHBondContact O-ND1 3.3Å |
| 600 | M | 90.7 | Very high | 87 | Confident | 2.5 Ų | 2.5 | 22.5 Ų | 22.5 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.6 | -72.7 | -60.9 | -120.8 | 0 | 0 | 112.5 | Y570 F573 K574 F577 L584 L588 L596 R597 G602 H603 A604 L667 | Y570-M600 HydrophobicContact CD2-CE 3.35Å; Y570-M600 HydrophobicContact CD2-SD 3.99Å; Y570-M600 HydrophobicContact CE2-CE 3.46Å; Y570-M600 VanDerWaalsContact CE2-CE 3.46Å; Y570-M600 HydrophobicContact CE2-SD 3.78Å; Y570-M600 HydrophobicContact CG-CE 3.91Å; F573-M600 HydrophobicContact CB-CE 3.98Å; F573-M600 HydrophobicContact CB-CG 4.28Å; F573-M600 HydrophobicContact CB-SD 4.12Å; F573-M600 HydrophobicContact CD1-CG 4.29Å; F573-M600 HydrophobicContact CD2-CG 4.43Å; K574-M600 HydrophobicContact CB-CE 4.44Å; F577-M600 HydrophobicContact CB-CE 3.76Å; F577-M600 HydrophobicContact CD2-CE 3.85Å; F577-M600 HydrophobicContact CG-CE 3.88Å; L584-M600 HydrophobicContact CD2-CE 4.32Å; L588-M600 HydrophobicContact CD1-CB 3.63Å; L588-M600 HydrophobicContact CD2-CB 4.46Å; L596-M600 HydrophobicContact CD1-CE 3.85Å; L596-M600 HydrophobicContact CD1-CG 4.11Å; L596-M600 HydrophobicContact CG-CG 4.4Å; L596-M600 WeakPolarHBondContact O-CB 3.41Å; L596-M600 WeakPolarHBondContact O-CG 3.39Å; L596-M600 PolarHBondContact O-N 2.72Å; R597-M600 PolarHBondContact O-N 3.12Å; M600-G602 VanDerWaalsContact C-N 3.35Å; M600-G602 PolarHBondContact O-N 3.47Å; M600-H603 PolarHBondContact O-N 3.24Å; M600-A604 VanDerWaalsContact O-CB 3.32Å; M600-A604 WeakPolarHBondContact O-CB 3.34Å; M600-A604 PolarHBondContact O-N 2.86Å; M600-L667 HydrophobicContact CE-CD1 4.22Å |
| 601 | L | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | 174.5 | -77.2 | 178.7 | 0 | 0 | 0 | 112.2 | T585 L588 L589 R597 V599 H603 A604 F605 L642 | T585-L601 HydrophobicContact CG2-CD2 4.29Å; L588-L601 HydrophobicContact CB-CD1 4.49Å; L588-L601 HydrophobicContact CB-CD2 3.67Å; L588-L601 HydrophobicContact CB-CG 4Å; L588-L601 HydrophobicContact CD1-CD2 4.48Å; L589-L601 HydrophobicContact CD2-CD1 4.3Å; L589-L601 HydrophobicContact CD2-CD2 3.84Å; L589-L601 HydrophobicContact CG-CD2 4.1Å; R597-L601 HydrophobicContact CG-CD1 3.91Å; R597-L601 HydrophobicContact CG-CG 4.35Å; R597-L601 VanDerWaalsContact CZ-CD1 3.48Å; R597-L601 VanDerWaalsContact NH1-CD1 3.35Å; R597-L601 VanDerWaalsContact O-CB 3.32Å; R597-L601 WeakPolarHBondContact O-CB 3.35Å; R597-L601 WeakPolarHBondContact O-CG 3.47Å; R597-L601 PolarHBondContact O-N 3.1Å; V599-L601 PolarHBondContact O-N 2.96Å; L601-H603 VanDerWaalsContact C-N 3.34Å; L601-H603 PolarHBondContact O-N 3.26Å; L601-A604 WeakPolarHBondContact O-CB 3.25Å; L601-A604 PolarHBondContact O-N 3.26Å; L601-F605 HydrophobicContact CB-CE2 4.09Å; L601-F605 HydrophobicContact CB-CZ 4.14Å; L601-F605 HydrophobicContact CD1-CZ 4.47Å; L601-F605 HydrophobicContact CD2-CE1 4.31Å; L601-F605 HydrophobicContact CD2-CZ 4.26Å; L601-F605 WeakPolarHBondContact O-CB 3.39Å; L601-F605 VanDerWaalsContact O-CD2 3.26Å; L601-F605 WeakPolarHBondContact O-CD2 3.34Å; L601-F605 WeakPolarHBondContact O-CG 3.32Å; L601-F605 PolarHBondContact O-N 3.35Å; L601-L642 HydrophobicContact CB-CD2 3.82Å |
| 602 | G | 87.7 | Confident | 86.2 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 12% | 0.124 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N598 V599 M600 A604 F605 V606 | N598-G602 PolarHBondContact O-N 3.19Å; V599-G602 PolarHBondContact O-N 3.36Å; M600-G602 VanDerWaalsContact C-N 3.35Å; M600-G602 PolarHBondContact O-N 3.47Å; G602-A604 VanDerWaalsContact C-N 3.34Å; G602-A604 PolarHBondContact O-N 3.31Å; G602-F605 PolarHBondContact O-N 2.96Å; G602-V606 WeakPolarHBondContact O-CG2 3.37Å; G602-V606 PolarHBondContact O-N 3.06Å; G602-V606 VanDerWaalsContact O-N 3.14Å |
| 603 | H | 87 | Confident | 86 | Confident | 30.3333 Ų | 30.3333 | 30.9 Ų | 30.9 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.9 | -64.1 | 2 | 0 | 0 | 0 | 112 | V599 M600 L601 Y607 T666 L667 | V599-H603 WeakPolarHBondContact CG1-NE2 3.35Å; V599-H603 PolarHBondContact O-CD2 2.97Å; V599-H603 VanDerWaalsContact O-CG 3.31Å; V599-H603 PolarHBondContact O-N 3.24Å; V599-H603 PolarHBondContact O-ND1 3.3Å; M600-H603 PolarHBondContact O-N 3.24Å; L601-H603 VanDerWaalsContact C-N 3.34Å; L601-H603 PolarHBondContact O-N 3.26Å; H603-Y607 VanDerWaalsContact O-CB 3.28Å; H603-Y607 WeakPolarHBondContact O-CB 3.4Å; H603-Y607 PolarHBondContact O-N 3.07Å; H603-T666 WeakPolarHBondContact CE1-CB 3.46Å; H603-T666 WeakPolarHBondContact CE1-CG2 3.27Å; H603-T666 VanDerWaalsContact CG-OG1 3.31Å; H603-T666 WeakPolarHBondContact ND1-CB 3.36Å; H603-T666 WeakPolarHBondContact ND1-CG2 3.35Å; H603-T666 PolarHBondContact ND1-OG1 2.93Å; H603-L667 HydrophobicContact CB-CD1 3.89Å; H603-L667 HydrophobicContact CB-CG 4.4Å |
| 604 | A | 89.7 | Confident | 86.1 | Confident | 0.333333 Ų | 0.333333 | 28.9 Ų | 28.9 | 0% | 0.003 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F577 T585 M600 L601 G602 Y607 F608 | F577-A604 HydrophobicContact CE2-CB 3.81Å; F577-A604 HydrophobicContact CZ-CB 4.28Å; T585-A604 HydrophobicContact CG2-CB 3.5Å; T585-A604 WeakPolarHBondContact OG1-CB 3.42Å; M600-A604 VanDerWaalsContact O-CB 3.32Å; M600-A604 WeakPolarHBondContact O-CB 3.34Å; M600-A604 PolarHBondContact O-N 2.86Å; L601-A604 WeakPolarHBondContact O-CB 3.25Å; L601-A604 PolarHBondContact O-N 3.26Å; G602-A604 VanDerWaalsContact C-N 3.34Å; G602-A604 PolarHBondContact O-N 3.31Å; A604-Y607 CarbonylContact O-C 3.45Å; A604-Y607 WeakPolarHBondContact O-CB 3.37Å; A604-Y607 PolarHBondContact O-N 3.14Å; A604-F608 HydrophobicContact CB-CD2 4.44Å; A604-F608 HydrophobicContact CB-CE2 4.48Å; A604-F608 WeakPolarHBondContact O-CD2 3.39Å; A604-F608 PolarHBondContact O-N 3.06Å |
| 605 | F | 90.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 179.9 | -64.5 | -27.5 | 0 | 0 | 0 | 111.1 | L589 L601 G602 Y607 F608 L609 L619 A622 Q639 L642 F643 | L589-F605 HydrophobicContact CD2-CE1 4.05Å; L589-F605 HydrophobicContact CD2-CZ 4.01Å; L601-F605 HydrophobicContact CB-CE2 4.09Å; L601-F605 HydrophobicContact CB-CZ 4.14Å; L601-F605 HydrophobicContact CD1-CZ 4.47Å; L601-F605 HydrophobicContact CD2-CE1 4.31Å; L601-F605 HydrophobicContact CD2-CZ 4.26Å; L601-F605 WeakPolarHBondContact O-CB 3.39Å; L601-F605 VanDerWaalsContact O-CD2 3.26Å; L601-F605 WeakPolarHBondContact O-CD2 3.34Å; L601-F605 WeakPolarHBondContact O-CG 3.32Å; L601-F605 PolarHBondContact O-N 3.35Å; G602-F605 PolarHBondContact O-N 2.96Å; F605-Y607 VanDerWaalsContact C-N 3.26Å; F605-Y607 PolarHBondContact O-N 3.37Å; F605-F608 PolarHBondContact O-N 2.89Å; F605-F608 VanDerWaalsContact O-N 3.17Å; F605-L609 WeakPolarHBondContact O-CB 3.11Å; F605-L609 WeakPolarHBondContact O-CG 3.29Å; F605-L609 PolarHBondContact O-N 3.25Å; F605-L619 HydrophobicContact CD1-CD2 3.83Å; F605-L619 HydrophobicContact CE1-CD2 4.38Å; F605-A622 HydrophobicContact CD1-CB 4.47Å; F605-A622 HydrophobicContact CE1-CB 3.54Å; F605-A622 HydrophobicContact CZ-CB 3.86Å; F605-Q639 HydrophobicContact CZ-CG 4.39Å; F605-L642 HydrophobicContact CD2-CD2 4.5Å; F605-L642 HydrophobicContact CD2-CG 4.2Å; F605-L642 HydrophobicContact CE2-CB 4.37Å; F605-L642 HydrophobicContact CE2-CD2 3.98Å; F605-L642 HydrophobicContact CE2-CG 3.95Å; F605-F643 HydrophobicContact CB-CD2 4.3Å; F605-F643 HydrophobicContact CD1-CD2 4.27Å; F605-F643 HydrophobicContact CD2-CB 4.08Å; F605-F643 HydrophobicContact CD2-CD2 4.27Å; F605-F643 HydrophobicContact CE2-CB 3.94Å; F605-F643 AromaticContact CG-CD2 3.99Å; F605-F643 HydrophobicContact CG-CD2 4.03Å; F605-F643 HydrophobicContact CZ-CB 4.38Å |
| 606 | V | 86.1 | Confident | 86.1 | Confident | 5.66667 Ų | 5.66667 | 29.4 Ų | 29.4 | 3% | 0.034 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.9 | -40.2 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | G602 L609 Y650 | G602-V606 WeakPolarHBondContact O-CG2 3.37Å; G602-V606 PolarHBondContact O-N 3.06Å; G602-V606 VanDerWaalsContact O-N 3.14Å; V606-L609 PolarHBondContact O-N 2.9Å; V606-Y650 HydrophobicContact CG1-CD2 4.35Å |
| 607 | Y | 85.4 | Confident | 85.9 | Confident | 47 Ų | 47 | 32.2 Ų | 32.2 | 18% | 0.184 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 176 | 179.3 | -96.4 | 0 | 0 | 0 | 113.4 | F577 P581 H603 A604 F605 L609 T610 R612 L669 | F577-Y607 HydrophobicContact CE1-CD2 4.42Å; F577-Y607 HydrophobicContact CE1-CG 4.28Å; F577-Y607 HydrophobicContact CZ-CD1 4.11Å; F577-Y607 AromaticContact CZ-CG 3.98Å; F577-Y607 HydrophobicContact CZ-CG 3.98Å; P581-Y607 HydrophobicContact CB-CD1 4.38Å; P581-Y607 HydrophobicContact CB-CE1 3.8Å; P581-Y607 HydrophobicContact CG-CE1 3.98Å; H603-Y607 VanDerWaalsContact O-CB 3.28Å; H603-Y607 WeakPolarHBondContact O-CB 3.4Å; H603-Y607 PolarHBondContact O-N 3.07Å; A604-Y607 CarbonylContact O-C 3.45Å; A604-Y607 WeakPolarHBondContact O-CB 3.37Å; A604-Y607 PolarHBondContact O-N 3.14Å; F605-Y607 VanDerWaalsContact C-N 3.26Å; F605-Y607 PolarHBondContact O-N 3.37Å; Y607-L609 PolarHBondContact O-N 3.01Å; Y607-T610 WeakPolarHBondContact O-CB 3.46Å; Y607-T610 PolarHBondContact O-N 3.2Å; Y607-T610 PolarHBondContact O-OG1 3.06Å; Y607-R612 HydrophobicContact CE1-CG 4.28Å; Y607-R612 VanDerWaalsContact CE1-NE 3.31Å; Y607-R612 VanDerWaalsContact CE2-NH2 3.33Å; Y607-R612 PolarHBondContact O-NE 3.1Å; Y607-R612 VanDerWaalsContact OH-CZ 3.23Å; Y607-R612 PolarHBondContact OH-NH1 3.35Å; Y607-R612 VanDerWaalsContact OH-NH1 3.14Å; Y607-L669 HydrophobicContact CD2-CD1 4.11Å; Y607-L669 HydrophobicContact CE2-CD1 3.97Å |
| 608 | F | 87.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -78.2 | -19.4 | -179.9 | -75 | -66.3 | 0 | 0 | 0 | 113.8 | P581 D582 T585 A604 F605 T610 T611 R612 S615 L618 L619 | P581-F608 HydrophobicContact CB-CZ 4.27Å; D582-F608 HydrophobicContact CB-CZ 4.47Å; D582-F608 WeakPolarHBondContact OD1-CE1 3.44Å; D582-F608 VanDerWaalsContact OD1-CZ 3.26Å; D582-F608 WeakPolarHBondContact OD1-CZ 3.23Å; T585-F608 HydrophobicContact CG2-CD2 4.21Å; T585-F608 HydrophobicContact CG2-CE2 3.9Å; T585-F608 VanDerWaalsContact OG1-CE2 3.3Å; T585-F608 WeakPolarHBondContact OG1-CE2 3.18Å; A604-F608 HydrophobicContact CB-CD2 4.44Å; A604-F608 HydrophobicContact CB-CE2 4.48Å; A604-F608 WeakPolarHBondContact O-CD2 3.39Å; A604-F608 PolarHBondContact O-N 3.06Å; F605-F608 PolarHBondContact O-N 2.89Å; F605-F608 VanDerWaalsContact O-N 3.17Å; F608-T610 PolarHBondContact O-N 3.15Å; F608-T611 PolarHBondContact O-N 3.07Å; F608-R612 HydrophobicContact CD1-CB 4.26Å; F608-R612 HydrophobicContact CD1-CG 4.27Å; F608-R612 HydrophobicContact CE1-CB 4.48Å; F608-S615 VanDerWaalsContact O-CB 3.22Å; F608-S615 WeakPolarHBondContact O-CB 3.49Å; F608-S615 PolarHBondContact O-OG 2.99Å; F608-L618 HydrophobicContact CD1-CD1 3.98Å; F608-L618 HydrophobicContact CD2-CD1 4.18Å; F608-L618 HydrophobicContact CE1-CD1 3.49Å; F608-L618 VanDerWaalsContact CE1-CD1 3.48Å; F608-L618 HydrophobicContact CE2-CD1 3.74Å; F608-L618 HydrophobicContact CG-CD1 4.32Å; F608-L618 HydrophobicContact CZ-CD1 3.38Å; F608-L618 VanDerWaalsContact CZ-CD1 3.48Å; F608-L619 HydrophobicContact CB-CD1 4.27Å; F608-L619 HydrophobicContact CB-CD2 4.16Å; F608-L619 HydrophobicContact CB-CG 4.21Å |
| 609 | L | 84.5 | Confident | 85.6 | Confident | 0.333333 Ų | 0.333333 | 30.2 Ų | 30.2 | 0% | 0.002 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.7 | 171.6 | -73 | 174 | 0 | 0 | 0 | 113.5 | F605 V606 Y607 T611 L619 F643 C647 Y650 F686 L689 L690 | F605-L609 WeakPolarHBondContact O-CB 3.11Å; F605-L609 WeakPolarHBondContact O-CG 3.29Å; F605-L609 PolarHBondContact O-N 3.25Å; V606-L609 PolarHBondContact O-N 2.9Å; Y607-L609 PolarHBondContact O-N 3.01Å; L609-T611 PolarHBondContact O-N 3.23Å; L609-T611 VanDerWaalsContact O-N 3.12Å; L609-L619 HydrophobicContact CD2-CD1 3.89Å; L609-L619 HydrophobicContact CG-CD1 4.32Å; L609-F643 HydrophobicContact CD2-CE2 4.15Å; L609-C647 HydrophobicContact CD1-CB 4.46Å; L609-Y650 HydrophobicContact CB-CD1 3.77Å; L609-Y650 HydrophobicContact CB-CD2 4.34Å; L609-Y650 HydrophobicContact CB-CE1 3.99Å; L609-Y650 HydrophobicContact CB-CE2 4.48Å; L609-Y650 HydrophobicContact CB-CG 3.94Å; L609-Y650 HydrophobicContact CD1-CD1 4.25Å; L609-Y650 HydrophobicContact CD1-CG 4.14Å; L609-Y650 HydrophobicContact CG-CD1 4.48Å; L609-Y650 VanDerWaalsContact O-CE1 3.32Å; L609-Y650 WeakPolarHBondContact O-CE1 3.39Å; L609-Y650 PolarHBondContact O-OH 3.22Å; L609-F686 HydrophobicContact CD1-CE2 4.2Å; L609-F686 HydrophobicContact CD2-CD2 4.06Å; L609-F686 HydrophobicContact CD2-CE2 3.72Å; L609-F686 HydrophobicContact CG-CE2 4.37Å; L609-L689 HydrophobicContact CD2-CD2 3.88Å; L609-L690 HydrophobicContact CD2-CD2 4.37Å |
| 610 | T | 77.6 | Confident | 85.4 | Confident | 38 Ų | 38 | 29.8 Ų | 29.8 | 23% | 0.233 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 16.4 | 173 | 68.8 | 0 | 0 | 0 | 0 | 114.7 | Y607 F608 R612 Y650 | Y607-T610 WeakPolarHBondContact O-CB 3.46Å; Y607-T610 PolarHBondContact O-N 3.2Å; Y607-T610 PolarHBondContact O-OG1 3.06Å; F608-T610 PolarHBondContact O-N 3.15Å; T610-R612 PolarHBondContact OG1-NE 3.2Å; T610-R612 PolarHBondContact OG1-NH2 2.95Å; T610-Y650 HydrophobicContact CG2-CE2 3.89Å |
| 611 | T | 74.9 | Confident | 85.1 | Confident | 49.3333 Ų | 49.3333 | 31.8 Ų | 31.8 | 30% | 0.303 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 86.1 | -177.9 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | F608 L609 Q685 L689 | F608-T611 PolarHBondContact O-N 3.07Å; L609-T611 PolarHBondContact O-N 3.23Å; L609-T611 VanDerWaalsContact O-N 3.12Å; T611-Q685 HydrophobicContact CG2-CB 3.91Å; T611-Q685 WeakPolarHBondContact CG2-O 3.47Å; T611-L689 HydrophobicContact CG2-CB 4.09Å; T611-L689 HydrophobicContact CG2-CD1 3.82Å; T611-L689 HydrophobicContact CG2-CD2 4.05Å; T611-L689 HydrophobicContact CG2-CG 4.45Å |
| 612 | R | 80 | Confident | 84.9 | Confident | 89.6667 Ų | 89.6667 | 31.8 Ų | 31.8 | 34% | 0.338 | 16% | 0.161 | S | C | . | . | trans | -109.1 | 166.9 | 172.9 | -56.5 | -150.3 | 178 | -111.1 | -1.2 | 110.5 | Y607 F608 T610 N614 S615 | Y607-R612 HydrophobicContact CE1-CG 4.28Å; Y607-R612 VanDerWaalsContact CE1-NE 3.31Å; Y607-R612 VanDerWaalsContact CE2-NH2 3.33Å; Y607-R612 PolarHBondContact O-NE 3.1Å; Y607-R612 VanDerWaalsContact OH-CZ 3.23Å; Y607-R612 PolarHBondContact OH-NH1 3.35Å; Y607-R612 VanDerWaalsContact OH-NH1 3.14Å; F608-R612 HydrophobicContact CD1-CB 4.26Å; F608-R612 HydrophobicContact CD1-CG 4.27Å; F608-R612 HydrophobicContact CE1-CB 4.48Å; T610-R612 PolarHBondContact OG1-NE 3.2Å; T610-R612 PolarHBondContact OG1-NH2 2.95Å; R612-N614 VanDerWaalsContact C-N 3.28Å; R612-N614 PolarHBondContact O-N 3.07Å; R612-S615 WeakPolarHBondContact CA-OG 3.48Å; R612-S615 WeakPolarHBondContact CB-OG 3.24Å; R612-S615 PolarHBondContact N-OG 3.32Å; R612-S615 VanDerWaalsContact O-CB 3.3Å; R612-S615 WeakPolarHBondContact O-CB 3.31Å; R612-S615 PolarHBondContact O-N 3.35Å; R612-S615 VanDerWaalsContact O-N 3.15Å; R612-S615 PolarHBondContact O-OG 3.25Å | ||
| 613 | I | 80.3 | Confident | 84.7 | Confident | 132.667 Ų | 132.667 | 31.4 Ų | 31.4 | 68% | 0.68 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -47.4 | -179.3 | -62 | 169.1 | 0 | 0 | 0 | 111.6 | Q534 | Q534-I613 HydrophobicContact CB-CG2 3.99Å; Q534-I613 HydrophobicContact CG-CG2 4.48Å |
| 614 | N | 85 | Confident | 84.5 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.1 | -176.4 | -67.2 | -39.6 | 0 | 0 | 0 | 114.4 | L533 Q534 D582 R612 Q616 I617 L618 | L533-N614 HydrophobicContact CD2-CB 4.04Å; Q534-N614 PolarHBondContact N-OD1 3.32Å; Q534-N614 PolarHBondContact O-ND2 3.17Å; Q534-N614 VanDerWaalsContact O-ND2 3.13Å; D582-N614 WeakPolarHBondContact OD2-CB 3.46Å; D582-N614 PolarHBondContact OD2-ND2 3.22Å; R612-N614 VanDerWaalsContact C-N 3.28Å; R612-N614 PolarHBondContact O-N 3.07Å; N614-Q616 PolarHBondContact O-N 2.96Å; N614-I617 PolarHBondContact O-N 3.07Å; N614-L618 HydrophobicContact CB-CD1 4.22Å; N614-L618 PolarHBondContact O-N 3.09Å; N614-L618 VanDerWaalsContact O-N 3.14Å |
| 615 | S | 85.4 | Confident | 84 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | -173.7 | -43.6 | 0 | 0 | 0 | 0 | 113.4 | F608 R612 I617 L618 L619 L689 | F608-S615 VanDerWaalsContact O-CB 3.22Å; F608-S615 WeakPolarHBondContact O-CB 3.49Å; F608-S615 PolarHBondContact O-OG 2.99Å; R612-S615 WeakPolarHBondContact CA-OG 3.48Å; R612-S615 WeakPolarHBondContact CB-OG 3.24Å; R612-S615 PolarHBondContact N-OG 3.32Å; R612-S615 VanDerWaalsContact O-CB 3.3Å; R612-S615 WeakPolarHBondContact O-CB 3.31Å; R612-S615 PolarHBondContact O-N 3.35Å; R612-S615 VanDerWaalsContact O-N 3.15Å; R612-S615 PolarHBondContact O-OG 3.25Å; S615-I617 VanDerWaalsContact C-N 3.32Å; S615-I617 PolarHBondContact O-N 3.25Å; S615-L618 PolarHBondContact O-N 2.98Å; S615-L619 VanDerWaalsContact O-CB 3.3Å; S615-L619 WeakPolarHBondContact O-CB 3.42Å; S615-L619 WeakPolarHBondContact O-CG 3.45Å; S615-L619 PolarHBondContact O-N 3.22Å; S615-L689 WeakPolarHBondContact OG-CD1 3.48Å |
| 616 | Q | 85 | Confident | 83 | Confident | 99.6667 Ų | 99.6667 | 32.5 Ų | 32.5 | 47% | 0.466 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.7 | -45.9 | -179 | 179.2 | 178.5 | 3.6 | 0 | 0 | 111.1 | N614 Q620 L689 S692 | N614-Q616 PolarHBondContact O-N 2.96Å; Q616-Q620 WeakPolarHBondContact O-CB 3.35Å; Q616-Q620 PolarHBondContact O-N 2.89Å; Q616-L689 HydrophobicContact CB-CD1 4.35Å; Q616-S692 WeakPolarHBondContact CG-OG 3.42Å; Q616-S692 PolarHBondContact NE2-O 2.97Å; Q616-S692 VanDerWaalsContact NE2-O 3.17Å |
| 617 | I | 84.6 | Confident | 82.1 | Confident | 57.6667 Ų | 57.6667 | 39.3 Ų | 39.3 | 30% | 0.296 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.1 | -46.3 | -175 | -59.8 | 171.5 | 0 | 0 | 0 | 110.6 | M532 L533 N614 S615 L619 Q620 T621 | M532-I617 HydrophobicContact CB-CD1 4.45Å; M532-I617 HydrophobicContact CB-CG2 3.93Å; M532-I617 WeakPolarHBondContact O-CD1 3.44Å; L533-I617 HydrophobicContact CD2-CB 4.12Å; L533-I617 HydrophobicContact CD2-CG2 3.86Å; N614-I617 PolarHBondContact O-N 3.07Å; S615-I617 VanDerWaalsContact C-N 3.32Å; S615-I617 PolarHBondContact O-N 3.25Å; I617-L619 VanDerWaalsContact C-N 3.35Å; I617-L619 PolarHBondContact O-N 3.23Å; I617-Q620 WeakPolarHBondContact O-CB 3.32Å; I617-Q620 PolarHBondContact O-N 3.37Å; I617-T621 WeakPolarHBondContact O-CG2 3.38Å; I617-T621 PolarHBondContact O-N 3.22Å; I617-T621 PolarHBondContact O-OG1 3.2Å; I617-T621 VanDerWaalsContact O-OG1 3.05Å |
| 618 | L | 86.9 | Confident | 80.9 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 179.8 | -70.7 | 170.4 | 0 | 0 | 0 | 112.7 | L533 D582 A586 L589 F608 N614 S615 T621 A622 | L533-L618 HydrophobicContact CD1-CD2 4.08Å; L533-L618 HydrophobicContact CD2-CD1 4.44Å; L533-L618 HydrophobicContact CD2-CD2 3.93Å; L533-L618 HydrophobicContact CD2-CG 3.86Å; D582-L618 HydrophobicContact CB-CD1 4.23Å; A586-L618 HydrophobicContact CB-CD2 3.93Å; L589-L618 WeakPolarHBondContact CD1-O 3.46Å; F608-L618 HydrophobicContact CD1-CD1 3.98Å; F608-L618 HydrophobicContact CD2-CD1 4.18Å; F608-L618 HydrophobicContact CE1-CD1 3.49Å; F608-L618 VanDerWaalsContact CE1-CD1 3.48Å; F608-L618 HydrophobicContact CE2-CD1 3.74Å; F608-L618 HydrophobicContact CG-CD1 4.32Å; F608-L618 HydrophobicContact CZ-CD1 3.38Å; F608-L618 VanDerWaalsContact CZ-CD1 3.48Å; N614-L618 HydrophobicContact CB-CD1 4.22Å; N614-L618 PolarHBondContact O-N 3.09Å; N614-L618 VanDerWaalsContact O-N 3.14Å; S615-L618 PolarHBondContact O-N 2.98Å; L618-T621 WeakPolarHBondContact CA-OG1 3.35Å; L618-T621 PolarHBondContact O-N 3.05Å; L618-T621 PolarHBondContact O-OG1 3.18Å; L618-A622 WeakPolarHBondContact O-CB 3.44Å; L618-A622 PolarHBondContact O-N 2.99Å |
| 619 | L | 87.9 | Confident | 79.6 | Confident | 0.666667 Ų | 0.666667 | 45.1 Ų | 45.1 | 0% | 0.003 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78 | -30.9 | 177.3 | -61.8 | 178.1 | 0 | 0 | 0 | 112 | F605 F608 L609 S615 I617 T621 A622 W623 F643 L689 I693 | F605-L619 HydrophobicContact CD1-CD2 3.83Å; F605-L619 HydrophobicContact CE1-CD2 4.38Å; F608-L619 HydrophobicContact CB-CD1 4.27Å; F608-L619 HydrophobicContact CB-CD2 4.16Å; F608-L619 HydrophobicContact CB-CG 4.21Å; L609-L619 HydrophobicContact CD2-CD1 3.89Å; L609-L619 HydrophobicContact CG-CD1 4.32Å; S615-L619 VanDerWaalsContact O-CB 3.3Å; S615-L619 WeakPolarHBondContact O-CB 3.42Å; S615-L619 WeakPolarHBondContact O-CG 3.45Å; S615-L619 PolarHBondContact O-N 3.22Å; I617-L619 VanDerWaalsContact C-N 3.35Å; I617-L619 PolarHBondContact O-N 3.23Å; L619-T621 VanDerWaalsContact C-N 3.34Å; L619-A622 WeakPolarHBondContact O-CB 3.48Å; L619-A622 PolarHBondContact O-N 3.23Å; L619-W623 WeakPolarHBondContact O-CB 3.48Å; L619-W623 PolarHBondContact O-N 3.02Å; L619-F643 HydrophobicContact CB-CE2 4.39Å; L619-F643 HydrophobicContact CB-CZ 4.41Å; L619-F643 HydrophobicContact CD1-CE2 4.2Å; L619-F643 HydrophobicContact CD1-CZ 4.43Å; L619-F643 HydrophobicContact CD2-CD2 4.09Å; L619-F643 HydrophobicContact CD2-CE2 3.63Å; L619-F643 HydrophobicContact CD2-CZ 4.4Å; L619-F643 HydrophobicContact CG-CE2 4.28Å; L619-L689 HydrophobicContact CD1-CD1 4.29Å; L619-L689 HydrophobicContact CD1-CD2 3.74Å; L619-L689 HydrophobicContact CD1-CG 4.22Å; L619-I693 HydrophobicContact CB-CD1 3.64Å; L619-I693 HydrophobicContact CB-CG1 4.33Å; L619-I693 HydrophobicContact CD1-CD1 4.34Å |
| 620 | Q | 85.6 | Confident | 78.7 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 169.4 | -176.6 | 72 | 0.9 | 0 | 0 | 111.4 | Q616 I617 W623 N624 I693 H694 | Q616-Q620 WeakPolarHBondContact O-CB 3.35Å; Q616-Q620 PolarHBondContact O-N 2.89Å; I617-Q620 WeakPolarHBondContact O-CB 3.32Å; I617-Q620 PolarHBondContact O-N 3.37Å; Q620-W623 PolarHBondContact O-N 3.01Å; Q620-N624 VanDerWaalsContact CD-ND2 3.34Å; Q620-N624 PolarHBondContact NE2-ND2 2.74Å; Q620-N624 WeakPolarHBondContact O-CB 3.39Å; Q620-N624 PolarHBondContact O-N 3.11Å; Q620-N624 PolarHBondContact O-ND2 3.45Å; Q620-I693 VanDerWaalsContact OE1-CA 3.24Å; Q620-H694 PolarHBondContact NE2-CD2 3.28Å; Q620-H694 PolarHBondContact NE2-CE1 3.49Å; Q620-H694 PolarHBondContact NE2-NE2 2.94Å; Q620-H694 PolarHBondContact NE2-O 2.98Å; Q620-H694 PolarHBondContact OE1-O 3.29Å; Q620-H694 VanDerWaalsContact OE1-O 3.1Å |
| 621 | T | 84.8 | Confident | 78.5 | Confident | 43.6667 Ų | 43.6667 | 47.3 Ų | 47.3 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.7 | -34 | 173.2 | 24.9 | 0 | 0 | 0 | 0 | 111.9 | L589 I617 L618 L619 W623 G625 | L589-T621 WeakPolarHBondContact CD1-OG1 3.42Å; I617-T621 WeakPolarHBondContact O-CG2 3.38Å; I617-T621 PolarHBondContact O-N 3.22Å; I617-T621 PolarHBondContact O-OG1 3.2Å; I617-T621 VanDerWaalsContact O-OG1 3.05Å; L618-T621 WeakPolarHBondContact CA-OG1 3.35Å; L618-T621 PolarHBondContact O-N 3.05Å; L618-T621 PolarHBondContact O-OG1 3.18Å; L619-T621 VanDerWaalsContact C-N 3.34Å; T621-W623 VanDerWaalsContact C-N 3.28Å; T621-W623 PolarHBondContact O-N 3.39Å; T621-G625 CarbonylContact O-C 3.56Å; T621-G625 VanDerWaalsContact O-CA 3.27Å; T621-G625 WeakPolarHBondContact O-CA 3.35Å; T621-G625 PolarHBondContact O-N 3.29Å |
| 622 | A | 85.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L589 F605 L618 L619 Q639 | L589-A622 HydrophobicContact CD1-CB 4.16Å; L589-A622 HydrophobicContact CD2-CB 3.74Å; F605-A622 HydrophobicContact CD1-CB 4.47Å; F605-A622 HydrophobicContact CE1-CB 3.54Å; F605-A622 HydrophobicContact CZ-CB 3.86Å; L618-A622 WeakPolarHBondContact O-CB 3.44Å; L618-A622 PolarHBondContact O-N 2.99Å; L619-A622 WeakPolarHBondContact O-CB 3.48Å; L619-A622 PolarHBondContact O-N 3.23Å; A622-Q639 PolarHBondContact O-NE2 3.17Å |
| 623 | W | 84.9 | Confident | 78 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.1 | -46.1 | 179 | -170 | -104.4 | 0 | 0 | 0 | 113.6 | L619 Q620 T621 R640 F643 I644 I693 T702 V703 I706 | L619-W623 WeakPolarHBondContact O-CB 3.48Å; L619-W623 PolarHBondContact O-N 3.02Å; Q620-W623 PolarHBondContact O-N 3.01Å; T621-W623 VanDerWaalsContact C-N 3.28Å; T621-W623 PolarHBondContact O-N 3.39Å; W623-R640 HydrophobicContact CD2-CG 4.26Å; W623-R640 HydrophobicContact CE3-CB 4.26Å; W623-R640 HydrophobicContact CE3-CG 3.85Å; W623-R640 HydrophobicContact CH2-CB 4.4Å; W623-R640 HydrophobicContact CH2-CG 4.38Å; W623-R640 HydrophobicContact CZ3-CB 3.91Å; W623-R640 HydrophobicContact CZ3-CG 3.93Å; W623-R640 VanDerWaalsContact O-CZ 3.24Å; W623-R640 PolarHBondContact O-NE 3.09Å; W623-R640 PolarHBondContact O-NH2 2.97Å; W623-F643 AromaticContact CE3-CD1 3.72Å; W623-F643 HydrophobicContact CE3-CD1 3.72Å; W623-F643 HydrophobicContact CE3-CE1 4.13Å; W623-F643 AromaticContact CZ3-CD1 3.98Å; W623-F643 HydrophobicContact CZ3-CD1 4.08Å; W623-I644 HydrophobicContact CH2-CD1 4.22Å; W623-I644 HydrophobicContact CZ3-CD1 4.16Å; W623-I644 HydrophobicContact CZ3-CG1 4.17Å; W623-I693 HydrophobicContact CB-CG2 3.84Å; W623-I693 HydrophobicContact CG-CG2 4.03Å; W623-T702 WeakPolarHBondContact CZ2-OG1 3.35Å; W623-T702 PolarHBondContact NE1-OG1 3.28Å; W623-T702 VanDerWaalsContact NE1-OG1 3.15Å; W623-V703 HydrophobicContact CD2-CG2 3.78Å; W623-V703 HydrophobicContact CE3-CG2 3.88Å; W623-V703 HydrophobicContact CG-CG2 4.3Å; W623-V703 HydrophobicContact CH2-CG2 4.06Å; W623-V703 HydrophobicContact CZ2-CG2 4.03Å; W623-V703 HydrophobicContact CZ3-CG2 4.12Å; W623-I706 HydrophobicContact CH2-CD1 3.6Å; W623-I706 HydrophobicContact CZ2-CD1 3.54Å |
| 624 | N | 82 | Confident | 77.7 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -92.8 | -14.7 | -173.5 | -67.2 | -38 | 0 | 0 | 0 | 114.3 | Q620 H694 D695 S696 | Q620-N624 VanDerWaalsContact CD-ND2 3.34Å; Q620-N624 PolarHBondContact NE2-ND2 2.74Å; Q620-N624 WeakPolarHBondContact O-CB 3.39Å; Q620-N624 PolarHBondContact O-N 3.11Å; Q620-N624 PolarHBondContact O-ND2 3.45Å; N624-H694 PolarHBondContact ND2-O 3.1Å; N624-H694 PolarHBondContact OD1-O 3Å; N624-D695 WeakPolarHBondContact OD1-CA 3.48Å; N624-D695 PolarHBondContact OD1-OD1 3.37Å; N624-S696 PolarHBondContact OD1-N 3.12Å |
| 625 | G | 78.4 | Confident | 77.4 | Confident | 14.6667 Ų | 14.6667 | 44.2 Ų | 44.2 | 15% | 0.151 | 26% | 0.255 | C | S | . | . | trans | 91.3 | 162 | -169 | 0 | 0 | 0 | 0 | 0 | 112.3 | T621 N629 | T621-G625 CarbonylContact O-C 3.56Å; T621-G625 VanDerWaalsContact O-CA 3.27Å; T621-G625 WeakPolarHBondContact O-CA 3.35Å; T621-G625 PolarHBondContact O-N 3.29Å; G625-N629 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 626 | G | 71.4 | Confident | 77.3 | Confident | 10.6667 Ų | 10.6667 | 45.5 Ų | 45.5 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | trans | -76.5 | 163.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E590 S628 N629 | E590-G626 WeakPolarHBondContact OE1-CA 3.5Å; G626-S628 VanDerWaalsContact C-N 3.26Å; G626-S628 PolarHBondContact O-N 3.16Å; G626-S628 VanDerWaalsContact O-N 3.07Å; G626-N629 PolarHBondContact N-OD1 2.83Å; G626-N629 PolarHBondContact O-N 3.11Å; G626-N629 PolarHBondContact O-ND2 3.23Å; G626-N629 PolarHBondContact O-OD1 3.32Å | ||
| 627 | K | 65.8 | Low | 77 | Confident | 148.333 Ų | 148.333 | 43.6 Ų | 43.6 | 65% | 0.645 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28 | 179.4 | -67.9 | 179.6 | -173.7 | 170.5 | 0 | 112.3 | D529 N629 | D529-K627 WeakPolarHBondContact OD2-CD 3.13Å; D529-K627 WeakPolarHBondContact OD2-CE 3.5Å; D529-K627 IonicContact OD2-NZ 3.28Å; D529-K627 PolarHBondContact OD2-NZ 3.29Å; K627-N629 VanDerWaalsContact C-N 3.31Å; K627-N629 PolarHBondContact O-N 3.12Å |
| 628 | S | 61.6 | Low | 76.8 | Confident | 56.3333 Ų | 56.3333 | 44.4 Ų | 44.4 | 39% | 0.394 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.3 | -178.2 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | E590 G626 L630 | E590-S628 PolarHBondContact OE1-OG 3.27Å; E590-S628 VanDerWaalsContact OE2-CB 3.24Å; E590-S628 WeakPolarHBondContact OE2-CB 3.48Å; E590-S628 PolarHBondContact OE2-OG 3.35Å; G626-S628 VanDerWaalsContact C-N 3.26Å; G626-S628 PolarHBondContact O-N 3.16Å; G626-S628 VanDerWaalsContact O-N 3.07Å; S628-L630 VanDerWaalsContact C-N 3.34Å; S628-L630 PolarHBondContact O-N 3.23Å; S628-L630 VanDerWaalsContact O-N 3.13Å; S628-L630 WeakPolarHBondContact OG-CG 3.41Å |
| 629 | N | 59.6 | Low | 76.7 | Confident | 114.333 Ų | 114.333 | 44.3 Ų | 44.3 | 61% | 0.611 | 25% | 0.254 | S | S | * | . | trans | 38.3 | 50.6 | 178.7 | -83.5 | -25.5 | 0 | 0 | 0 | 114.4 | G625 G626 K627 L631 | G625-N629 WeakPolarHBondContact CA-OD1 3.35Å; G626-N629 PolarHBondContact N-OD1 2.83Å; G626-N629 PolarHBondContact O-N 3.11Å; G626-N629 PolarHBondContact O-ND2 3.23Å; G626-N629 PolarHBondContact O-OD1 3.32Å; K627-N629 VanDerWaalsContact C-N 3.31Å; K627-N629 PolarHBondContact O-N 3.12Å; N629-L631 VanDerWaalsContact C-N 3.28Å | ||
| 630 | L | 65 | Low | 76.6 | Confident | 58.3333 Ų | 58.3333 | 46.9 Ų | 46.9 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | trans | -74.1 | -22.3 | 176.5 | -70.9 | 168.2 | 0 | 0 | 0 | 113.5 | R526 I551 E590 S628 | R526-L630 VanDerWaalsContact NH1-CD2 3.29Å; I551-L630 HydrophobicContact CD1-CD1 3.81Å; I551-L630 HydrophobicContact CG2-CD1 4.42Å; E590-L630 WeakPolarHBondContact O-CD1 3.44Å; S628-L630 VanDerWaalsContact C-N 3.34Å; S628-L630 PolarHBondContact O-N 3.23Å; S628-L630 VanDerWaalsContact O-N 3.13Å; S628-L630 WeakPolarHBondContact OG-CG 3.41Å | ||
| 631 | L | 72.5 | Confident | 76.5 | Confident | 24.3333 Ų | 24.3333 | 47.3 Ų | 47.3 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -78.3 | 136.3 | -179.4 | -70.1 | 147.2 | 0 | 0 | 0 | 110.8 | L589 T591 I593 N629 D635 | L589-L631 WeakPolarHBondContact O-CD1 3.35Å; T591-L631 WeakPolarHBondContact O-CD2 3.49Å; I593-L631 HydrophobicContact CG1-CD2 4.27Å; N629-L631 VanDerWaalsContact C-N 3.28Å; L631-D635 HydrophobicContact CB-CB 3.9Å; L631-D635 HydrophobicContact CD2-CB 4Å; L631-D635 HydrophobicContact CG-CB 4.28Å |
| 632 | T | 72.2 | Confident | 76.5 | Confident | 74 Ų | 74 | 47 Ų | 47 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | trans | -68.8 | 162.7 | 168.9 | 70 | 0 | 0 | 0 | 0 | 110.6 | T634 D635 L636 | T632-T634 PolarHBondContact O-N 3.08Å; T632-T634 PolarHBondContact OG1-OG1 3.21Å; T632-D635 VanDerWaalsContact CB-OD2 3.26Å; T632-D635 WeakPolarHBondContact CB-OD2 3.41Å; T632-D635 WeakPolarHBondContact CG2-OD2 3.33Å; T632-D635 PolarHBondContact N-OD2 3.01Å; T632-D635 WeakPolarHBondContact O-CA 3.37Å; T632-D635 WeakPolarHBondContact O-CB 3.36Å; T632-D635 PolarHBondContact O-N 3.44Å; T632-D635 PolarHBondContact OG1-N 3.3Å; T632-D635 PolarHBondContact OG1-OD1 2.97Å; T632-D635 PolarHBondContact OG1-OD2 3.03Å; T632-L636 PolarHBondContact O-N 3.25Å | ||
| 633 | G | 72.3 | Confident | 76.6 | Confident | 64 Ų | 64 | 47 Ų | 47 | 66% | 0.66 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.6 | -33.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q637 | G633-Q637 WeakPolarHBondContact O-CB 3.13Å; G633-Q637 PolarHBondContact O-N 3.48Å |
| 634 | T | 73.6 | Confident | 76.5 | Confident | 40 Ų | 40 | 47.2 Ų | 47.2 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.2 | -32.4 | 174.3 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | T632 Q637 Q638 K1329 | T632-T634 PolarHBondContact O-N 3.08Å; T632-T634 PolarHBondContact OG1-OG1 3.21Å; T634-Q637 WeakPolarHBondContact O-CB 3.36Å; T634-Q637 PolarHBondContact O-N 3.16Å; T634-Q638 WeakPolarHBondContact O-CG 3.37Å; T634-Q638 PolarHBondContact O-N 3.27Å; T634-K1329 VanDerWaalsContact CB-NZ 3.25Å; T634-K1329 PolarHBondContact OG1-NZ 3.13Å |
| 635 | D | 80.4 | Confident | 76.4 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.8 | -43 | 177.3 | -60.5 | -32.3 | 0 | 0 | 0 | 110.8 | I593 L631 T632 Q637 Q638 Q639 | I593-D635 VanDerWaalsContact CD1-CA 3.4Å; I593-D635 HydrophobicContact CD1-CB 3.52Å; I593-D635 WeakPolarHBondContact CD1-OD1 3.42Å; I593-D635 HydrophobicContact CG1-CB 3.95Å; L631-D635 HydrophobicContact CB-CB 3.9Å; L631-D635 HydrophobicContact CD2-CB 4Å; L631-D635 HydrophobicContact CG-CB 4.28Å; T632-D635 VanDerWaalsContact CB-OD2 3.26Å; T632-D635 WeakPolarHBondContact CB-OD2 3.41Å; T632-D635 WeakPolarHBondContact CG2-OD2 3.33Å; T632-D635 PolarHBondContact N-OD2 3.01Å; T632-D635 WeakPolarHBondContact O-CA 3.37Å; T632-D635 WeakPolarHBondContact O-CB 3.36Å; T632-D635 PolarHBondContact O-N 3.44Å; T632-D635 PolarHBondContact OG1-N 3.3Å; T632-D635 PolarHBondContact OG1-OD1 2.97Å; T632-D635 PolarHBondContact OG1-OD2 3.03Å; D635-Q637 VanDerWaalsContact C-N 3.27Å; D635-Q637 PolarHBondContact O-N 3.04Å; D635-Q638 PolarHBondContact O-N 3.18Å; D635-Q638 VanDerWaalsContact O-N 3.14Å; D635-Q639 PolarHBondContact O-N 3.09Å |
| 636 | L | 82.5 | Confident | 76.6 | Confident | 31.6667 Ų | 31.6667 | 47.1 Ų | 47.1 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 172.7 | -177.7 | 62.1 | 0 | 0 | 0 | 111.1 | T632 Q639 R640 | T632-L636 PolarHBondContact O-N 3.25Å; L636-Q639 WeakPolarHBondContact O-CB 3.38Å; L636-Q639 PolarHBondContact O-N 3.17Å; L636-R640 WeakPolarHBondContact O-CG 3.38Å; L636-R640 PolarHBondContact O-N 3.27Å |
| 637 | Q | 78.5 | Confident | 77.1 | Confident | 58.3333 Ų | 58.3333 | 46.6 Ų | 46.6 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.1 | -173.2 | -178.7 | -0.2 | 0 | 0 | 111.8 | G633 T634 D635 Q639 R640 H641 D751 | G633-Q637 WeakPolarHBondContact O-CB 3.13Å; G633-Q637 PolarHBondContact O-N 3.48Å; T634-Q637 WeakPolarHBondContact O-CB 3.36Å; T634-Q637 PolarHBondContact O-N 3.16Å; D635-Q637 VanDerWaalsContact C-N 3.27Å; D635-Q637 PolarHBondContact O-N 3.04Å; Q637-Q639 VanDerWaalsContact C-N 3.33Å; Q637-Q639 PolarHBondContact O-N 3.35Å; Q637-R640 PolarHBondContact O-N 3.05Å; Q637-H641 PolarHBondContact O-N 2.84Å; Q637-H641 PolarHBondContact O-ND1 2.98Å; Q637-D751 PolarHBondContact NE2-OD2 3.24Å; Q637-D751 PolarHBondContact OE1-OD2 3.38Å |
| 638 | Q | 80.5 | Confident | 77.7 | Confident | 75.3333 Ų | 75.3333 | 41.4 Ų | 41.4 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.3 | -39 | 175.4 | -72.6 | -174.2 | -1.3 | 0 | 0 | 112.4 | I593 T634 D635 H641 L642 V1320 | I593-Q638 HydrophobicContact CD1-CB 3.79Å; I593-Q638 HydrophobicContact CD1-CG 4.47Å; T634-Q638 WeakPolarHBondContact O-CG 3.37Å; T634-Q638 PolarHBondContact O-N 3.27Å; D635-Q638 PolarHBondContact O-N 3.18Å; D635-Q638 VanDerWaalsContact O-N 3.14Å; Q638-H641 WeakPolarHBondContact O-CB 3.24Å; Q638-H641 PolarHBondContact O-N 3.15Å; Q638-L642 PolarHBondContact O-N 2.94Å; Q638-V1320 PolarHBondContact NE2-O 3.4Å; Q638-V1320 VanDerWaalsContact NE2-O 3.15Å |
| 639 | Q | 85.5 | Confident | 78.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 174.4 | -177.8 | 169.7 | -69.5 | 0 | 0 | 112.3 | L589 F605 A622 D635 L636 Q637 H641 L642 F643 | L589-Q639 HydrophobicContact CD2-CG 4.33Å; L589-Q639 PolarHBondContact O-OE1 2.86Å; F605-Q639 HydrophobicContact CZ-CG 4.39Å; A622-Q639 PolarHBondContact O-NE2 3.17Å; D635-Q639 PolarHBondContact O-N 3.09Å; L636-Q639 WeakPolarHBondContact O-CB 3.38Å; L636-Q639 PolarHBondContact O-N 3.17Å; Q637-Q639 VanDerWaalsContact C-N 3.33Å; Q637-Q639 PolarHBondContact O-N 3.35Å; Q639-H641 VanDerWaalsContact C-N 3.33Å; Q639-H641 PolarHBondContact O-N 3.14Å; Q639-L642 WeakPolarHBondContact O-CB 3.46Å; Q639-L642 PolarHBondContact O-N 2.84Å; Q639-F643 PolarHBondContact O-N 3.1Å |
| 640 | R | 85.6 | Confident | 79.3 | Confident | 55 Ų | 55 | 37.4 Ų | 37.4 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 173.7 | -72.1 | 172.6 | 174.5 | -166.2 | -10.4 | 111.6 | W623 L636 Q637 L642 F643 I644 D695 L757 | W623-R640 HydrophobicContact CD2-CG 4.26Å; W623-R640 HydrophobicContact CE3-CB 4.26Å; W623-R640 HydrophobicContact CE3-CG 3.85Å; W623-R640 HydrophobicContact CH2-CB 4.4Å; W623-R640 HydrophobicContact CH2-CG 4.38Å; W623-R640 HydrophobicContact CZ3-CB 3.91Å; W623-R640 HydrophobicContact CZ3-CG 3.93Å; W623-R640 VanDerWaalsContact O-CZ 3.24Å; W623-R640 PolarHBondContact O-NE 3.09Å; W623-R640 PolarHBondContact O-NH2 2.97Å; L636-R640 WeakPolarHBondContact O-CG 3.38Å; L636-R640 PolarHBondContact O-N 3.27Å; Q637-R640 PolarHBondContact O-N 3.05Å; R640-L642 PolarHBondContact O-N 2.91Å; R640-F643 PolarHBondContact O-N 3.13Å; R640-I644 WeakPolarHBondContact O-CB 3.38Å; R640-I644 WeakPolarHBondContact O-CD1 3.48Å; R640-I644 VanDerWaalsContact O-CG1 3.27Å; R640-I644 WeakPolarHBondContact O-CG1 3.35Å; R640-I644 PolarHBondContact O-N 3.18Å; R640-D695 IonicContact CZ-OD2 3.05Å; R640-D695 IonicContact NH1-OD2 3.34Å; R640-D695 IonicContact NH2-OD1 3.85Å; R640-D695 PolarHBondContact NH2-OD1 3.4Å; R640-D695 IonicContact NH2-OD2 2.67Å; R640-D695 PolarHBondContact NH2-OD2 2.82Å; R640-L757 HydrophobicContact CB-CD2 3.71Å |
| 641 | H | 82.6 | Confident | 79.8 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 26% | 0.255 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.9 | -70 | 105.7 | 0 | 0 | 0 | 112.6 | Q637 Q638 Q639 I644 A645 H756 L757 | Q637-H641 PolarHBondContact O-N 2.84Å; Q637-H641 PolarHBondContact O-ND1 2.98Å; Q638-H641 WeakPolarHBondContact O-CB 3.24Å; Q638-H641 PolarHBondContact O-N 3.15Å; Q639-H641 VanDerWaalsContact C-N 3.33Å; Q639-H641 PolarHBondContact O-N 3.14Å; H641-I644 PolarHBondContact O-N 2.83Å; H641-A645 WeakPolarHBondContact O-CB 3.38Å; H641-A645 PolarHBondContact O-N 2.99Å; H641-H756 PolarHBondContact NE2-O 3.13Å; H641-H756 VanDerWaalsContact NE2-O 3.14Å; H641-L757 HydrophobicContact CB-CD1 3.89Å; H641-L757 VanDerWaalsContact CD2-CD1 3.43Å; H641-L757 WeakPolarHBondContact CD2-CD1 3.47Å; H641-L757 WeakPolarHBondContact CE1-CD2 3.48Å; H641-L757 WeakPolarHBondContact ND1-CD2 3.41Å |
| 642 | L | 85.9 | Confident | 79.7 | Confident | 38.6667 Ų | 38.6667 | 35 Ų | 35 | 20% | 0.202 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 176 | -179.8 | 65.2 | 0 | 0 | 0 | 111.6 | N598 L601 F605 Q638 Q639 R640 I644 A645 S646 | N598-L642 HydrophobicContact CB-CD2 4.02Å; N598-L642 WeakPolarHBondContact O-CD2 3.27Å; L601-L642 HydrophobicContact CB-CD2 3.82Å; F605-L642 HydrophobicContact CD2-CD2 4.5Å; F605-L642 HydrophobicContact CD2-CG 4.2Å; F605-L642 HydrophobicContact CE2-CB 4.37Å; F605-L642 HydrophobicContact CE2-CD2 3.98Å; F605-L642 HydrophobicContact CE2-CG 3.95Å; Q638-L642 PolarHBondContact O-N 2.94Å; Q639-L642 WeakPolarHBondContact O-CB 3.46Å; Q639-L642 PolarHBondContact O-N 2.84Å; R640-L642 PolarHBondContact O-N 2.91Å; L642-I644 PolarHBondContact O-N 3.13Å; L642-A645 WeakPolarHBondContact O-CB 3.41Å; L642-A645 PolarHBondContact O-N 3.07Å; L642-S646 WeakPolarHBondContact O-CB 3.41Å; L642-S646 PolarHBondContact O-N 3.18Å; L642-S646 PolarHBondContact O-OG 3.25Å |
| 643 | F | 88.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 175 | 174.8 | -119.3 | 0 | 0 | 0 | 111.8 | F605 L609 L619 W623 Q639 R640 A645 S646 C647 L690 I693 V703 | F605-F643 HydrophobicContact CB-CD2 4.3Å; F605-F643 HydrophobicContact CD1-CD2 4.27Å; F605-F643 HydrophobicContact CD2-CB 4.08Å; F605-F643 HydrophobicContact CD2-CD2 4.27Å; F605-F643 HydrophobicContact CE2-CB 3.94Å; F605-F643 AromaticContact CG-CD2 3.99Å; F605-F643 HydrophobicContact CG-CD2 4.03Å; F605-F643 HydrophobicContact CZ-CB 4.38Å; L609-F643 HydrophobicContact CD2-CE2 4.15Å; L619-F643 HydrophobicContact CB-CE2 4.39Å; L619-F643 HydrophobicContact CB-CZ 4.41Å; L619-F643 HydrophobicContact CD1-CE2 4.2Å; L619-F643 HydrophobicContact CD1-CZ 4.43Å; L619-F643 HydrophobicContact CD2-CD2 4.09Å; L619-F643 HydrophobicContact CD2-CE2 3.63Å; L619-F643 HydrophobicContact CD2-CZ 4.4Å; L619-F643 HydrophobicContact CG-CE2 4.28Å; W623-F643 AromaticContact CE3-CD1 3.72Å; W623-F643 HydrophobicContact CE3-CD1 3.72Å; W623-F643 HydrophobicContact CE3-CE1 4.13Å; W623-F643 AromaticContact CZ3-CD1 3.98Å; W623-F643 HydrophobicContact CZ3-CD1 4.08Å; Q639-F643 PolarHBondContact O-N 3.1Å; R640-F643 PolarHBondContact O-N 3.13Å; F643-A645 VanDerWaalsContact C-N 3.33Å; F643-A645 PolarHBondContact O-N 3.17Å; F643-S646 WeakPolarHBondContact O-CB 3.25Å; F643-S646 PolarHBondContact O-N 3.38Å; F643-S646 VanDerWaalsContact O-N 3.09Å; F643-C647 PolarHBondContact O-N 3.33Å; F643-C647 PolarHBondContact O-SG 3.09Å; F643-C647 VanDerWaalsContact O-SG 3.38Å; F643-L690 HydrophobicContact CZ-CD2 4.23Å; F643-I693 HydrophobicContact CE1-CD1 4.25Å; F643-I693 HydrophobicContact CZ-CD1 3.75Å; F643-V703 HydrophobicContact CE1-CG1 3.93Å; F643-V703 HydrophobicContact CE1-CG2 4.18Å |
| 644 | I | 82.7 | Confident | 79.5 | Confident | 6.33333 Ų | 6.33333 | 30.3 Ų | 30.3 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.9 | -68.8 | 164.3 | 0 | 0 | 0 | 110.6 | W623 R640 H641 L642 S646 C647 I648 I706 L707 L753 L757 L759 | W623-I644 HydrophobicContact CH2-CD1 4.22Å; W623-I644 HydrophobicContact CZ3-CD1 4.16Å; W623-I644 HydrophobicContact CZ3-CG1 4.17Å; R640-I644 WeakPolarHBondContact O-CB 3.38Å; R640-I644 WeakPolarHBondContact O-CD1 3.48Å; R640-I644 VanDerWaalsContact O-CG1 3.27Å; R640-I644 WeakPolarHBondContact O-CG1 3.35Å; R640-I644 PolarHBondContact O-N 3.18Å; H641-I644 PolarHBondContact O-N 2.83Å; L642-I644 PolarHBondContact O-N 3.13Å; I644-S646 VanDerWaalsContact C-N 3.31Å; I644-S646 PolarHBondContact O-N 2.93Å; I644-C647 WeakPolarHBondContact O-CA 3.38Å; I644-C647 VanDerWaalsContact O-CB 3.26Å; I644-C647 WeakPolarHBondContact O-CB 3.37Å; I644-C647 PolarHBondContact O-N 3.19Å; I644-C647 VanDerWaalsContact O-N 3.08Å; I644-I648 HydrophobicContact CG2-CD1 4.24Å; I644-I648 WeakPolarHBondContact O-CG1 3.36Å; I644-I648 PolarHBondContact O-N 3.27Å; I644-I706 HydrophobicContact CD1-CG2 3.98Å; I644-L707 HydrophobicContact CB-CD1 4.38Å; I644-L707 HydrophobicContact CG1-CD1 4Å; I644-L707 HydrophobicContact CG2-CD1 4.13Å; I644-L753 HydrophobicContact CD1-CD1 4Å; I644-L757 HydrophobicContact CD1-CD2 4.01Å; I644-L757 HydrophobicContact CG2-CB 4.38Å; I644-L759 HydrophobicContact CG2-CD1 3.6Å |
| 645 | A | 80 | Confident | 78.9 | Confident | 40.6667 Ų | 40.6667 | 29.5 Ų | 29.5 | 34% | 0.336 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H641 L642 F643 C647 I648 E649 L757 | H641-A645 WeakPolarHBondContact O-CB 3.38Å; H641-A645 PolarHBondContact O-N 2.99Å; L642-A645 WeakPolarHBondContact O-CB 3.41Å; L642-A645 PolarHBondContact O-N 3.07Å; F643-A645 VanDerWaalsContact C-N 3.33Å; F643-A645 PolarHBondContact O-N 3.17Å; A645-C647 VanDerWaalsContact C-N 3.34Å; A645-C647 PolarHBondContact O-N 2.99Å; A645-I648 WeakPolarHBondContact O-CB 3.27Å; A645-I648 PolarHBondContact O-N 3.02Å; A645-E649 PolarHBondContact O-N 3.25Å; A645-L757 HydrophobicContact CB-CD2 3.67Å |
| 646 | S | 81.5 | Confident | 77.7 | Confident | 3.33333 Ų | 3.33333 | 32.2 Ų | 32.2 | 2% | 0.023 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.1 | -35.5 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | L642 F643 I644 E649 Y650 | L642-S646 WeakPolarHBondContact O-CB 3.41Å; L642-S646 PolarHBondContact O-N 3.18Å; L642-S646 PolarHBondContact O-OG 3.25Å; F643-S646 WeakPolarHBondContact O-CB 3.25Å; F643-S646 PolarHBondContact O-N 3.38Å; F643-S646 VanDerWaalsContact O-N 3.09Å; I644-S646 VanDerWaalsContact C-N 3.31Å; I644-S646 PolarHBondContact O-N 2.93Å; S646-E649 PolarHBondContact O-N 3.36Å; S646-Y650 VanDerWaalsContact O-CB 3.31Å; S646-Y650 WeakPolarHBondContact O-CB 3.32Å; S646-Y650 PolarHBondContact O-N 3.36Å |
| 647 | C | 82.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 171.2 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | L609 F643 I644 A645 Y650 T651 F686 L707 | L609-C647 HydrophobicContact CD1-CB 4.46Å; F643-C647 PolarHBondContact O-N 3.33Å; F643-C647 PolarHBondContact O-SG 3.09Å; F643-C647 VanDerWaalsContact O-SG 3.38Å; I644-C647 WeakPolarHBondContact O-CA 3.38Å; I644-C647 VanDerWaalsContact O-CB 3.26Å; I644-C647 WeakPolarHBondContact O-CB 3.37Å; I644-C647 PolarHBondContact O-N 3.19Å; I644-C647 VanDerWaalsContact O-N 3.08Å; A645-C647 VanDerWaalsContact C-N 3.34Å; A645-C647 PolarHBondContact O-N 2.99Å; C647-Y650 PolarHBondContact O-N 3.01Å; C647-T651 WeakPolarHBondContact O-CB 3.46Å; C647-T651 VanDerWaalsContact O-CG2 3.3Å; C647-T651 WeakPolarHBondContact O-CG2 3.41Å; C647-T651 PolarHBondContact O-N 3.31Å; C647-T651 PolarHBondContact O-OG1 3.1Å; C647-F686 HydrophobicContact CB-CZ 4.18Å; C647-L707 HydrophobicContact CB-CD1 4.43Å; C647-L707 HydrophobicContact CB-CD2 4.32Å |
| 648 | I | 77.5 | Confident | 74.6 | Confident | 38.6667 Ų | 38.6667 | 35.8 Ų | 35.8 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.6 | -58 | 170.1 | 0 | 0 | 0 | 110.2 | I644 A645 Y650 T651 A652 L707 L757 L759 | I644-I648 HydrophobicContact CG2-CD1 4.24Å; I644-I648 WeakPolarHBondContact O-CG1 3.36Å; I644-I648 PolarHBondContact O-N 3.27Å; A645-I648 WeakPolarHBondContact O-CB 3.27Å; A645-I648 PolarHBondContact O-N 3.02Å; I648-Y650 PolarHBondContact O-N 2.81Å; I648-T651 WeakPolarHBondContact CA-OG1 3.34Å; I648-T651 WeakPolarHBondContact O-CB 3.47Å; I648-T651 PolarHBondContact O-N 3.23Å; I648-T651 PolarHBondContact O-OG1 3.45Å; I648-A652 WeakPolarHBondContact O-CB 3.49Å; I648-A652 PolarHBondContact O-N 3.2Å; I648-L707 HydrophobicContact CG1-CD1 4.08Å; I648-L757 VanDerWaalsContact CD1-C 3.46Å; I648-L757 HydrophobicContact CD1-CB 4.24Å; I648-L757 HydrophobicContact CD1-CD2 4.18Å; I648-L757 WeakPolarHBondContact CD1-O 3.24Å; I648-L759 HydrophobicContact CB-CD1 4.04Å; I648-L759 HydrophobicContact CD1-CD1 4.27Å; I648-L759 HydrophobicContact CD1-CD2 3.94Å; I648-L759 HydrophobicContact CD1-CG 4.11Å; I648-L759 HydrophobicContact CG1-CD1 3.59Å; I648-L759 HydrophobicContact CG1-CD2 4.42Å; I648-L759 HydrophobicContact CG2-CD1 3.97Å |
| 649 | E | 76.7 | Confident | 72.3 | Confident | 75 Ų | 75 | 36.4 Ų | 36.4 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 177 | -166.9 | -173.1 | 155.2 | 0 | 0 | 111.2 | A645 S646 T651 A652 Q653 S665 | A645-E649 PolarHBondContact O-N 3.25Å; S646-E649 PolarHBondContact O-N 3.36Å; E649-T651 VanDerWaalsContact C-N 3.32Å; E649-T651 PolarHBondContact O-N 3.27Å; E649-A652 CarbonylContact O-C 3.28Å; E649-A652 WeakPolarHBondContact O-CB 3.08Å; E649-A652 PolarHBondContact O-N 3.18Å; E649-A652 VanDerWaalsContact O-N 3.11Å; E649-Q653 WeakPolarHBondContact O-CG 3.41Å; E649-Q653 PolarHBondContact O-N 3.42Å; E649-Q653 PolarHBondContact OE1-NE2 3.31Å; E649-S665 PolarHBondContact OE1-OG 3.14Å |
| 650 | Y | 79.5 | Confident | 70 | Confident | 11.6667 Ų | 11.6667 | 40.7 Ų | 40.7 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 179 | -176.1 | -112.8 | 0 | 0 | 0 | 112.7 | V606 L609 T610 S646 C647 I648 A652 Q653 L654 F686 | V606-Y650 HydrophobicContact CG1-CD2 4.35Å; L609-Y650 HydrophobicContact CB-CD1 3.77Å; L609-Y650 HydrophobicContact CB-CD2 4.34Å; L609-Y650 HydrophobicContact CB-CE1 3.99Å; L609-Y650 HydrophobicContact CB-CE2 4.48Å; L609-Y650 HydrophobicContact CB-CG 3.94Å; L609-Y650 HydrophobicContact CD1-CD1 4.25Å; L609-Y650 HydrophobicContact CD1-CG 4.14Å; L609-Y650 HydrophobicContact CG-CD1 4.48Å; L609-Y650 VanDerWaalsContact O-CE1 3.32Å; L609-Y650 WeakPolarHBondContact O-CE1 3.39Å; L609-Y650 PolarHBondContact O-OH 3.22Å; T610-Y650 HydrophobicContact CG2-CE2 3.89Å; S646-Y650 VanDerWaalsContact O-CB 3.31Å; S646-Y650 WeakPolarHBondContact O-CB 3.32Å; S646-Y650 PolarHBondContact O-N 3.36Å; C647-Y650 PolarHBondContact O-N 3.01Å; I648-Y650 PolarHBondContact O-N 2.81Å; Y650-A652 VanDerWaalsContact C-N 3.3Å; Y650-A652 PolarHBondContact O-N 3.16Å; Y650-Q653 PolarHBondContact O-N 3.04Å; Y650-L654 HydrophobicContact CD1-CD1 3.9Å; Y650-L654 HydrophobicContact CD1-CG 4.35Å; Y650-L654 HydrophobicContact CE1-CD1 3.5Å; Y650-L654 VanDerWaalsContact CE1-CD1 3.41Å; Y650-L654 HydrophobicContact CE1-CD2 4.45Å; Y650-L654 HydrophobicContact CE1-CG 3.98Å; Y650-L654 HydrophobicContact CE2-CD2 4.33Å; Y650-L654 HydrophobicContact CE2-CG 4.3Å; Y650-L654 WeakPolarHBondContact O-CG 3.4Å; Y650-L654 PolarHBondContact O-N 3.4Å; Y650-F686 AromaticContact CD1-CD2 3.54Å; Y650-F686 HydrophobicContact CD1-CD2 3.54Å; Y650-F686 VanDerWaalsContact CD1-CD2 3.48Å; Y650-F686 AromaticContact CD1-CE2 3.65Å; Y650-F686 HydrophobicContact CD1-CE2 3.65Å; Y650-F686 HydrophobicContact CD1-CG 4.14Å; Y650-F686 HydrophobicContact CD1-CZ 4.24Å; Y650-F686 HydrophobicContact CE1-CB 4.13Å; Y650-F686 AromaticContact CE1-CD2 3.6Å; Y650-F686 HydrophobicContact CE1-CD2 3.6Å; Y650-F686 HydrophobicContact CE1-CE2 4.21Å; Y650-F686 AromaticContact CE1-CG 3.92Å; Y650-F686 HydrophobicContact CE1-CG 3.98Å |
| 651 | T | 74 | Confident | 67.4 | Low | 2.66667 Ų | 2.66667 | 41.9 Ų | 41.9 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 173 | 23.5 | 0 | 0 | 0 | 0 | 111.6 | C647 I648 E649 Q653 L654 M655 F683 F686 L759 H763 L767 | C647-T651 WeakPolarHBondContact O-CB 3.46Å; C647-T651 VanDerWaalsContact O-CG2 3.3Å; C647-T651 WeakPolarHBondContact O-CG2 3.41Å; C647-T651 PolarHBondContact O-N 3.31Å; C647-T651 PolarHBondContact O-OG1 3.1Å; I648-T651 WeakPolarHBondContact CA-OG1 3.34Å; I648-T651 WeakPolarHBondContact O-CB 3.47Å; I648-T651 PolarHBondContact O-N 3.23Å; I648-T651 PolarHBondContact O-OG1 3.45Å; E649-T651 VanDerWaalsContact C-N 3.32Å; E649-T651 PolarHBondContact O-N 3.27Å; T651-Q653 VanDerWaalsContact C-N 3.33Å; T651-Q653 PolarHBondContact O-N 2.97Å; T651-L654 PolarHBondContact O-N 2.81Å; T651-M655 WeakPolarHBondContact O-CG 3.4Å; T651-M655 PolarHBondContact O-N 3.03Å; T651-M655 VanDerWaalsContact O-N 3.17Å; T651-F683 HydrophobicContact CG2-CE1 4.24Å; T651-F683 HydrophobicContact CG2-CE2 4.33Å; T651-F686 HydrophobicContact CG2-CD1 4.29Å; T651-F686 HydrophobicContact CG2-CE1 3.41Å; T651-F686 HydrophobicContact CG2-CZ 3.7Å; T651-F686 WeakPolarHBondContact OG1-CE1 3.45Å; T651-L759 HydrophobicContact CG2-CD2 4.19Å; T651-H763 HydrophobicContact CG2-CB 3.91Å; T651-L767 HydrophobicContact CG2-CD1 4.37Å |
| 652 | A | 70.8 | Confident | 65 | Low | 29 Ų | 29 | 45 Ų | 45 | 24% | 0.24 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | I648 E649 Y650 M655 M656 A864 | I648-A652 WeakPolarHBondContact O-CB 3.49Å; I648-A652 PolarHBondContact O-N 3.2Å; E649-A652 CarbonylContact O-C 3.28Å; E649-A652 WeakPolarHBondContact O-CB 3.08Å; E649-A652 PolarHBondContact O-N 3.18Å; E649-A652 VanDerWaalsContact O-N 3.11Å; Y650-A652 VanDerWaalsContact C-N 3.3Å; Y650-A652 PolarHBondContact O-N 3.16Å; A652-M655 PolarHBondContact O-N 3.18Å; A652-M656 VanDerWaalsContact O-CG 3.27Å; A652-M656 WeakPolarHBondContact O-CG 3.39Å; A652-M656 PolarHBondContact O-N 3.1Å; A652-M656 VanDerWaalsContact O-N 3.16Å; A652-A864 HydrophobicContact CB-CB 3.41Å; A652-A864 VanDerWaalsContact CB-CB 3.41Å |
| 653 | Q | 71.1 | Confident | 62.4 | Low | 36.6667 Ų | 36.6667 | 48.8 Ų | 48.8 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -48.2 | 176.4 | -70.8 | 177.4 | 12.6 | 0 | 0 | 111.6 | E649 Y650 T651 M655 M656 M657 S665 T666 | E649-Q653 WeakPolarHBondContact O-CG 3.41Å; E649-Q653 PolarHBondContact O-N 3.42Å; E649-Q653 PolarHBondContact OE1-NE2 3.31Å; Y650-Q653 PolarHBondContact O-N 3.04Å; T651-Q653 VanDerWaalsContact C-N 3.33Å; T651-Q653 PolarHBondContact O-N 2.97Å; Q653-M655 PolarHBondContact O-N 3.26Å; Q653-M655 VanDerWaalsContact O-N 3.13Å; Q653-M656 CarbonylContact O-C 3.58Å; Q653-M656 WeakPolarHBondContact O-CA 3.3Å; Q653-M656 PolarHBondContact O-N 2.89Å; Q653-M657 VanDerWaalsContact O-CG 3.22Å; Q653-M657 WeakPolarHBondContact O-CG 3.31Å; Q653-M657 PolarHBondContact O-N 3.03Å; Q653-S665 PolarHBondContact NE2-OG 3.41Å; Q653-T666 PolarHBondContact NE2-OG1 3.05Å |
| 654 | L | 69.1 | Low | 59.9 | Low | 2.66667 Ų | 2.66667 | 51 Ų | 51 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.9 | -30.6 | 175.9 | -78.7 | 174.2 | 0 | 0 | 0 | 113 | Y650 T651 M657 V679 A681 N682 F683 F686 A864 | Y650-L654 HydrophobicContact CD1-CD1 3.9Å; Y650-L654 HydrophobicContact CD1-CG 4.35Å; Y650-L654 HydrophobicContact CE1-CD1 3.5Å; Y650-L654 VanDerWaalsContact CE1-CD1 3.41Å; Y650-L654 HydrophobicContact CE1-CD2 4.45Å; Y650-L654 HydrophobicContact CE1-CG 3.98Å; Y650-L654 HydrophobicContact CE2-CD2 4.33Å; Y650-L654 HydrophobicContact CE2-CG 4.3Å; Y650-L654 WeakPolarHBondContact O-CG 3.4Å; Y650-L654 PolarHBondContact O-N 3.4Å; T651-L654 PolarHBondContact O-N 2.81Å; L654-M657 HydrophobicContact CD2-SD 4.26Å; L654-V679 WeakPolarHBondContact O-CG1 3.42Å; L654-A681 HydrophobicContact CD2-CB 3.48Å; L654-A681 VanDerWaalsContact CD2-CB 3.48Å; L654-N682 HydrophobicContact CD2-CB 3.77Å; L654-F683 HydrophobicContact CB-CD2 4.42Å; L654-F683 HydrophobicContact CB-CE1 4.11Å; L654-F683 HydrophobicContact CB-CE2 3.7Å; L654-F683 HydrophobicContact CB-CZ 3.46Å; L654-F683 HydrophobicContact CD1-CD1 3.95Å; L654-F683 HydrophobicContact CD1-CD2 4.23Å; L654-F683 HydrophobicContact CD1-CE1 3.8Å; L654-F683 HydrophobicContact CD1-CE2 4.13Å; L654-F683 HydrophobicContact CD1-CG 4.28Å; L654-F683 HydrophobicContact CD1-CZ 3.99Å; L654-F683 HydrophobicContact CG-CE1 4.42Å; L654-F683 HydrophobicContact CG-CE2 4.4Å; L654-F683 HydrophobicContact CG-CZ 4.38Å; L654-F686 HydrophobicContact CD1-CB 4.43Å; L654-A864 HydrophobicContact CB-CB 4.41Å; L654-A864 HydrophobicContact CD2-CB 4.39Å; L654-A864 WeakPolarHBondContact O-CB 3.23Å |
| 655 | M | 62.4 | Low | 57.8 | Low | 24 Ų | 24 | 54.5 Ų | 54.5 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -82.2 | -26.7 | 176.9 | -66.5 | -96.1 | 104.5 | 0 | 0 | 113.3 | T651 A652 Q653 M657 S658 F683 D766 V770 A864 L865 P866 | T651-M655 WeakPolarHBondContact O-CG 3.4Å; T651-M655 PolarHBondContact O-N 3.03Å; T651-M655 VanDerWaalsContact O-N 3.17Å; A652-M655 PolarHBondContact O-N 3.18Å; Q653-M655 PolarHBondContact O-N 3.26Å; Q653-M655 VanDerWaalsContact O-N 3.13Å; M655-M657 VanDerWaalsContact C-N 3.29Å; M655-S658 WeakPolarHBondContact O-CB 3.48Å; M655-S658 PolarHBondContact O-N 3.39Å; M655-S658 PolarHBondContact O-OG 3.13Å; M655-F683 HydrophobicContact CE-CD2 4.27Å; M655-F683 HydrophobicContact CE-CE1 4.14Å; M655-F683 HydrophobicContact CE-CE2 3.35Å; M655-F683 HydrophobicContact CE-CZ 3.42Å; M655-F683 HydrophobicContact CG-CE2 4.41Å; M655-F683 HydrophobicContact CG-CZ 3.98Å; M655-F683 HydrophobicContact SD-CE2 4Å; M655-F683 HydrophobicContact SD-CZ 3.93Å; M655-D766 HydrophobicContact CE-CB 3.31Å; M655-D766 VanDerWaalsContact CE-CG 3.44Å; M655-D766 WeakPolarHBondContact CE-OD2 3.41Å; M655-V770 HydrophobicContact CE-CB 4.14Å; M655-V770 HydrophobicContact CE-CG1 3.66Å; M655-V770 HydrophobicContact CE-CG2 3.36Å; M655-V770 HydrophobicContact SD-CB 4.41Å; M655-V770 HydrophobicContact SD-CG1 3.41Å; M655-V770 WeakPolarHBondContact SD-CG1 3.35Å; M655-V770 HydrophobicContact SD-CG2 4.09Å; M655-A864 HydrophobicContact CE-CB 4.41Å; M655-A864 WeakPolarHBondContact CE-O 3.39Å; M655-A864 VanDerWaalsContact SD-O 3.41Å; M655-L865 HydrophobicContact CE-CD1 3.59Å; M655-L865 HydrophobicContact CE-CG 4.18Å; M655-L865 HydrophobicContact SD-CD1 4.38Å; M655-P866 HydrophobicContact CE-CB 4.12Å; M655-P866 HydrophobicContact CE-CG 3.77Å |
| 656 | M | 55.2 | Low | 56.2 | Low | 91.3333 Ų | 91.3333 | 54 Ų | 54 | 45% | 0.45 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -85.9 | -18 | 178.3 | -67 | -59.4 | -33.1 | 0 | 0 | 113.4 | A652 Q653 S658 D659 L863 | A652-M656 VanDerWaalsContact O-CG 3.27Å; A652-M656 WeakPolarHBondContact O-CG 3.39Å; A652-M656 PolarHBondContact O-N 3.1Å; A652-M656 VanDerWaalsContact O-N 3.16Å; Q653-M656 CarbonylContact O-C 3.58Å; Q653-M656 WeakPolarHBondContact O-CA 3.3Å; Q653-M656 PolarHBondContact O-N 2.89Å; M656-S658 PolarHBondContact O-N 3.12Å; M656-S658 VanDerWaalsContact O-N 3.07Å; M656-D659 CarbonylContact O-C 3.2Å; M656-D659 PolarHBondContact O-N 3.13Å; M656-D659 VanDerWaalsContact O-N 3.09Å; M656-L863 WeakPolarHBondContact CE-O 3.46Å; M656-L863 HydrophobicContact SD-CB 3.95Å; M656-L863 HydrophobicContact SD-CD2 4.17Å; M656-L863 HydrophobicContact SD-CG 4.41Å |
| 657 | M | 49 | Very low | 54.3 | Low | 103 Ų | 103 | 55 Ų | 55 | 51% | 0.507 | 33% | 0.327 | S | S | . | . | trans | -64.7 | 49.1 | 175.4 | -69.7 | 174.8 | 83.2 | 0 | 0 | 112.6 | Q653 L654 M655 A681 | Q653-M657 VanDerWaalsContact O-CG 3.22Å; Q653-M657 WeakPolarHBondContact O-CG 3.31Å; Q653-M657 PolarHBondContact O-N 3.03Å; L654-M657 HydrophobicContact CD2-SD 4.26Å; M655-M657 VanDerWaalsContact C-N 3.29Å; M657-A681 HydrophobicContact CE-CB 4.15Å; M657-A681 HydrophobicContact SD-CB 4.24Å | ||
| 658 | S | 45.5 | Very low | 52.1 | Low | 61 Ų | 61 | 58.2 Ų | 58.2 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | trans | -90.7 | -19 | 171.9 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | M655 M656 N861 | M655-S658 WeakPolarHBondContact O-CB 3.48Å; M655-S658 PolarHBondContact O-N 3.39Å; M655-S658 PolarHBondContact O-OG 3.13Å; M656-S658 PolarHBondContact O-N 3.12Å; M656-S658 VanDerWaalsContact O-N 3.07Å; S658-N861 WeakPolarHBondContact CB-OD1 3.2Å | ||
| 659 | D | 32.9 | Very low | 50.1 | Low | 88.6667 Ų | 88.6667 | 60.8 Ų | 60.8 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -119.2 | 112.4 | 177 | -130.2 | -9.1 | 0 | 0 | 0 | 107.8 | M656 S661 L662 Q1093 | M656-D659 CarbonylContact O-C 3.2Å; M656-D659 PolarHBondContact O-N 3.13Å; M656-D659 VanDerWaalsContact O-N 3.09Å; D659-S661 VanDerWaalsContact C-N 3.29Å; D659-S661 WeakPolarHBondContact O-CB 3.38Å; D659-S661 PolarHBondContact O-N 3.36Å; D659-S661 PolarHBondContact O-OG 3.29Å; D659-L662 HydrophobicContact CB-CD1 4.32Å; D659-L662 PolarHBondContact O-N 3.36Å; D659-Q1093 PolarHBondContact OD2-NE2 3.29Å; D659-Q1093 VanDerWaalsContact OD2-NE2 3.12Å; D659-Q1093 PolarHBondContact OD2-OE1 3.13Å |
| 660 | G | 37.2 | Very low | 47.9 | Very low | 90.3333 Ų | 90.3333 | 60.9 Ų | 60.9 | 93% | 0.931 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -64.4 | 39.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 661 | S | 30.7 | Very low | 45.5 | Very low | 80.6667 Ų | 80.6667 | 66.3 Ų | 66.3 | 56% | 0.564 | 40% | 0.403 | S | S | * | . | trans | -143.4 | 15.7 | -169.1 | 146.6 | 0 | 0 | 0 | 0 | 112.5 | D659 E663 | D659-S661 VanDerWaalsContact C-N 3.29Å; D659-S661 WeakPolarHBondContact O-CB 3.38Å; D659-S661 PolarHBondContact O-N 3.36Å; D659-S661 PolarHBondContact O-OG 3.29Å; S661-E663 VanDerWaalsContact C-N 3.34Å; S661-E663 PolarHBondContact O-N 2.96Å; S661-E663 VanDerWaalsContact O-N 3.12Å | ||
| 662 | L | 32.5 | Very low | 43.3 | Very low | 121.667 Ų | 121.667 | 74.8 Ų | 74.8 | 64% | 0.637 | 44% | 0.443 | S | S | * | . | trans | -114.5 | 109.7 | 166.3 | -85.4 | 127.9 | 0 | 0 | 0 | 108.8 | D659 | D659-L662 HydrophobicContact CB-CD1 4.32Å; D659-L662 PolarHBondContact O-N 3.36Å | ||
| 663 | E | 31.4 | Very low | 41.3 | Very low | 116.667 Ų | 116.667 | 79.3 Ų | 79.3 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | trans | -55.1 | 136 | 166.8 | -135.7 | 170.4 | 168.8 | 0 | 0 | 109.2 | S661 S665 P668 K1091 | S661-E663 VanDerWaalsContact C-N 3.34Å; S661-E663 PolarHBondContact O-N 2.96Å; S661-E663 VanDerWaalsContact O-N 3.12Å; E663-S665 PolarHBondContact O-N 3.17Å; E663-P668 WeakPolarHBondContact OE1-CA 3.35Å; E663-P668 WeakPolarHBondContact OE1-CB 3.45Å; E663-K1091 IonicContact OE2-NZ 2.85Å; E663-K1091 PolarHBondContact OE2-NZ 2.87Å | ||
| 664 | P | 34.3 | Very low | 39.2 | Very low | 46.3333 Ų | 46.3333 | 83 Ų | 83 | 30% | 0.301 | 50% | 0.497 | S | S | . | . | trans | -57.3 | 125.1 | 172.7 | 23.9 | -31.5 | 0 | 0 | 0 | 108.2 | T666 L667 L669 | P664-T666 PolarHBondContact O-N 3.24Å; P664-L667 PolarHBondContact O-N 3.31Å; P664-L669 HydrophobicContact CG-CB 4.2Å; P664-L669 HydrophobicContact CG-CD1 4.24Å | ||
| 665 | S | 40.3 | Very low | 37.2 | Very low | 80.6667 Ų | 80.6667 | 89.1 Ų | 89.1 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -68.6 | 19 | -171.5 | 41.9 | 0 | 0 | 0 | 0 | 114.9 | E649 Q653 E663 | E649-S665 PolarHBondContact OE1-OG 3.14Å; Q653-S665 PolarHBondContact NE2-OG 3.41Å; E663-S665 PolarHBondContact O-N 3.17Å |
| 666 | T | 45.1 | Very low | 35.7 | Very low | 29.3333 Ų | 29.3333 | 95.5 Ų | 95.5 | 18% | 0.18 | 56% | 0.564 | C | S | . | * | S | Bend | trans | -139.4 | 55.7 | -177 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | H603 Q653 P664 | H603-T666 WeakPolarHBondContact CE1-CB 3.46Å; H603-T666 WeakPolarHBondContact CE1-CG2 3.27Å; H603-T666 VanDerWaalsContact CG-OG1 3.31Å; H603-T666 WeakPolarHBondContact ND1-CB 3.36Å; H603-T666 WeakPolarHBondContact ND1-CG2 3.35Å; H603-T666 PolarHBondContact ND1-OG1 2.93Å; Q653-T666 PolarHBondContact NE2-OG1 3.05Å; P664-T666 PolarHBondContact O-N 3.24Å |
| 667 | L | 42.5 | Very low | 34.6 | Very low | 25 Ų | 25 | 99 Ų | 99 | 13% | 0.131 | 58% | 0.579 | C | S | . | * | S | Bend | trans | 87.9 | 127.1 | 175.6 | -65.2 | 170.4 | 0 | 0 | 0 | 113.8 | K574 F577 F578 M600 H603 P664 L669 | K574-L667 HydrophobicContact CB-CD2 4.1Å; K574-L667 HydrophobicContact CD-CD2 3.4Å; K574-L667 VanDerWaalsContact CE-CD2 3.45Å; K574-L667 HydrophobicContact CG-CD2 3.41Å; K574-L667 VanDerWaalsContact CG-CD2 3.41Å; F577-L667 HydrophobicContact CB-CD1 4.46Å; F577-L667 HydrophobicContact CD1-CD1 3.69Å; F577-L667 HydrophobicContact CE1-CD1 3.73Å; F577-L667 HydrophobicContact CG-CD1 3.94Å; F577-L667 HydrophobicContact CZ-CD1 4.48Å; F578-L667 HydrophobicContact CE1-CD2 4.04Å; F578-L667 HydrophobicContact CE2-CD2 4.19Å; F578-L667 HydrophobicContact CZ-CD2 3.53Å; M600-L667 HydrophobicContact CE-CD1 4.22Å; H603-L667 HydrophobicContact CB-CD1 3.89Å; H603-L667 HydrophobicContact CB-CG 4.4Å; P664-L667 PolarHBondContact O-N 3.31Å; L667-L669 PolarHBondContact O-N 3.14Å |
| 668 | P | 35.6 | Very low | 34.1 | Very low | 67.3333 Ų | 67.3333 | 101.3 Ų | 101.3 | 44% | 0.437 | 59% | 0.588 | S | S | . | * | trans | -64.1 | 127.3 | -178.3 | 25.5 | -32.7 | 0 | 0 | 0 | 110.8 | E663 | E663-P668 WeakPolarHBondContact OE1-CA 3.35Å; E663-P668 WeakPolarHBondContact OE1-CB 3.45Å | ||
| 669 | L | 35.6 | Very low | 34 | Very low | 92.3333 Ų | 92.3333 | 102.2 Ų | 102.2 | 48% | 0.483 | 59% | 0.591 | S | S | . | * | trans | -66.8 | 141.8 | 172.7 | -147.7 | 75.9 | 0 | 0 | 0 | 108.6 | Y607 P664 L667 T671 | Y607-L669 HydrophobicContact CD2-CD1 4.11Å; Y607-L669 HydrophobicContact CE2-CD1 3.97Å; P664-L669 HydrophobicContact CG-CB 4.2Å; P664-L669 HydrophobicContact CG-CD1 4.24Å; L667-L669 PolarHBondContact O-N 3.14Å; L669-T671 VanDerWaalsContact C-N 3.34Å; L669-T671 PolarHBondContact O-N 3.19Å | ||
| 670 | P | 31.6 | Very low | 34.6 | Very low | 77.3333 Ų | 77.3333 | 101 Ų | 101 | 50% | 0.502 | 59% | 0.589 | S | S | . | * | trans | -63.6 | 97.9 | 178.4 | -3.4 | 9.3 | 0 | 0 | 0 | 111 | F578 Q672 | F578-P670 HydrophobicContact CD2-CG 4.14Å; F578-P670 HydrophobicContact CE1-CB 4.33Å; F578-P670 HydrophobicContact CE1-CG 4.36Å; F578-P670 HydrophobicContact CE2-CB 3.74Å; F578-P670 HydrophobicContact CE2-CG 3.53Å; F578-P670 HydrophobicContact CZ-CB 3.47Å; F578-P670 VanDerWaalsContact CZ-CB 3.47Å; F578-P670 HydrophobicContact CZ-CG 3.66Å; P670-Q672 PolarHBondContact O-N 3.39Å | ||
| 671 | T | 29.1 | Very low | 35.4 | Very low | 125.333 Ų | 125.333 | 98 Ų | 98 | 77% | 0.769 | 56% | 0.556 | S | S | * | * | trans | -40.4 | 111.5 | 158.8 | 35.4 | 0 | 0 | 0 | 0 | 112.1 | L669 | L669-T671 VanDerWaalsContact C-N 3.34Å; L669-T671 PolarHBondContact O-N 3.19Å | ||
| 672 | Q | 27.3 | Very low | 37.1 | Very low | 181.667 Ų | 181.667 | 96.3 Ų | 96.3 | 85% | 0.849 | 54% | 0.541 | S | S | * | . | trans | 111.4 | 79.5 | 165.9 | -68.6 | 174.6 | 39.7 | 0 | 0 | 114.9 | P670 | P670-Q672 PolarHBondContact O-N 3.39Š| ||
| 673 | V | 28.8 | Very low | 38.9 | Very low | 122.333 Ų | 122.333 | 90.8 Ų | 90.8 | 74% | 0.741 | 51% | 0.511 | S | S | * | . | trans | -136.9 | 119.5 | 131.7 | 179 | 0 | 0 | 0 | 0 | 106.7 | D675 | V673-D675 VanDerWaalsContact C-N 3.3Å; V673-D675 PolarHBondContact O-N 3.27Å | ||
| 674 | S | 27.9 | Very low | 40.7 | Very low | 116 Ų | 116 | 86.7 Ų | 86.7 | 81% | 0.811 | 50% | 0.496 | S | S | * | . | trans | -79 | 92.3 | 173 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 675 | D | 27.1 | Very low | 42.7 | Very low | 129.333 Ų | 129.333 | 87.8 Ų | 87.8 | 69% | 0.692 | 50% | 0.497 | S | S | * | . | trans | -156.4 | 134.8 | 160.9 | -101.1 | -35.5 | 0 | 0 | 0 | 111.2 | V673 H677 | V673-D675 VanDerWaalsContact C-N 3.3Å; V673-D675 PolarHBondContact O-N 3.27Å; D675-H677 PolarHBondContact O-N 3.19Å; D675-H677 VanDerWaalsContact O-N 3.11Å | ||
| 676 | N | 30.3 | Very low | 44.6 | Very low | 159.333 Ų | 159.333 | 84 Ų | 84 | 85% | 0.852 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -69.4 | 28.9 | -169.1 | -79 | -31.8 | 0 | 0 | 0 | 115.5 | ||
| 677 | H | 32.5 | Very low | 46.1 | Very low | 165 Ų | 165 | 82.7 Ų | 82.7 | 76% | 0.764 | 46% | 0.462 | S | S | * | . | trans | -102.2 | 50.3 | 171.8 | -77.3 | -56.1 | 0 | 0 | 0 | 111.6 | D675 V679 S680 | D675-H677 PolarHBondContact O-N 3.19Å; D675-H677 VanDerWaalsContact O-N 3.11Å; H677-V679 VanDerWaalsContact C-N 3.31Å; H677-V679 PolarHBondContact O-N 3.1Å; H677-S680 PolarHBondContact O-OG 2.71Å | ||
| 678 | H | 38.4 | Very low | 47.8 | Very low | 151.667 Ų | 151.667 | 86.7 Ų | 86.7 | 70% | 0.702 | 48% | 0.48 | S | S | * | . | trans | -59.5 | 69.7 | 166.2 | -78.2 | -79.5 | 0 | 0 | 0 | 109.8 | S680 A681 N682 | H678-S680 VanDerWaalsContact C-N 3.29Å; H678-S680 PolarHBondContact O-N 3.44Å; H678-A681 PolarHBondContact O-N 3.4Å; H678-N682 VanDerWaalsContact O-CG 3.28Å; H678-N682 PolarHBondContact O-N 2.85Å; H678-N682 PolarHBondContact O-OD1 2.81Å | ||
| 679 | V | 42.2 | Very low | 49.9 | Very low | 79 Ų | 79 | 84.1 Ų | 84.1 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | trans | -61.5 | 65.2 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | L654 H677 A681 F683 | L654-V679 WeakPolarHBondContact O-CG1 3.42Å; H677-V679 VanDerWaalsContact C-N 3.31Å; H677-V679 PolarHBondContact O-N 3.1Å; V679-A681 VanDerWaalsContact C-N 3.32Å; V679-A681 PolarHBondContact O-N 3.18Å; V679-F683 PolarHBondContact O-N 2.77Å | ||
| 680 | S | 46.2 | Very low | 52 | Low | 63 Ų | 63 | 79.7 Ų | 79.7 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | trans | -67.7 | 71.8 | 174 | 55.6 | 0 | 0 | 0 | 0 | 109 | H677 H678 N682 S684 Q685 | H677-S680 PolarHBondContact O-OG 2.71Å; H678-S680 VanDerWaalsContact C-N 3.29Å; H678-S680 PolarHBondContact O-N 3.44Å; S680-N682 PolarHBondContact O-N 3.12Å; S680-N682 PolarHBondContact O-ND2 3.01Å; S680-N682 PolarHBondContact O-OD1 3.12Å; S680-N682 PolarHBondContact OG-ND2 2.94Å; S680-N682 VanDerWaalsContact OG-ND2 3.11Å; S680-S684 PolarHBondContact O-N 3.5Å; S680-Q685 PolarHBondContact O-OE1 3.19Å | ||
| 681 | A | 53.7 | Low | 54.2 | Low | 27 Ų | 27 | 77.8 Ų | 77.8 | 22% | 0.223 | 43% | 0.425 | C | S | . | . | trans | -64.5 | 85 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L654 M657 H678 V679 F683 S684 Q685 | L654-A681 HydrophobicContact CD2-CB 3.48Å; L654-A681 VanDerWaalsContact CD2-CB 3.48Å; M657-A681 HydrophobicContact CE-CB 4.15Å; M657-A681 HydrophobicContact SD-CB 4.24Å; H678-A681 PolarHBondContact O-N 3.4Å; V679-A681 VanDerWaalsContact C-N 3.32Å; V679-A681 PolarHBondContact O-N 3.18Å; A681-F683 PolarHBondContact O-N 3.01Å; A681-S684 PolarHBondContact O-N 3.15Å; A681-S684 VanDerWaalsContact O-N 3.11Å; A681-Q685 WeakPolarHBondContact O-CB 3.39Å; A681-Q685 WeakPolarHBondContact O-CG 3.49Å; A681-Q685 PolarHBondContact O-N 2.9Å | ||
| 682 | N | 66.1 | Low | 56.5 | Low | 47 Ų | 47 | 73 Ų | 73 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | trans | -97.2 | 126.5 | -177.6 | -67.4 | -11.4 | 0 | 0 | 0 | 109.7 | L654 H678 S680 S684 Q685 F686 | L654-N682 HydrophobicContact CD2-CB 3.77Å; H678-N682 VanDerWaalsContact O-CG 3.28Å; H678-N682 PolarHBondContact O-N 2.85Å; H678-N682 PolarHBondContact O-OD1 2.81Å; S680-N682 PolarHBondContact O-N 3.12Å; S680-N682 PolarHBondContact O-ND2 3.01Å; S680-N682 PolarHBondContact O-OD1 3.12Å; S680-N682 PolarHBondContact OG-ND2 2.94Å; S680-N682 VanDerWaalsContact OG-ND2 3.11Å; N682-S684 PolarHBondContact O-N 3.12Å; N682-Q685 PolarHBondContact O-N 3.45Å; N682-F686 VanDerWaalsContact O-CB 3.3Å; N682-F686 WeakPolarHBondContact O-CB 3.32Å; N682-F686 PolarHBondContact O-N 3.09Å | ||
| 683 | F | 70.9 | Confident | 58.9 | Low | 4.33333 Ų | 4.33333 | 64.4 Ų | 64.4 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.6 | -31.6 | 176.1 | -106.3 | -82.1 | 0 | 0 | 0 | 113.1 | T651 L654 M655 V679 A681 F686 I687 L767 V770 L771 C774 A864 L865 | T651-F683 HydrophobicContact CG2-CE1 4.24Å; T651-F683 HydrophobicContact CG2-CE2 4.33Å; L654-F683 HydrophobicContact CB-CD2 4.42Å; L654-F683 HydrophobicContact CB-CE1 4.11Å; L654-F683 HydrophobicContact CB-CE2 3.7Å; L654-F683 HydrophobicContact CB-CZ 3.46Å; L654-F683 HydrophobicContact CD1-CD1 3.95Å; L654-F683 HydrophobicContact CD1-CD2 4.23Å; L654-F683 HydrophobicContact CD1-CE1 3.8Å; L654-F683 HydrophobicContact CD1-CE2 4.13Å; L654-F683 HydrophobicContact CD1-CG 4.28Å; L654-F683 HydrophobicContact CD1-CZ 3.99Å; L654-F683 HydrophobicContact CG-CE1 4.42Å; L654-F683 HydrophobicContact CG-CE2 4.4Å; L654-F683 HydrophobicContact CG-CZ 4.38Å; M655-F683 HydrophobicContact CE-CD2 4.27Å; M655-F683 HydrophobicContact CE-CE1 4.14Å; M655-F683 HydrophobicContact CE-CE2 3.35Å; M655-F683 HydrophobicContact CE-CZ 3.42Å; M655-F683 HydrophobicContact CG-CE2 4.41Å; M655-F683 HydrophobicContact CG-CZ 3.98Å; M655-F683 HydrophobicContact SD-CE2 4Å; M655-F683 HydrophobicContact SD-CZ 3.93Å; V679-F683 PolarHBondContact O-N 2.77Å; A681-F683 PolarHBondContact O-N 3.01Å; F683-F686 HydrophobicContact CD1-CD1 4.41Å; F683-F686 PolarHBondContact O-N 3.06Å; F683-I687 HydrophobicContact CD1-CD1 4.48Å; F683-I687 HydrophobicContact CD1-CG1 3.8Å; F683-I687 HydrophobicContact CE1-CD1 3.78Å; F683-I687 HydrophobicContact CE1-CG1 3.52Å; F683-I687 HydrophobicContact CZ-CD1 4.22Å; F683-I687 HydrophobicContact CZ-CG1 4.4Å; F683-I687 VanDerWaalsContact O-CG1 3.31Å; F683-I687 WeakPolarHBondContact O-CG1 3.4Å; F683-I687 PolarHBondContact O-N 3.2Å; F683-L767 HydrophobicContact CD1-CD1 4.01Å; F683-L767 HydrophobicContact CE1-CD1 4.44Å; F683-V770 HydrophobicContact CB-CB 4.22Å; F683-V770 HydrophobicContact CB-CG1 3.78Å; F683-V770 HydrophobicContact CB-CG2 3.84Å; F683-V770 HydrophobicContact CE2-CG1 4.24Å; F683-V770 HydrophobicContact CG-CG2 4.34Å; F683-V770 HydrophobicContact CZ-CG1 4.29Å; F683-L771 HydrophobicContact CZ-CD1 4.41Å; F683-C774 HydrophobicContact CD1-CB 3.45Å; F683-C774 VanDerWaalsContact CD1-CB 3.45Å; F683-C774 HydrophobicContact CD2-CB 4.19Å; F683-C774 HydrophobicContact CE1-CB 3.29Å; F683-C774 HydrophobicContact CE2-CB 4.06Å; F683-C774 HydrophobicContact CG-CB 3.91Å; F683-C774 HydrophobicContact CZ-CB 3.62Å; F683-A864 HydrophobicContact CD2-CB 3.69Å; F683-A864 HydrophobicContact CE2-CB 3.65Å; F683-A864 PolarHBondContact N-O 3.21Å; F683-L865 HydrophobicContact CD2-CG 4.38Å |
| 684 | S | 69.8 | Low | 61.2 | Low | 32.3333 Ų | 32.3333 | 61.3 Ų | 61.3 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 175.6 | 106.6 | 0 | 0 | 0 | 0 | 111.9 | S680 A681 N682 F686 I687 E688 C774 | S680-S684 PolarHBondContact O-N 3.5Å; A681-S684 PolarHBondContact O-N 3.15Å; A681-S684 VanDerWaalsContact O-N 3.11Å; N682-S684 PolarHBondContact O-N 3.12Å; S684-F686 VanDerWaalsContact C-N 3.32Å; S684-F686 PolarHBondContact O-N 3.2Å; S684-I687 PolarHBondContact O-N 3.25Å; S684-E688 VanDerWaalsContact C-OE1 3.24Å; S684-E688 WeakPolarHBondContact CB-OE1 3.4Å; S684-E688 WeakPolarHBondContact O-CB 3.32Å; S684-E688 VanDerWaalsContact O-CG 3.29Å; S684-E688 WeakPolarHBondContact O-CG 3.45Å; S684-E688 PolarHBondContact O-N 3.27Å; S684-E688 PolarHBondContact OG-OE1 3.11Å; S684-C774 PolarHBondContact OG-SG 3.11Å |
| 685 | Q | 76.5 | Confident | 63.3 | Low | 69.3333 Ų | 69.3333 | 56.7 Ų | 56.7 | 32% | 0.324 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.8 | -75.5 | 176.3 | -23.3 | 0 | 0 | 111.7 | T611 S680 A681 N682 E688 L689 | T611-Q685 HydrophobicContact CG2-CB 3.91Å; T611-Q685 WeakPolarHBondContact CG2-O 3.47Å; S680-Q685 PolarHBondContact O-OE1 3.19Å; A681-Q685 WeakPolarHBondContact O-CB 3.39Å; A681-Q685 WeakPolarHBondContact O-CG 3.49Å; A681-Q685 PolarHBondContact O-N 2.9Å; N682-Q685 PolarHBondContact O-N 3.45Å; Q685-E688 PolarHBondContact O-N 2.97Å; Q685-L689 VanDerWaalsContact O-CB 3.26Å; Q685-L689 WeakPolarHBondContact O-CB 3.26Å; Q685-L689 PolarHBondContact O-N 3.44Å |
| 686 | F | 80.1 | Confident | 65.2 | Low | 0.666667 Ų | 0.666667 | 53.7 Ų | 53.7 | 0% | 0.003 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 173.8 | 173.6 | -114.2 | 0 | 0 | 0 | 112.2 | L609 C647 Y650 T651 L654 N682 F683 S684 L689 L690 L767 | L609-F686 HydrophobicContact CD1-CE2 4.2Å; L609-F686 HydrophobicContact CD2-CD2 4.06Å; L609-F686 HydrophobicContact CD2-CE2 3.72Å; L609-F686 HydrophobicContact CG-CE2 4.37Å; C647-F686 HydrophobicContact CB-CZ 4.18Å; Y650-F686 AromaticContact CD1-CD2 3.54Å; Y650-F686 HydrophobicContact CD1-CD2 3.54Å; Y650-F686 VanDerWaalsContact CD1-CD2 3.48Å; Y650-F686 AromaticContact CD1-CE2 3.65Å; Y650-F686 HydrophobicContact CD1-CE2 3.65Å; Y650-F686 HydrophobicContact CD1-CG 4.14Å; Y650-F686 HydrophobicContact CD1-CZ 4.24Å; Y650-F686 HydrophobicContact CE1-CB 4.13Å; Y650-F686 AromaticContact CE1-CD2 3.6Å; Y650-F686 HydrophobicContact CE1-CD2 3.6Å; Y650-F686 HydrophobicContact CE1-CE2 4.21Å; Y650-F686 AromaticContact CE1-CG 3.92Å; Y650-F686 HydrophobicContact CE1-CG 3.98Å; T651-F686 HydrophobicContact CG2-CD1 4.29Å; T651-F686 HydrophobicContact CG2-CE1 3.41Å; T651-F686 HydrophobicContact CG2-CZ 3.7Å; T651-F686 WeakPolarHBondContact OG1-CE1 3.45Å; L654-F686 HydrophobicContact CD1-CB 4.43Å; N682-F686 VanDerWaalsContact O-CB 3.3Å; N682-F686 WeakPolarHBondContact O-CB 3.32Å; N682-F686 PolarHBondContact O-N 3.09Å; F683-F686 HydrophobicContact CD1-CD1 4.41Å; F683-F686 PolarHBondContact O-N 3.06Å; S684-F686 VanDerWaalsContact C-N 3.32Å; S684-F686 PolarHBondContact O-N 3.2Å; F686-L689 PolarHBondContact O-N 3.01Å; F686-L690 HydrophobicContact CD1-CD1 4.29Å; F686-L690 HydrophobicContact CD2-CD1 4.41Å; F686-L690 HydrophobicContact CD2-CG 4.38Å; F686-L690 HydrophobicContact CE1-CD1 3.68Å; F686-L690 HydrophobicContact CE1-CG 4.4Å; F686-L690 HydrophobicContact CE2-CD1 3.95Å; F686-L690 HydrophobicContact CE2-CD2 4.24Å; F686-L690 HydrophobicContact CE2-CG 4.05Å; F686-L690 HydrophobicContact CZ-CD1 3.5Å; F686-L690 VanDerWaalsContact CZ-CD1 3.45Å; F686-L690 HydrophobicContact CZ-CD2 4.41Å; F686-L690 HydrophobicContact CZ-CG 4.12Å; F686-L690 WeakPolarHBondContact O-CG 3.23Å; F686-L690 PolarHBondContact O-N 3.3Å; F686-L767 HydrophobicContact CD1-CD1 3.92Å; F686-L767 HydrophobicContact CE1-CD1 3.87Å |
| 687 | I | 76.8 | Confident | 66.6 | Low | 1.33333 Ų | 1.33333 | 52.5 Ų | 52.5 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 177.1 | -69.9 | -91.8 | 0 | 0 | 0 | 111.6 | F683 S684 L689 L690 I691 L704 L722 L767 V770 L771 | F683-I687 HydrophobicContact CD1-CD1 4.48Å; F683-I687 HydrophobicContact CD1-CG1 3.8Å; F683-I687 HydrophobicContact CE1-CD1 3.78Å; F683-I687 HydrophobicContact CE1-CG1 3.52Å; F683-I687 HydrophobicContact CZ-CD1 4.22Å; F683-I687 HydrophobicContact CZ-CG1 4.4Å; F683-I687 VanDerWaalsContact O-CG1 3.31Å; F683-I687 WeakPolarHBondContact O-CG1 3.4Å; F683-I687 PolarHBondContact O-N 3.2Å; S684-I687 PolarHBondContact O-N 3.25Å; I687-L689 VanDerWaalsContact C-N 3.3Å; I687-L689 PolarHBondContact O-N 3.31Å; I687-L690 PolarHBondContact O-N 3.15Å; I687-I691 HydrophobicContact CG2-CD1 3.68Å; I687-I691 HydrophobicContact CG2-CG1 4.35Å; I687-I691 WeakPolarHBondContact O-CD1 3.42Å; I687-I691 VanDerWaalsContact O-CG1 3.27Å; I687-I691 WeakPolarHBondContact O-CG1 3.42Å; I687-I691 PolarHBondContact O-N 3.02Å; I687-L704 HydrophobicContact CD1-CD1 3.99Å; I687-L704 HydrophobicContact CD1-CD2 4.28Å; I687-L722 HydrophobicContact CG2-CD2 4.13Å; I687-L767 HydrophobicContact CD1-CD1 3.62Å; I687-L767 VanDerWaalsContact CD1-CD1 3.4Å; I687-L767 HydrophobicContact CD1-CD2 4.42Å; I687-L767 HydrophobicContact CD1-CG 4.06Å; I687-L767 HydrophobicContact CG1-CD1 3.83Å; I687-V770 HydrophobicContact CD1-CB 3.77Å; I687-V770 HydrophobicContact CD1-CG1 3.66Å; I687-V770 HydrophobicContact CG1-CG1 4.2Å; I687-L771 HydrophobicContact CD1-CB 4.28Å; I687-L771 HydrophobicContact CD1-CD1 3.53Å; I687-L771 HydrophobicContact CD1-CG 4.16Å; I687-L771 HydrophobicContact CG2-CD1 3.76Å |
| 688 | E | 76.8 | Confident | 67.9 | Low | 109.667 Ų | 109.667 | 47.5 Ų | 47.5 | 51% | 0.512 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 175.9 | -73.8 | 165.8 | -149.5 | 0 | 0 | 111.2 | S684 Q685 I691 S692 | S684-E688 VanDerWaalsContact C-OE1 3.24Å; S684-E688 WeakPolarHBondContact CB-OE1 3.4Å; S684-E688 WeakPolarHBondContact O-CB 3.32Å; S684-E688 VanDerWaalsContact O-CG 3.29Å; S684-E688 WeakPolarHBondContact O-CG 3.45Å; S684-E688 PolarHBondContact O-N 3.27Å; S684-E688 PolarHBondContact OG-OE1 3.11Å; Q685-E688 PolarHBondContact O-N 2.97Å; E688-I691 PolarHBondContact O-N 3.22Å; E688-S692 WeakPolarHBondContact O-CB 3.47Å; E688-S692 PolarHBondContact O-N 2.9Å; E688-S692 VanDerWaalsContact O-N 3.08Å |
| 689 | L | 80.3 | Confident | 68.7 | Low | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 174.2 | 178.5 | 125 | 0 | 0 | 0 | 112 | L609 T611 S615 Q616 L619 Q685 F686 I687 I691 S692 I693 | L609-L689 HydrophobicContact CD2-CD2 3.88Å; T611-L689 HydrophobicContact CG2-CB 4.09Å; T611-L689 HydrophobicContact CG2-CD1 3.82Å; T611-L689 HydrophobicContact CG2-CD2 4.05Å; T611-L689 HydrophobicContact CG2-CG 4.45Å; S615-L689 WeakPolarHBondContact OG-CD1 3.48Å; Q616-L689 HydrophobicContact CB-CD1 4.35Å; L619-L689 HydrophobicContact CD1-CD1 4.29Å; L619-L689 HydrophobicContact CD1-CD2 3.74Å; L619-L689 HydrophobicContact CD1-CG 4.22Å; Q685-L689 VanDerWaalsContact O-CB 3.26Å; Q685-L689 WeakPolarHBondContact O-CB 3.26Å; Q685-L689 PolarHBondContact O-N 3.44Å; F686-L689 PolarHBondContact O-N 3.01Å; I687-L689 VanDerWaalsContact C-N 3.3Å; I687-L689 PolarHBondContact O-N 3.31Å; L689-I691 VanDerWaalsContact C-N 3.27Å; L689-I691 PolarHBondContact O-N 3.14Å; L689-S692 WeakPolarHBondContact CA-OG 3.47Å; L689-S692 WeakPolarHBondContact O-CB 3.38Å; L689-S692 PolarHBondContact O-N 3.16Å; L689-S692 VanDerWaalsContact O-N 3.09Å; L689-S692 PolarHBondContact O-OG 3.04Å; L689-I693 HydrophobicContact CD2-CD1 4.06Å; L689-I693 WeakPolarHBondContact O-CG1 3.12Å; L689-I693 PolarHBondContact O-N 3.02Å |
| 690 | L | 80.8 | Confident | 69.6 | Low | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -34.7 | 177.8 | -71.5 | -174 | 0 | 0 | 0 | 113 | L609 F643 F686 I687 S692 I693 C701 V703 L704 L707 | L609-L690 HydrophobicContact CD2-CD2 4.37Å; F643-L690 HydrophobicContact CZ-CD2 4.23Å; F686-L690 HydrophobicContact CD1-CD1 4.29Å; F686-L690 HydrophobicContact CD2-CD1 4.41Å; F686-L690 HydrophobicContact CD2-CG 4.38Å; F686-L690 HydrophobicContact CE1-CD1 3.68Å; F686-L690 HydrophobicContact CE1-CG 4.4Å; F686-L690 HydrophobicContact CE2-CD1 3.95Å; F686-L690 HydrophobicContact CE2-CD2 4.24Å; F686-L690 HydrophobicContact CE2-CG 4.05Å; F686-L690 HydrophobicContact CZ-CD1 3.5Å; F686-L690 VanDerWaalsContact CZ-CD1 3.45Å; F686-L690 HydrophobicContact CZ-CD2 4.41Å; F686-L690 HydrophobicContact CZ-CG 4.12Å; F686-L690 WeakPolarHBondContact O-CG 3.23Å; F686-L690 PolarHBondContact O-N 3.3Å; I687-L690 PolarHBondContact O-N 3.15Å; L690-S692 PolarHBondContact O-N 3.24Å; L690-I693 HydrophobicContact CD2-CD1 4.33Å; L690-I693 PolarHBondContact O-N 3.35Å; L690-C701 PolarHBondContact O-SG 3.11Å; L690-C701 VanDerWaalsContact O-SG 3.32Å; L690-V703 HydrophobicContact CD2-CB 4.39Å; L690-V703 HydrophobicContact CD2-CG1 4.04Å; L690-L704 HydrophobicContact CD1-CD1 4.13Å; L690-L707 HydrophobicContact CD1-CD2 4.05Å |
| 691 | I | 77.4 | Confident | 70.4 | Confident | 38.3333 Ų | 38.3333 | 44.6 Ų | 44.6 | 20% | 0.197 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.4 | -34.1 | 174.3 | -68.7 | 166.4 | 0 | 0 | 0 | 110.7 | I687 E688 L689 I693 H694 L704 L722 L771 | I687-I691 HydrophobicContact CG2-CD1 3.68Å; I687-I691 HydrophobicContact CG2-CG1 4.35Å; I687-I691 WeakPolarHBondContact O-CD1 3.42Å; I687-I691 VanDerWaalsContact O-CG1 3.27Å; I687-I691 WeakPolarHBondContact O-CG1 3.42Å; I687-I691 PolarHBondContact O-N 3.02Å; E688-I691 PolarHBondContact O-N 3.22Å; L689-I691 VanDerWaalsContact C-N 3.27Å; L689-I691 PolarHBondContact O-N 3.14Å; I691-I693 PolarHBondContact O-N 3.13Å; I691-H694 PolarHBondContact O-CE1 3.4Å; I691-H694 VanDerWaalsContact O-CE1 3.27Å; I691-H694 PolarHBondContact O-NE2 3.33Å; I691-L704 HydrophobicContact CD1-CD2 4.21Å; I691-L704 HydrophobicContact CG1-CD2 4.15Å; I691-L722 HydrophobicContact CD1-CD1 3.67Å; I691-L722 HydrophobicContact CD1-CD2 3.89Å; I691-L722 HydrophobicContact CD1-CG 4.33Å; I691-L722 HydrophobicContact CG1-CD1 4.4Å; I691-L722 HydrophobicContact CG1-CD2 3.96Å; I691-L771 HydrophobicContact CD1-CD1 4.15Å |
| 692 | S | 76.5 | Confident | 71.1 | Confident | 24.6667 Ų | 24.6667 | 44.5 Ų | 44.5 | 17% | 0.172 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13 | 179.1 | 81.9 | 0 | 0 | 0 | 0 | 114.4 | Q616 E688 L689 L690 H694 | Q616-S692 WeakPolarHBondContact CG-OG 3.42Å; Q616-S692 PolarHBondContact NE2-O 2.97Å; Q616-S692 VanDerWaalsContact NE2-O 3.17Å; E688-S692 WeakPolarHBondContact O-CB 3.47Å; E688-S692 PolarHBondContact O-N 2.9Å; E688-S692 VanDerWaalsContact O-N 3.08Å; L689-S692 WeakPolarHBondContact CA-OG 3.47Å; L689-S692 WeakPolarHBondContact O-CB 3.38Å; L689-S692 PolarHBondContact O-N 3.16Å; L689-S692 VanDerWaalsContact O-N 3.09Å; L689-S692 PolarHBondContact O-OG 3.04Å; L690-S692 PolarHBondContact O-N 3.24Å; S692-H694 PolarHBondContact O-CE1 3.17Å; S692-H694 PolarHBondContact O-ND1 3.35Å |
| 693 | I | 78.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -92.6 | 117.9 | 178 | -58.9 | 165.9 | 0 | 0 | 0 | 109.5 | L619 Q620 W623 F643 L689 L690 I691 V703 | L619-I693 HydrophobicContact CB-CD1 3.64Å; L619-I693 HydrophobicContact CB-CG1 4.33Å; L619-I693 HydrophobicContact CD1-CD1 4.34Å; Q620-I693 VanDerWaalsContact OE1-CA 3.24Å; W623-I693 HydrophobicContact CB-CG2 3.84Å; W623-I693 HydrophobicContact CG-CG2 4.03Å; F643-I693 HydrophobicContact CE1-CD1 4.25Å; F643-I693 HydrophobicContact CZ-CD1 3.75Å; L689-I693 HydrophobicContact CD2-CD1 4.06Å; L689-I693 WeakPolarHBondContact O-CG1 3.12Å; L689-I693 PolarHBondContact O-N 3.02Å; L690-I693 HydrophobicContact CD2-CD1 4.33Å; L690-I693 PolarHBondContact O-N 3.35Å; I691-I693 PolarHBondContact O-N 3.13Å; I693-V703 HydrophobicContact CB-CG2 4.14Å; I693-V703 HydrophobicContact CG2-CG2 3.7Å; I693-V703 VanDerWaalsContact CG2-CG2 3.43Å; I693-V703 PolarHBondContact O-N 3.47Å | ||
| 694 | H | 76.7 | Confident | 71.8 | Confident | 56.6667 Ų | 56.6667 | 42.1 Ų | 42.1 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | trans | -124.8 | 147.2 | -174.4 | -32.4 | 83.5 | 0 | 0 | 0 | 111.4 | Q620 N624 I691 S692 H699 T702 | Q620-H694 PolarHBondContact NE2-CD2 3.28Å; Q620-H694 PolarHBondContact NE2-CE1 3.49Å; Q620-H694 PolarHBondContact NE2-NE2 2.94Å; Q620-H694 PolarHBondContact NE2-O 2.98Å; Q620-H694 PolarHBondContact OE1-O 3.29Å; Q620-H694 VanDerWaalsContact OE1-O 3.1Å; N624-H694 PolarHBondContact ND2-O 3.1Å; N624-H694 PolarHBondContact OD1-O 3Å; I691-H694 PolarHBondContact O-CE1 3.4Å; I691-H694 VanDerWaalsContact O-CE1 3.27Å; I691-H694 PolarHBondContact O-NE2 3.33Å; S692-H694 PolarHBondContact O-CE1 3.17Å; S692-H694 PolarHBondContact O-ND1 3.35Å; H694-H699 PolarHBondContact CD2-O 3.32Å; H694-H699 VanDerWaalsContact CD2-O 3.27Å; H694-T702 HydrophobicContact CB-CG2 4Å | ||
| 695 | D | 71.6 | Confident | 72.1 | Confident | 19.6667 Ų | 19.6667 | 40.6 Ų | 40.6 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | trans | -72.1 | 138.9 | 169.1 | -167 | 9.8 | 0 | 0 | 0 | 110.3 | N624 R640 N697 T698 H699 E700 C701 T702 | N624-D695 WeakPolarHBondContact OD1-CA 3.48Å; N624-D695 PolarHBondContact OD1-OD1 3.37Å; R640-D695 IonicContact CZ-OD2 3.05Å; R640-D695 IonicContact NH1-OD2 3.34Å; R640-D695 IonicContact NH2-OD1 3.85Å; R640-D695 PolarHBondContact NH2-OD1 3.4Å; R640-D695 IonicContact NH2-OD2 2.67Å; R640-D695 PolarHBondContact NH2-OD2 2.82Å; D695-N697 PolarHBondContact O-N 2.97Å; D695-N697 WeakPolarHBondContact OD1-CA 3.5Å; D695-N697 WeakPolarHBondContact OD1-CB 3.39Å; D695-N697 PolarHBondContact OD1-N 3.48Å; D695-T698 PolarHBondContact OD1-N 3.29Å; D695-H699 VanDerWaalsContact O-CA 3.29Å; D695-H699 WeakPolarHBondContact O-CA 3.41Å; D695-H699 PolarHBondContact O-N 3.23Å; D695-E700 PolarHBondContact N-O 3.12Å; D695-C701 HydrophobicContact CB-CB 4.34Å; D695-C701 PolarHBondContact N-O 3.14Å; D695-T702 HydrophobicContact CB-CG2 4.02Å | ||
| 696 | S | 66 | Low | 72 | Confident | 65.6667 Ų | 65.6667 | 38.4 Ų | 38.4 | 46% | 0.459 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.4 | -178.5 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | N624 | N624-S696 PolarHBondContact OD1-N 3.12Š|
| 697 | N | 61.7 | Low | 71.8 | Confident | 136 Ų | 136 | 38.5 Ų | 38.5 | 73% | 0.727 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -33.1 | -173.6 | -62.7 | -19.9 | 0 | 0 | 0 | 112.4 | D695 | D695-N697 PolarHBondContact O-N 2.97Å; D695-N697 WeakPolarHBondContact OD1-CA 3.5Å; D695-N697 WeakPolarHBondContact OD1-CB 3.39Å; D695-N697 PolarHBondContact OD1-N 3.48Å |
| 698 | T | 59 | Low | 71.7 | Confident | 59.6667 Ų | 59.6667 | 38.4 Ų | 38.4 | 37% | 0.366 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 14.3 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | D695 E700 C701 | D695-T698 PolarHBondContact OD1-N 3.29Å; T698-E700 PolarHBondContact O-N 3.27Å; T698-E700 VanDerWaalsContact O-N 3.13Å; T698-E700 PolarHBondContact OG1-N 3.4Å; T698-C701 PolarHBondContact O-N 2.87Å; T698-C701 WeakPolarHBondContact OG1-CB 3.38Å |
| 699 | H | 54.4 | Low | 71.5 | Confident | 148 Ų | 148 | 33.3 Ų | 33.3 | 69% | 0.685 | 18% | 0.18 | S | C | * | . | trans | 23.4 | 15.1 | -169.3 | -77.8 | -72.8 | 0 | 0 | 0 | 114.2 | H694 D695 N726 | H694-H699 PolarHBondContact CD2-O 3.32Å; H694-H699 VanDerWaalsContact CD2-O 3.27Å; D695-H699 VanDerWaalsContact O-CA 3.29Å; D695-H699 WeakPolarHBondContact O-CA 3.41Å; D695-H699 PolarHBondContact O-N 3.23Å; H699-N726 PolarHBondContact O-ND2 3.03Å; H699-N726 VanDerWaalsContact O-ND2 3.16Å | ||
| 700 | E | 61.7 | Low | 71 | Confident | 69.6667 Ų | 69.6667 | 33.5 Ų | 33.5 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -114.3 | 128 | -176.9 | -64 | -176.1 | 166.4 | 0 | 0 | 111.7 | D695 T698 T702 C713 H723 | D695-E700 PolarHBondContact N-O 3.12Å; T698-E700 PolarHBondContact O-N 3.27Å; T698-E700 VanDerWaalsContact O-N 3.13Å; T698-E700 PolarHBondContact OG1-N 3.4Å; E700-T702 PolarHBondContact O-N 3.17Å; E700-C713 HydrophobicContact CB-CB 4.15Å; E700-C713 PolarHBondContact OE2-SG 3.33Å; E700-H723 IonicContact OE1-CE1 3.27Å; E700-H723 IonicContact OE1-ND1 2.97Å; E700-H723 PolarHBondContact OE1-ND1 3.45Å; E700-H723 IonicContact OE1-NE2 2.69Å; E700-H723 IonicContact OE2-CE1 3.86Å |
| 701 | C | 62.9 | Low | 70.2 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 10% | 0.101 | 19% | 0.19 | C | C | . | . | trans | -80.7 | 106.6 | 175.6 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | L690 D695 T698 P705 L722 | L690-C701 PolarHBondContact O-SG 3.11Å; L690-C701 VanDerWaalsContact O-SG 3.32Å; D695-C701 HydrophobicContact CB-CB 4.34Å; D695-C701 PolarHBondContact N-O 3.14Å; T698-C701 PolarHBondContact O-N 2.87Å; T698-C701 WeakPolarHBondContact OG1-CB 3.38Å; C701-P705 WeakPolarHBondContact O-CD 3.38Å; C701-P705 WeakPolarHBondContact O-CG 3.27Å; C701-L722 HydrophobicContact CB-CD1 4.31Å | ||
| 702 | T | 67.4 | Low | 69.4 | Low | 23.6667 Ų | 23.6667 | 37 Ų | 37 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | trans | -99.2 | -26.5 | 178.6 | 47 | 0 | 0 | 0 | 0 | 112.2 | W623 H694 D695 E700 L704 P705 I706 | W623-T702 WeakPolarHBondContact CZ2-OG1 3.35Å; W623-T702 PolarHBondContact NE1-OG1 3.28Å; W623-T702 VanDerWaalsContact NE1-OG1 3.15Å; H694-T702 HydrophobicContact CB-CG2 4Å; D695-T702 HydrophobicContact CB-CG2 4.02Å; E700-T702 PolarHBondContact O-N 3.17Å; T702-L704 VanDerWaalsContact C-N 3.28Å; T702-L704 PolarHBondContact O-N 3.09Å; T702-P705 VanDerWaalsContact O-CD 3.24Å; T702-P705 WeakPolarHBondContact O-CD 3.2Å; T702-P705 VanDerWaalsContact O-CG 3.28Å; T702-P705 WeakPolarHBondContact O-CG 3.38Å; T702-P705 WeakPolarHBondContact OG1-CD 3.21Å; T702-P705 WeakPolarHBondContact OG1-CG 3.44Å; T702-I706 VanDerWaalsContact O-CD1 3.31Å; T702-I706 WeakPolarHBondContact O-CD1 3.38Å; T702-I706 WeakPolarHBondContact O-CG1 3.4Å; T702-I706 PolarHBondContact O-N 3.16Å; T702-I706 VanDerWaalsContact O-N 3.12Å | ||
| 703 | V | 76.1 | Confident | 68.7 | Low | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | -176 | -177.3 | 0 | 0 | 0 | 0 | 112 | W623 F643 L690 I693 I706 L707 | W623-V703 HydrophobicContact CD2-CG2 3.78Å; W623-V703 HydrophobicContact CE3-CG2 3.88Å; W623-V703 HydrophobicContact CG-CG2 4.3Å; W623-V703 HydrophobicContact CH2-CG2 4.06Å; W623-V703 HydrophobicContact CZ2-CG2 4.03Å; W623-V703 HydrophobicContact CZ3-CG2 4.12Å; F643-V703 HydrophobicContact CE1-CG1 3.93Å; F643-V703 HydrophobicContact CE1-CG2 4.18Å; L690-V703 HydrophobicContact CD2-CB 4.39Å; L690-V703 HydrophobicContact CD2-CG1 4.04Å; I693-V703 HydrophobicContact CB-CG2 4.14Å; I693-V703 HydrophobicContact CG2-CG2 3.7Å; I693-V703 VanDerWaalsContact CG2-CG2 3.43Å; I693-V703 PolarHBondContact O-N 3.47Å; V703-I706 WeakPolarHBondContact O-CB 3.11Å; V703-I706 PolarHBondContact O-N 3.12Å; V703-L707 HydrophobicContact CG1-CD1 4.11Å; V703-L707 WeakPolarHBondContact O-CB 3.17Å; V703-L707 PolarHBondContact O-N 3.11Å |
| 704 | L | 76.5 | Confident | 68.2 | Low | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | -176.4 | -167.2 | 69.8 | 0 | 0 | 0 | 113.3 | I687 L690 I691 T702 I706 L707 L708 V718 L722 L767 L771 | I687-L704 HydrophobicContact CD1-CD1 3.99Å; I687-L704 HydrophobicContact CD1-CD2 4.28Å; L690-L704 HydrophobicContact CD1-CD1 4.13Å; I691-L704 HydrophobicContact CD1-CD2 4.21Å; I691-L704 HydrophobicContact CG1-CD2 4.15Å; T702-L704 VanDerWaalsContact C-N 3.28Å; T702-L704 PolarHBondContact O-N 3.09Å; L704-I706 VanDerWaalsContact C-N 3.27Å; L704-I706 PolarHBondContact O-N 3.19Å; L704-L707 WeakPolarHBondContact O-CB 3.36Å; L704-L707 PolarHBondContact O-N 2.96Å; L704-L708 HydrophobicContact CD1-CD1 4.13Å; L704-L708 HydrophobicContact CD1-CG 4.45Å; L704-L708 HydrophobicContact CD2-CD1 4.48Å; L704-L708 HydrophobicContact CG-CD1 4.02Å; L704-L708 WeakPolarHBondContact O-CB 3.34Å; L704-L708 VanDerWaalsContact O-CG 3.3Å; L704-L708 WeakPolarHBondContact O-CG 3.36Å; L704-L708 PolarHBondContact O-N 3.41Å; L704-V718 HydrophobicContact CB-CG1 4.44Å; L704-V718 HydrophobicContact CD2-CG1 4.14Å; L704-V718 HydrophobicContact CG-CG1 4.2Å; L704-L722 HydrophobicContact CB-CD1 4.49Å; L704-L722 HydrophobicContact CD2-CD1 4.37Å; L704-L767 HydrophobicContact CD1-CD2 4.14Å; L704-L771 HydrophobicContact CD1-CD1 4.05Å; L704-L771 HydrophobicContact CD1-CD2 4.04Å; L704-L771 HydrophobicContact CD2-CD1 3.61Å; L704-L771 HydrophobicContact CD2-CD2 3.6Å; L704-L771 HydrophobicContact CD2-CG 4.15Å |
| 705 | P | 75.4 | Confident | 67.9 | Low | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58 | -33.4 | 171.1 | -14.2 | 16.1 | 0 | 0 | 0 | 114.3 | C701 T702 L708 G709 T710 L714 S715 V718 T719 L722 | C701-P705 WeakPolarHBondContact O-CD 3.38Å; C701-P705 WeakPolarHBondContact O-CG 3.27Å; T702-P705 VanDerWaalsContact O-CD 3.24Å; T702-P705 WeakPolarHBondContact O-CD 3.2Å; T702-P705 VanDerWaalsContact O-CG 3.28Å; T702-P705 WeakPolarHBondContact O-CG 3.38Å; T702-P705 WeakPolarHBondContact OG1-CD 3.21Å; T702-P705 WeakPolarHBondContact OG1-CG 3.44Å; P705-L708 CarbonylContact O-C 3.56Å; P705-L708 WeakPolarHBondContact O-CA 3.48Å; P705-L708 PolarHBondContact O-N 2.89Å; P705-L708 VanDerWaalsContact O-N 3.13Å; P705-G709 WeakPolarHBondContact O-CA 3.43Å; P705-G709 PolarHBondContact O-N 3.18Å; P705-G709 VanDerWaalsContact O-N 3.12Å; P705-T710 WeakPolarHBondContact CB-OG1 3.43Å; P705-T710 PolarHBondContact O-N 3.18Å; P705-T710 PolarHBondContact O-OG1 3.03Å; P705-L714 HydrophobicContact CB-CB 4.5Å; P705-L714 HydrophobicContact CB-CD2 4.11Å; P705-L714 HydrophobicContact CG-CD1 4.12Å; P705-S715 PolarHBondContact O-N 3.49Å; P705-V718 HydrophobicContact CG-CG1 4.03Å; P705-T719 WeakPolarHBondContact CG-OG1 3.47Å; P705-L722 HydrophobicContact CG-CD1 4.31Å |
| 706 | I | 75.1 | Confident | 67.9 | Low | 22 Ų | 22 | 42.4 Ų | 42.4 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.5 | -47.7 | 174.9 | -64.4 | 165.1 | 0 | 0 | 0 | 110.4 | W623 I644 T702 V703 L704 L708 G709 L714 L753 | W623-I706 HydrophobicContact CH2-CD1 3.6Å; W623-I706 HydrophobicContact CZ2-CD1 3.54Å; I644-I706 HydrophobicContact CD1-CG2 3.98Å; T702-I706 VanDerWaalsContact O-CD1 3.31Å; T702-I706 WeakPolarHBondContact O-CD1 3.38Å; T702-I706 WeakPolarHBondContact O-CG1 3.4Å; T702-I706 PolarHBondContact O-N 3.16Å; T702-I706 VanDerWaalsContact O-N 3.12Å; V703-I706 WeakPolarHBondContact O-CB 3.11Å; V703-I706 PolarHBondContact O-N 3.12Å; L704-I706 VanDerWaalsContact C-N 3.27Å; L704-I706 PolarHBondContact O-N 3.19Å; I706-L708 VanDerWaalsContact C-N 3.31Å; I706-L708 PolarHBondContact O-N 3.19Å; I706-G709 PolarHBondContact O-N 3.33Å; I706-L714 HydrophobicContact CB-CD2 4.15Å; I706-L714 HydrophobicContact CD1-CD2 4.14Å; I706-L714 HydrophobicContact CG1-CD2 3.14Å; I706-L714 HydrophobicContact CG1-CG 4.45Å; I706-L753 HydrophobicContact CD1-CD2 3.56Å; I706-L753 HydrophobicContact CG1-CD2 3.82Å; I706-L753 HydrophobicContact CG2-CD1 4.03Å; I706-L753 HydrophobicContact CG2-CD2 4.16Å |
| 707 | L | 75.7 | Confident | 68.1 | Low | 2.66667 Ų | 2.66667 | 39.4 Ų | 39.4 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -35.1 | -179.7 | -151.5 | 68.5 | 0 | 0 | 0 | 112.6 | I644 C647 I648 L690 V703 L704 G709 L759 L767 | I644-L707 HydrophobicContact CB-CD1 4.38Å; I644-L707 HydrophobicContact CG1-CD1 4Å; I644-L707 HydrophobicContact CG2-CD1 4.13Å; C647-L707 HydrophobicContact CB-CD1 4.43Å; C647-L707 HydrophobicContact CB-CD2 4.32Å; I648-L707 HydrophobicContact CG1-CD1 4.08Å; L690-L707 HydrophobicContact CD1-CD2 4.05Å; V703-L707 HydrophobicContact CG1-CD1 4.11Å; V703-L707 WeakPolarHBondContact O-CB 3.17Å; V703-L707 PolarHBondContact O-N 3.11Å; L704-L707 WeakPolarHBondContact O-CB 3.36Å; L704-L707 PolarHBondContact O-N 2.96Å; L707-G709 VanDerWaalsContact C-N 3.25Å; L707-G709 PolarHBondContact O-N 2.95Å; L707-L759 HydrophobicContact CD1-CD1 3.65Å; L707-L759 VanDerWaalsContact CD1-CD1 3.44Å; L707-L759 HydrophobicContact CG-CD1 4.07Å; L707-L759 HydrophobicContact CG-CD2 4.41Å; L707-L767 HydrophobicContact CB-CD2 3.91Å; L707-L767 HydrophobicContact CD2-CD2 3.66Å; L707-L767 HydrophobicContact CG-CD2 4.1Å; L707-L767 WeakPolarHBondContact O-CD2 3.37Å |
| 708 | L | 74.9 | Confident | 68.6 | Low | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 8 | 177.9 | -64 | 175.6 | 0 | 0 | 0 | 113.5 | L704 P705 I706 T710 V718 A764 L767 T768 L771 W821 H825 | L704-L708 HydrophobicContact CD1-CD1 4.13Å; L704-L708 HydrophobicContact CD1-CG 4.45Å; L704-L708 HydrophobicContact CD2-CD1 4.48Å; L704-L708 HydrophobicContact CG-CD1 4.02Å; L704-L708 WeakPolarHBondContact O-CB 3.34Å; L704-L708 VanDerWaalsContact O-CG 3.3Å; L704-L708 WeakPolarHBondContact O-CG 3.36Å; L704-L708 PolarHBondContact O-N 3.41Å; P705-L708 CarbonylContact O-C 3.56Å; P705-L708 WeakPolarHBondContact O-CA 3.48Å; P705-L708 PolarHBondContact O-N 2.89Å; P705-L708 VanDerWaalsContact O-N 3.13Å; I706-L708 VanDerWaalsContact C-N 3.31Å; I706-L708 PolarHBondContact O-N 3.19Å; L708-T710 VanDerWaalsContact C-N 3.28Å; L708-T710 PolarHBondContact O-N 3.12Å; L708-V718 HydrophobicContact CB-CG2 4.04Å; L708-V718 HydrophobicContact CD1-CG1 4.38Å; L708-V718 HydrophobicContact CD1-CG2 3.89Å; L708-A764 HydrophobicContact CD2-CB 4.47Å; L708-L767 HydrophobicContact CD1-CD2 4.4Å; L708-L767 HydrophobicContact CD2-CB 4.17Å; L708-L767 HydrophobicContact CD2-CD2 3.89Å; L708-L767 HydrophobicContact CD2-CG 4.33Å; L708-L767 HydrophobicContact CG-CD2 4.21Å; L708-T768 HydrophobicContact CD2-CG2 4.31Å; L708-T768 VanDerWaalsContact CD2-OG1 3.24Å; L708-T768 WeakPolarHBondContact CD2-OG1 3.46Å; L708-L771 HydrophobicContact CD1-CD2 4.11Å; L708-L771 HydrophobicContact CD2-CB 4.48Å; L708-L771 HydrophobicContact CD2-CD2 4Å; L708-L771 HydrophobicContact CG-CD2 4.45Å; L708-W821 WeakPolarHBondContact O-CZ2 3.25Å; L708-W821 PolarHBondContact O-NE1 3.02Å; L708-H825 PolarHBondContact O-NE2 3.07Å; L708-H825 VanDerWaalsContact O-NE2 3.1Å |
| 709 | G | 73.2 | Confident | 69.2 | Low | 2.33333 Ų | 2.33333 | 32 Ų | 32 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -52.3 | -166.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P705 I706 L707 L758 H825 | P705-G709 WeakPolarHBondContact O-CA 3.43Å; P705-G709 PolarHBondContact O-N 3.18Å; P705-G709 VanDerWaalsContact O-N 3.12Å; I706-G709 PolarHBondContact O-N 3.33Å; L707-G709 VanDerWaalsContact C-N 3.25Å; L707-G709 PolarHBondContact O-N 2.95Å; G709-L758 WeakPolarHBondContact O-CD2 3.38Å; G709-H825 VanDerWaalsContact C-CE1 3.44Å; G709-H825 PolarHBondContact O-CE1 3.18Å |
| 710 | T | 68.7 | Low | 69.9 | Low | 15.6667 Ų | 15.6667 | 29.2 Ų | 29.2 | 10% | 0.096 | 16% | 0.161 | C | C | . | . | trans | -102.9 | 161 | 175.9 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | P705 L708 E712 C713 D828 | P705-T710 WeakPolarHBondContact CB-OG1 3.43Å; P705-T710 PolarHBondContact O-N 3.18Å; P705-T710 PolarHBondContact O-OG1 3.03Å; L708-T710 VanDerWaalsContact C-N 3.28Å; L708-T710 PolarHBondContact O-N 3.12Å; T710-E712 PolarHBondContact O-N 3.24Å; T710-E712 PolarHBondContact OG1-N 3.33Å; T710-C713 PolarHBondContact N-O 3.1Å; T710-C713 PolarHBondContact OG1-N 3.1Å; T710-C713 PolarHBondContact OG1-O 3.39Å; T710-D828 WeakPolarHBondContact CB-OD1 3.49Å; T710-D828 HydrophobicContact CG2-CB 4.22Å | ||
| 711 | T | 63.9 | Low | 70.1 | Confident | 27.6667 Ų | 27.6667 | 27.3 Ų | 27.3 | 17% | 0.17 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -71.9 | -25.5 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | H752 I755 L758 D828 T831 | T711-H752 PolarHBondContact O-ND1 3.19Å; T711-I755 HydrophobicContact CG2-CG1 4.02Å; T711-L758 HydrophobicContact CG2-CD1 3.83Å; T711-L758 HydrophobicContact CG2-CD2 4.24Å; T711-L758 HydrophobicContact CG2-CG 4.46Å; T711-D828 WeakPolarHBondContact CG2-OD2 3.47Å; T711-D828 PolarHBondContact N-OD1 3.11Å; T711-D828 VanDerWaalsContact N-OD1 3.15Å; T711-D828 PolarHBondContact N-OD2 3.41Å; T711-D828 VanDerWaalsContact N-OD2 3.09Å; T711-D828 VanDerWaalsContact OG1-CG 3.3Å; T711-D828 PolarHBondContact OG1-OD1 3.05Å; T711-D828 PolarHBondContact OG1-OD2 3.24Å; T711-T831 HydrophobicContact CG2-CG2 4.01Å |
| 712 | E | 61 | Low | 70.3 | Confident | 83.6667 Ų | 83.6667 | 27.3 Ų | 27.3 | 39% | 0.391 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -91.4 | -66.4 | 179.4 | -62.4 | -172.8 | 168.9 | 0 | 0 | 111.8 | T710 H752 D828 K829 | T710-E712 PolarHBondContact O-N 3.24Å; T710-E712 PolarHBondContact OG1-N 3.33Å; E712-H752 PolarHBondContact O-ND1 3.48Å; E712-D828 PolarHBondContact N-OD1 3.11Å; E712-K829 WeakPolarHBondContact OE1-CD 3.45Å; E712-K829 VanDerWaalsContact OE1-CG 3.23Å; E712-K829 WeakPolarHBondContact OE1-CG 3.34Å; E712-K829 IonicContact OE1-NZ 3.6Å; E712-K829 PolarHBondContact OE1-NZ 3.45Å; E712-K829 IonicContact OE2-NZ 2.6Å; E712-K829 PolarHBondContact OE2-NZ 2.9Å |
| 713 | C | 61.5 | Low | 69.9 | Low | 71.3333 Ų | 71.3333 | 31.3 Ų | 31.3 | 48% | 0.482 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -120.4 | 155.4 | -169.3 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | E700 T710 S715 | E700-C713 HydrophobicContact CB-CB 4.15Å; E700-C713 PolarHBondContact OE2-SG 3.33Å; T710-C713 PolarHBondContact N-O 3.1Å; T710-C713 PolarHBondContact OG1-N 3.1Å; T710-C713 PolarHBondContact OG1-O 3.39Å; C713-S715 PolarHBondContact O-N 3.28Å |
| 714 | L | 69 | Low | 68.7 | Low | 46 Ų | 46 | 35.1 Ų | 35.1 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | trans | -48.7 | 132.2 | 169.4 | -95.9 | 126.7 | 0 | 0 | 0 | 111.6 | P705 I706 I716 V718 T719 L722 T750 | P705-L714 HydrophobicContact CB-CB 4.5Å; P705-L714 HydrophobicContact CB-CD2 4.11Å; P705-L714 HydrophobicContact CG-CD1 4.12Å; I706-L714 HydrophobicContact CB-CD2 4.15Å; I706-L714 HydrophobicContact CD1-CD2 4.14Å; I706-L714 HydrophobicContact CG1-CD2 3.14Å; I706-L714 HydrophobicContact CG1-CG 4.45Å; L714-I716 PolarHBondContact O-N 3.09Å; L714-I716 VanDerWaalsContact O-N 3.09Å; L714-V718 HydrophobicContact CD1-CB 4.3Å; L714-V718 HydrophobicContact CD1-CG1 3.81Å; L714-V718 HydrophobicContact CG-CG1 4.45Å; L714-T719 WeakPolarHBondContact CD2-OG1 3.45Å; L714-T719 PolarHBondContact O-OG1 2.93Å; L714-L722 HydrophobicContact CD2-CD1 4.45Å; L714-T750 HydrophobicContact CD1-CG2 4.09Å; L714-T750 VanDerWaalsContact CD1-OG1 3.26Å; L714-T750 WeakPolarHBondContact CD1-OG1 3.48Å | ||
| 715 | S | 71.2 | Confident | 67.4 | Low | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | trans | -58.3 | 116.5 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | P705 C713 A717 V718 T719 E824 | P705-S715 PolarHBondContact O-N 3.49Å; C713-S715 PolarHBondContact O-N 3.28Å; S715-A717 VanDerWaalsContact C-N 3.28Å; S715-A717 PolarHBondContact O-N 2.98Å; S715-A717 WeakPolarHBondContact OG-CB 3.33Å; S715-A717 PolarHBondContact OG-N 2.92Å; S715-V718 CarbonylContact O-C 3.57Å; S715-V718 WeakPolarHBondContact O-CA 3.29Å; S715-V718 WeakPolarHBondContact O-CB 3.35Å; S715-V718 PolarHBondContact O-N 3.05Å; S715-V718 WeakPolarHBondContact OG-CG2 3.24Å; S715-V718 PolarHBondContact OG-N 3.27Å; S715-T719 PolarHBondContact O-N 3.26Å; S715-T719 VanDerWaalsContact O-N 3.11Å; S715-T719 PolarHBondContact O-OG1 3.36Å; S715-T719 VanDerWaalsContact O-OG1 3.11Å; S715-E824 VanDerWaalsContact CA-OE2 3.29Å; S715-E824 WeakPolarHBondContact CA-OE2 3.23Å; S715-E824 WeakPolarHBondContact CB-OE2 3.32Å; S715-E824 PolarHBondContact OG-OE2 3.15Å | ||
| 716 | I | 71.3 | Confident | 65.7 | Low | 96 Ų | 96 | 39.8 Ų | 39.8 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -34.6 | 177.8 | -57.2 | 169.5 | 0 | 0 | 0 | 109.3 | L714 V718 T719 N720 Q820 E824 | L714-I716 PolarHBondContact O-N 3.09Å; L714-I716 VanDerWaalsContact O-N 3.09Å; I716-V718 VanDerWaalsContact C-N 3.34Å; I716-V718 PolarHBondContact O-N 3.4Å; I716-T719 PolarHBondContact O-N 3.04Å; I716-N720 VanDerWaalsContact O-CB 3.27Å; I716-N720 WeakPolarHBondContact O-CB 3.33Å; I716-N720 VanDerWaalsContact O-CG 3.23Å; I716-N720 PolarHBondContact O-N 2.98Å; I716-N720 PolarHBondContact O-ND2 3.16Å; I716-N720 VanDerWaalsContact O-ND2 3.08Å; I716-Q820 VanDerWaalsContact CB-NE2 3.29Å; I716-E824 WeakPolarHBondContact CB-OE1 3.49Å; I716-E824 PolarHBondContact N-OE1 3.11Å; I716-E824 PolarHBondContact N-OE2 3.2Å |
| 717 | A | 69.6 | Low | 63.8 | Low | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | S715 N720 L721 F817 Q820 W821 E824 | S715-A717 VanDerWaalsContact C-N 3.28Å; S715-A717 PolarHBondContact O-N 2.98Å; S715-A717 WeakPolarHBondContact OG-CB 3.33Å; S715-A717 PolarHBondContact OG-N 2.92Å; A717-N720 PolarHBondContact O-N 3.01Å; A717-L721 WeakPolarHBondContact O-CB 3.42Å; A717-L721 PolarHBondContact O-N 3.35Å; A717-L721 VanDerWaalsContact O-N 3.15Å; A717-F817 VanDerWaalsContact C-CE2 3.43Å; A717-F817 HydrophobicContact CB-CD2 3.86Å; A717-F817 HydrophobicContact CB-CE2 3.82Å; A717-F817 HydrophobicContact CB-CG 4.16Å; A717-F817 HydrophobicContact CB-CZ 4.3Å; A717-F817 WeakPolarHBondContact O-CD2 3.2Å; A717-F817 VanDerWaalsContact O-CE2 3.28Å; A717-F817 WeakPolarHBondContact O-CE2 3.36Å; A717-Q820 HydrophobicContact CB-CB 4.03Å; A717-Q820 HydrophobicContact CB-CG 3.96Å; A717-W821 HydrophobicContact CB-CB 4.04Å; A717-E824 WeakPolarHBondContact CB-OE1 3.32Å; A717-E824 PolarHBondContact N-OE1 3.2Å |
| 718 | V | 72.9 | Confident | 61.7 | Low | 0.333333 Ų | 0.333333 | 48.4 Ų | 48.4 | 0% | 0.002 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 179.3 | 178 | 0 | 0 | 0 | 0 | 110.9 | L704 P705 L708 L714 S715 I716 N720 L721 L722 L771 F817 | L704-V718 HydrophobicContact CB-CG1 4.44Å; L704-V718 HydrophobicContact CD2-CG1 4.14Å; L704-V718 HydrophobicContact CG-CG1 4.2Å; P705-V718 HydrophobicContact CG-CG1 4.03Å; L708-V718 HydrophobicContact CB-CG2 4.04Å; L708-V718 HydrophobicContact CD1-CG1 4.38Å; L708-V718 HydrophobicContact CD1-CG2 3.89Å; L714-V718 HydrophobicContact CD1-CB 4.3Å; L714-V718 HydrophobicContact CD1-CG1 3.81Å; L714-V718 HydrophobicContact CG-CG1 4.45Å; S715-V718 CarbonylContact O-C 3.57Å; S715-V718 WeakPolarHBondContact O-CA 3.29Å; S715-V718 WeakPolarHBondContact O-CB 3.35Å; S715-V718 PolarHBondContact O-N 3.05Å; S715-V718 WeakPolarHBondContact OG-CG2 3.24Å; S715-V718 PolarHBondContact OG-N 3.27Å; I716-V718 VanDerWaalsContact C-N 3.34Å; I716-V718 PolarHBondContact O-N 3.4Å; V718-N720 VanDerWaalsContact C-N 3.27Å; V718-N720 PolarHBondContact O-N 3.24Å; V718-L721 CarbonylContact O-C 3.56Å; V718-L721 WeakPolarHBondContact O-CB 3.3Å; V718-L721 PolarHBondContact O-N 2.78Å; V718-L721 VanDerWaalsContact O-N 3.15Å; V718-L722 HydrophobicContact CG1-CD1 3.87Å; V718-L722 HydrophobicContact CG1-CG 4.33Å; V718-L722 WeakPolarHBondContact O-CG 3.36Å; V718-L722 PolarHBondContact O-N 3.11Å; V718-L722 VanDerWaalsContact O-N 3.07Å; V718-L771 HydrophobicContact CG1-CD2 4.1Å; V718-F817 HydrophobicContact CB-CE2 4.39Å; V718-F817 HydrophobicContact CG2-CE2 3.99Å; V718-F817 HydrophobicContact CG2-CZ 3.95Å |
| 719 | T | 70.6 | Confident | 59.8 | Low | 39.3333 Ų | 39.3333 | 55.4 Ų | 55.4 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | P705 L714 S715 I716 L721 L722 H723 | P705-T719 WeakPolarHBondContact CG-OG1 3.47Å; L714-T719 WeakPolarHBondContact CD2-OG1 3.45Å; L714-T719 PolarHBondContact O-OG1 2.93Å; S715-T719 PolarHBondContact O-N 3.26Å; S715-T719 VanDerWaalsContact O-N 3.11Å; S715-T719 PolarHBondContact O-OG1 3.36Å; S715-T719 VanDerWaalsContact O-OG1 3.11Å; I716-T719 PolarHBondContact O-N 3.04Å; T719-L721 VanDerWaalsContact C-N 3.29Å; T719-L721 PolarHBondContact O-N 3.34Å; T719-L722 PolarHBondContact O-N 3.36Å; T719-H723 WeakPolarHBondContact CG2-CE1 3.48Å; T719-H723 PolarHBondContact O-N 3.35Å; T719-H723 VanDerWaalsContact O-N 3.11Å; T719-H723 PolarHBondContact O-ND1 3.05Å |
| 720 | N | 69.5 | Low | 57.7 | Low | 89.6667 Ų | 89.6667 | 61.7 Ų | 61.7 | 48% | 0.48 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -31.5 | 176.1 | -73.1 | -19.9 | 0 | 0 | 0 | 113.2 | I716 A717 V718 P724 Q820 | I716-N720 VanDerWaalsContact O-CB 3.27Å; I716-N720 WeakPolarHBondContact O-CB 3.33Å; I716-N720 VanDerWaalsContact O-CG 3.23Å; I716-N720 PolarHBondContact O-N 2.98Å; I716-N720 PolarHBondContact O-ND2 3.16Å; I716-N720 VanDerWaalsContact O-ND2 3.08Å; A717-N720 PolarHBondContact O-N 3.01Å; V718-N720 VanDerWaalsContact C-N 3.27Å; V718-N720 PolarHBondContact O-N 3.24Å; N720-P724 WeakPolarHBondContact O-CD 3.28Å; N720-Q820 PolarHBondContact ND2-OE1 3.26Å |
| 721 | L | 65.5 | Low | 55.6 | Low | 31 Ų | 31 | 68.3 Ų | 68.3 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -76.1 | -30.4 | 178.7 | -164.4 | 97.7 | 0 | 0 | 0 | 112 | A717 V718 T719 P724 L771 M775 F817 | A717-L721 WeakPolarHBondContact O-CB 3.42Å; A717-L721 PolarHBondContact O-N 3.35Å; A717-L721 VanDerWaalsContact O-N 3.15Å; V718-L721 CarbonylContact O-C 3.56Å; V718-L721 WeakPolarHBondContact O-CB 3.3Å; V718-L721 PolarHBondContact O-N 2.78Å; V718-L721 VanDerWaalsContact O-N 3.15Å; T719-L721 VanDerWaalsContact C-N 3.29Å; T719-L721 PolarHBondContact O-N 3.34Å; L721-P724 VanDerWaalsContact O-CD 3.27Å; L721-P724 WeakPolarHBondContact O-CD 3.38Å; L721-L771 HydrophobicContact CD2-CD2 3.86Å; L721-L771 HydrophobicContact CD2-CG 3.97Å; L721-M775 HydrophobicContact CD2-CB 3.49Å; L721-M775 VanDerWaalsContact CD2-CB 3.49Å; L721-M775 HydrophobicContact CD2-CE 4.17Å; L721-M775 HydrophobicContact CD2-CG 4.01Å; L721-M775 HydrophobicContact CD2-SD 3.61Å; L721-M775 HydrophobicContact CG-CE 3.92Å; L721-M775 HydrophobicContact CG-CG 4.32Å; L721-M775 WeakPolarHBondContact O-CE 3.35Å; L721-F817 HydrophobicContact CB-CD2 3.99Å; L721-F817 HydrophobicContact CB-CE2 4.06Å; L721-F817 HydrophobicContact CD1-CB 4.25Å; L721-F817 HydrophobicContact CD1-CD2 3.85Å; L721-F817 HydrophobicContact CD1-CE2 4.32Å; L721-F817 HydrophobicContact CD1-CG 4.14Å; L721-F817 HydrophobicContact CD2-CD1 4.5Å; L721-F817 HydrophobicContact CD2-CD2 4.15Å; L721-F817 HydrophobicContact CD2-CE1 4.25Å; L721-F817 HydrophobicContact CD2-CE2 3.82Å; L721-F817 HydrophobicContact CD2-CG 4.4Å; L721-F817 HydrophobicContact CD2-CZ 3.97Å; L721-F817 HydrophobicContact CG-CD2 4.31Å; L721-F817 HydrophobicContact CG-CE2 4.27Å |
| 722 | L | 66.5 | Low | 53.8 | Low | 15 Ų | 15 | 74 Ų | 74 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -82.6 | -29.1 | 179.1 | -69.5 | 170.5 | 0 | 0 | 0 | 113.5 | I687 I691 C701 L704 P705 L714 V718 T719 P724 I725 L771 M775 | I687-L722 HydrophobicContact CG2-CD2 4.13Å; I691-L722 HydrophobicContact CD1-CD1 3.67Å; I691-L722 HydrophobicContact CD1-CD2 3.89Å; I691-L722 HydrophobicContact CD1-CG 4.33Å; I691-L722 HydrophobicContact CG1-CD1 4.4Å; I691-L722 HydrophobicContact CG1-CD2 3.96Å; C701-L722 HydrophobicContact CB-CD1 4.31Å; L704-L722 HydrophobicContact CB-CD1 4.49Å; L704-L722 HydrophobicContact CD2-CD1 4.37Å; P705-L722 HydrophobicContact CG-CD1 4.31Å; L714-L722 HydrophobicContact CD2-CD1 4.45Å; V718-L722 HydrophobicContact CG1-CD1 3.87Å; V718-L722 HydrophobicContact CG1-CG 4.33Å; V718-L722 WeakPolarHBondContact O-CG 3.36Å; V718-L722 PolarHBondContact O-N 3.11Å; V718-L722 VanDerWaalsContact O-N 3.07Å; T719-L722 PolarHBondContact O-N 3.36Å; L722-P724 VanDerWaalsContact C-N 3.3Å; L722-P724 WeakPolarHBondContact O-CD 3.37Å; L722-P724 VanDerWaalsContact O-N 3.12Å; L722-I725 HydrophobicContact CD2-CD1 4.08Å; L722-I725 WeakPolarHBondContact O-CB 3.38Å; L722-I725 PolarHBondContact O-N 3.39Å; L722-L771 HydrophobicContact CD2-CD1 4.48Å; L722-M775 HydrophobicContact CD2-CE 4.21Å; L722-M775 HydrophobicContact CD2-SD 4.09Å |
| 723 | H | 60.3 | Low | 52.3 | Low | 106.667 Ų | 106.667 | 76.5 Ų | 76.5 | 49% | 0.494 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -47.9 | -38.6 | 179.8 | -116.5 | 70.1 | 0 | 0 | 0 | 115.8 | E700 T719 I725 | E700-H723 IonicContact OE1-CE1 3.27Å; E700-H723 IonicContact OE1-ND1 2.97Å; E700-H723 PolarHBondContact OE1-ND1 3.45Å; E700-H723 IonicContact OE1-NE2 2.69Å; E700-H723 IonicContact OE2-CE1 3.86Å; T719-H723 WeakPolarHBondContact CG2-CE1 3.48Å; T719-H723 PolarHBondContact O-N 3.35Å; T719-H723 VanDerWaalsContact O-N 3.11Å; T719-H723 PolarHBondContact O-ND1 3.05Å; H723-I725 VanDerWaalsContact C-N 3.29Å; H723-I725 PolarHBondContact O-N 3.03Å |
| 724 | P | 51.4 | Low | 50.8 | Low | 81 Ų | 81 | 77.7 Ų | 77.7 | 53% | 0.526 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.4 | -20.2 | 177.2 | -20 | 32.8 | 0 | 0 | 0 | 114.9 | N720 L721 L722 I779 | N720-P724 WeakPolarHBondContact O-CD 3.28Å; L721-P724 VanDerWaalsContact O-CD 3.27Å; L721-P724 WeakPolarHBondContact O-CD 3.38Å; L722-P724 VanDerWaalsContact C-N 3.3Å; L722-P724 WeakPolarHBondContact O-CD 3.37Å; L722-P724 VanDerWaalsContact O-N 3.12Å; P724-I779 HydrophobicContact CB-CD1 4.39Å; P724-I779 HydrophobicContact CB-CG1 4.22Å; P724-I779 HydrophobicContact CG-CD1 4.2Å |
| 725 | I | 48.3 | Very low | 48.9 | Very low | 35 Ų | 35 | 81.9 Ų | 81.9 | 18% | 0.179 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -81.1 | -24.3 | -179.8 | -64.4 | -174.5 | 0 | 0 | 0 | 110.3 | L722 H723 I727 S728 L729 M775 V778 | L722-I725 HydrophobicContact CD2-CD1 4.08Å; L722-I725 WeakPolarHBondContact O-CB 3.38Å; L722-I725 PolarHBondContact O-N 3.39Å; H723-I725 VanDerWaalsContact C-N 3.29Å; H723-I725 PolarHBondContact O-N 3.03Å; I725-I727 PolarHBondContact O-N 3.36Å; I725-S728 PolarHBondContact O-N 3.12Å; I725-L729 HydrophobicContact CG2-CD1 3.91Å; I725-L729 HydrophobicContact CG2-CG 4.23Å; I725-L729 PolarHBondContact O-N 3.26Å; I725-M775 HydrophobicContact CD1-CE 3.33Å; I725-M775 HydrophobicContact CD1-SD 3.61Å; I725-M775 WeakPolarHBondContact CD1-SD 3.33Å; I725-M775 HydrophobicContact CG1-CE 3.9Å; I725-M775 HydrophobicContact CG1-SD 4.41Å; I725-V778 HydrophobicContact CD1-CG1 4.45Å |
| 726 | N | 39.3 | Very low | 46.9 | Very low | 65.6667 Ų | 65.6667 | 89.2 Ų | 89.2 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | 1 | -174.3 | -92.2 | -2.8 | 0 | 0 | 0 | 112.6 | H699 S728 | H699-N726 PolarHBondContact O-ND2 3.03Å; H699-N726 VanDerWaalsContact O-ND2 3.16Å; N726-S728 PolarHBondContact O-N 2.96Å; N726-S728 PolarHBondContact O-OG 3.03Å; N726-S728 VanDerWaalsContact O-OG 3.05Å |
| 727 | I | 35.2 | Very low | 44.9 | Very low | 131 Ų | 131 | 91.2 Ų | 91.2 | 67% | 0.672 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.6 | 0.7 | 170.9 | -56.8 | 174.5 | 0 | 0 | 0 | 110.6 | I725 | I725-I727 PolarHBondContact O-N 3.36Å |
| 728 | S | 32.4 | Very low | 42.9 | Very low | 75 Ų | 75 | 97.4 Ų | 97.4 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -101.3 | -21.8 | -175.5 | 148.5 | 0 | 0 | 0 | 0 | 113.7 | I725 N726 | I725-S728 PolarHBondContact O-N 3.12Å; N726-S728 PolarHBondContact O-N 2.96Å; N726-S728 PolarHBondContact O-OG 3.03Å; N726-S728 VanDerWaalsContact O-OG 3.05Å |
| 729 | L | 33.5 | Very low | 40.9 | Very low | 148 Ų | 148 | 101.9 Ų | 101.9 | 78% | 0.775 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -93.1 | -13.8 | 178 | -76 | 169.8 | 0 | 0 | 0 | 113.1 | I725 | I725-L729 HydrophobicContact CG2-CD1 3.91Å; I725-L729 HydrophobicContact CG2-CG 4.23Å; I725-L729 PolarHBondContact O-N 3.26Å |
| 730 | L | 29.5 | Very low | 39 | Very low | 134.333 Ų | 134.333 | 107.2 Ų | 107.2 | 70% | 0.703 | 59% | 0.585 | S | S | * | * | trans | -103.5 | 60.5 | 174.5 | -70.9 | 169.2 | 0 | 0 | 0 | 110.8 | D732 | L730-D732 VanDerWaalsContact C-N 3.3Å; L730-D732 PolarHBondContact O-N 3.01Å | ||
| 731 | H | 25.6 | Very low | 37 | Very low | 154.667 Ų | 154.667 | 107.7 Ų | 107.7 | 72% | 0.716 | 60% | 0.595 | S | S | * | * | trans | -79.4 | 67.3 | 173.5 | -164.6 | -46.2 | 0 | 0 | 0 | 110.9 | N733 | H731-N733 VanDerWaalsContact CE1-CG 3.43Å; H731-N733 PolarHBondContact CE1-ND2 3.33Å; H731-N733 PolarHBondContact CE1-OD1 2.9Å | ||
| 732 | D | 26.1 | Very low | 35.3 | Very low | 146.667 Ų | 146.667 | 113.2 Ų | 113.2 | 78% | 0.784 | 62% | 0.622 | S | S | * | * | trans | -121.7 | 124.2 | 157.5 | -109.5 | -29.3 | 0 | 0 | 0 | 109.8 | L730 S734 | L730-D732 VanDerWaalsContact C-N 3.3Å; L730-D732 PolarHBondContact O-N 3.01Å; D732-S734 VanDerWaalsContact C-N 3.34Å; D732-S734 PolarHBondContact O-N 3.43Å | ||
| 733 | N | 28.3 | Very low | 33.6 | Very low | 135.333 Ų | 135.333 | 119.5 Ų | 119.5 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 63.8 | -164.6 | -73.3 | -68.5 | 0 | 0 | 0 | 113.5 | H731 | H731-N733 VanDerWaalsContact CE1-CG 3.43Å; H731-N733 PolarHBondContact CE1-ND2 3.33Å; H731-N733 PolarHBondContact CE1-OD1 2.9Å |
| 734 | S | 29.9 | Very low | 32 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 67% | 0.671 | 67% | 0.67 | S | S | * | * | trans | -144 | 48.9 | 170.9 | 145.7 | 0 | 0 | 0 | 0 | 113.1 | D732 N736 | D732-S734 VanDerWaalsContact C-N 3.34Å; D732-S734 PolarHBondContact O-N 3.43Å; S734-N736 PolarHBondContact O-N 2.88Å | ||
| 735 | L | 29.4 | Very low | 30.8 | Very low | 134.667 Ų | 134.667 | 126.5 Ų | 126.5 | 71% | 0.705 | 68% | 0.683 | S | S | * | * | trans | -150.1 | 59.2 | 161.6 | -113.6 | 98.8 | 0 | 0 | 0 | 112.1 | N737 L738 | L735-N737 PolarHBondContact O-N 3.29Å; L735-L738 HydrophobicContact CD2-CD1 4.39Å; L735-L738 PolarHBondContact O-N 3.3Å | ||
| 736 | N | 29.4 | Very low | 29.8 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 83% | 0.829 | 70% | 0.704 | S | S | * | * | trans | -96.9 | 8.1 | 176.7 | -86.2 | -17.8 | 0 | 0 | 0 | 113.9 | S734 | S734-N736 PolarHBondContact O-N 2.88Š| ||
| 737 | N | 29.7 | Very low | 29.4 | Very low | 139.333 Ų | 139.333 | 134.6 Ų | 134.6 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -117.9 | 34.9 | -176.7 | -73.1 | -28.6 | 0 | 0 | 0 | 113.1 | L735 | L735-N737 PolarHBondContact O-N 3.29Š|
| 738 | L | 28.4 | Very low | 29 | Very low | 132.333 Ų | 132.333 | 134 Ų | 134 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | -133.7 | 23.9 | 171.7 | -80.4 | 165.3 | 0 | 0 | 0 | 113 | L735 | L735-L738 HydrophobicContact CD2-CD1 4.39Å; L735-L738 PolarHBondContact O-N 3.3Å | ||
| 739 | S | 30.7 | Very low | 28.9 | Very low | 93.3333 Ų | 93.3333 | 136 Ų | 136 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 7.7 | 172.5 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 740 | D | 30.3 | Very low | 29.1 | Very low | 151.667 Ų | 151.667 | 133.1 Ų | 133.1 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -131.3 | 14.7 | -175.4 | -75.1 | 4.7 | 0 | 0 | 0 | 113.2 | ||
| 741 | S | 28.3 | Very low | 29.6 | Very low | 100.667 Ų | 100.667 | 132.9 Ų | 132.9 | 70% | 0.704 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -128 | 17.2 | 174.4 | 139.8 | 0 | 0 | 0 | 0 | 113 | N743 | S741-N743 VanDerWaalsContact C-N 3.28Å; S741-N743 PolarHBondContact O-N 3.28Å |
| 742 | M | 28.1 | Very low | 30.7 | Very low | 146.333 Ų | 146.333 | 132.7 Ų | 132.7 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -2.9 | 178.4 | -98.2 | -179.6 | 170.3 | 0 | 0 | 116.6 | D744 | M742-D744 PolarHBondContact O-N 3.29Š|
| 743 | N | 30.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -11.4 | -171.3 | -78.6 | -22.2 | 0 | 0 | 0 | 116.6 | S741 | S741-N743 VanDerWaalsContact C-N 3.28Å; S741-N743 PolarHBondContact O-N 3.28Å |
| 744 | D | 27.2 | Very low | 33.4 | Very low | 148.333 Ų | 148.333 | 123 Ų | 123 | 79% | 0.793 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 20.8 | -173.8 | -100 | -21.9 | 0 | 0 | 0 | 115.1 | M742 | M742-D744 PolarHBondContact O-N 3.29Š|
| 745 | K | 27.7 | Very low | 34.5 | Very low | 187.667 Ų | 187.667 | 123.3 Ų | 123.3 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -115.7 | 16.6 | 178.3 | -78.4 | 179.3 | -179.1 | 174.7 | 0 | 117.9 | ||
| 746 | M | 26.4 | Very low | 35.8 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 62% | 0.616 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -118.7 | 14.3 | 173.8 | -153.3 | 161.6 | 178 | 0 | 0 | 114.8 | T748 | M746-T748 PolarHBondContact O-N 3.46Š|
| 747 | I | 30.8 | Very low | 37.3 | Very low | 145 Ų | 145 | 116.9 Ų | 116.9 | 74% | 0.744 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -87.6 | 15.2 | 178.1 | -57.7 | 175.8 | 0 | 0 | 0 | 111.8 | ||
| 748 | T | 27.8 | Very low | 39.2 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -127 | 38.7 | 180 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | M746 | M746-T748 PolarHBondContact O-N 3.46Š|
| 749 | T | 30.2 | Very low | 41.4 | Very low | 116.333 Ų | 116.333 | 106.1 Ų | 106.1 | 71% | 0.714 | 57% | 0.57 | S | S | * | * | trans | -138.7 | 42.5 | -177.6 | 59.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 750 | T | 36.9 | Very low | 43.3 | Very low | 87 Ų | 87 | 104.7 Ų | 104.7 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -111.7 | 107.2 | 168.4 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | L714 H752 | L714-T750 HydrophobicContact CD1-CG2 4.09Å; L714-T750 VanDerWaalsContact CD1-OG1 3.26Å; L714-T750 WeakPolarHBondContact CD1-OG1 3.48Å; T750-H752 PolarHBondContact O-CD2 3.34Å; T750-H752 PolarHBondContact O-N 3.08Å |
| 751 | D | 40.5 | Very low | 45.3 | Very low | 130.333 Ų | 130.333 | 99 Ų | 99 | 70% | 0.697 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 129.1 | 179.3 | -70.1 | -43.5 | 0 | 0 | 0 | 111.6 | Q637 L753 | Q637-D751 PolarHBondContact NE2-OD2 3.24Å; Q637-D751 PolarHBondContact OE1-OD2 3.38Å; D751-L753 PolarHBondContact O-N 3.18Å |
| 752 | H | 48.7 | Very low | 47.4 | Very low | 149.667 Ų | 149.667 | 97.4 Ų | 97.4 | 69% | 0.693 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 127 | -178.8 | -66.1 | -70.9 | 0 | 0 | 0 | 112 | T711 E712 T750 P754 | T711-H752 PolarHBondContact O-ND1 3.19Å; E712-H752 PolarHBondContact O-ND1 3.48Å; T750-H752 PolarHBondContact O-CD2 3.34Å; T750-H752 PolarHBondContact O-N 3.08Å; H752-P754 WeakPolarHBondContact O-CD 3.41Å |
| 753 | L | 56.2 | Low | 49.6 | Very low | 29.3333 Ų | 29.3333 | 93.2 Ų | 93.2 | 15% | 0.154 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 128.6 | 174.1 | -166.9 | 75.2 | 0 | 0 | 0 | 109.5 | I644 I706 D751 I755 L757 | I644-L753 HydrophobicContact CD1-CD1 4Å; I706-L753 HydrophobicContact CD1-CD2 3.56Å; I706-L753 HydrophobicContact CG1-CD2 3.82Å; I706-L753 HydrophobicContact CG2-CD1 4.03Å; I706-L753 HydrophobicContact CG2-CD2 4.16Å; D751-L753 PolarHBondContact O-N 3.18Å; L753-I755 PolarHBondContact O-N 2.95Å; L753-I755 VanDerWaalsContact O-N 3.14Å; L753-L757 HydrophobicContact CD1-CB 4.08Å; L753-L757 HydrophobicContact CD1-CD1 4.09Å; L753-L757 HydrophobicContact CD2-CB 4.03Å; L753-L757 HydrophobicContact CD2-CD1 4.44Å; L753-L757 WeakPolarHBondContact CD2-O 3.2Å; L753-L757 HydrophobicContact CG-CB 3.9Å; L753-L757 HydrophobicContact CG-CD1 4.11Å |
| 754 | P | 55 | Low | 51.9 | Low | 50 Ų | 50 | 86.4 Ų | 86.4 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 135 | 178.7 | -8.7 | 12.3 | 0 | 0 | 0 | 112 | H752 H756 L757 | H752-P754 WeakPolarHBondContact O-CD 3.41Å; P754-H756 VanDerWaalsContact CB-CE1 3.5Å; P754-H756 WeakPolarHBondContact CB-CE1 3.4Å; P754-H756 WeakPolarHBondContact CB-ND1 3.4Å; P754-H756 VanDerWaalsContact CG-CE1 3.48Å; P754-H756 WeakPolarHBondContact CG-CE1 3.3Å; P754-H756 PolarHBondContact O-N 3.18Å; P754-L757 HydrophobicContact CG-CD1 4Å; P754-L757 HydrophobicContact CG-CG 4.17Å; P754-L757 WeakPolarHBondContact O-CB 3.4Å; P754-L757 PolarHBondContact O-N 3.21Å |
| 755 | I | 52.5 | Low | 54.1 | Low | 102 Ų | 102 | 79.5 Ų | 79.5 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -51.5 | -30.7 | -176.7 | -59.8 | 161 | 0 | 0 | 0 | 112.8 | T711 L753 L757 L758 V830 | T711-I755 HydrophobicContact CG2-CG1 4.02Å; L753-I755 PolarHBondContact O-N 2.95Å; L753-I755 VanDerWaalsContact O-N 3.14Å; I755-L757 VanDerWaalsContact C-N 3.26Å; I755-L757 PolarHBondContact O-N 3.26Å; I755-L758 HydrophobicContact CG2-CD1 4.11Å; I755-L758 WeakPolarHBondContact O-CB 3.32Å; I755-L758 WeakPolarHBondContact O-CG 3.42Å; I755-L758 PolarHBondContact O-N 3.12Å; I755-V830 HydrophobicContact CD1-CG1 3.89Å |
| 756 | H | 55.8 | Low | 56.3 | Low | 147 Ų | 147 | 71.1 Ų | 71.1 | 68% | 0.681 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -67.9 | -18.2 | 178.7 | 38 | -85.6 | 0 | 0 | 0 | 114.4 | H641 P754 L758 | H641-H756 PolarHBondContact NE2-O 3.13Å; H641-H756 VanDerWaalsContact NE2-O 3.14Å; P754-H756 VanDerWaalsContact CB-CE1 3.5Å; P754-H756 WeakPolarHBondContact CB-CE1 3.4Å; P754-H756 WeakPolarHBondContact CB-ND1 3.4Å; P754-H756 VanDerWaalsContact CG-CE1 3.48Å; P754-H756 WeakPolarHBondContact CG-CE1 3.3Å; P754-H756 PolarHBondContact O-N 3.18Å; H756-L758 VanDerWaalsContact C-N 3.32Å; H756-L758 PolarHBondContact O-N 3.16Å |
| 757 | L | 62.2 | Low | 58.7 | Low | 8.66667 Ų | 8.66667 | 65.3 Ų | 65.3 | 5% | 0.045 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -89.7 | 3.5 | 175.6 | -70.2 | 170.3 | 0 | 0 | 0 | 112.8 | R640 H641 I644 A645 I648 L753 P754 I755 | R640-L757 HydrophobicContact CB-CD2 3.71Å; H641-L757 HydrophobicContact CB-CD1 3.89Å; H641-L757 VanDerWaalsContact CD2-CD1 3.43Å; H641-L757 WeakPolarHBondContact CD2-CD1 3.47Å; H641-L757 WeakPolarHBondContact CE1-CD2 3.48Å; H641-L757 WeakPolarHBondContact ND1-CD2 3.41Å; I644-L757 HydrophobicContact CD1-CD2 4.01Å; I644-L757 HydrophobicContact CG2-CB 4.38Å; A645-L757 HydrophobicContact CB-CD2 3.67Å; I648-L757 VanDerWaalsContact CD1-C 3.46Å; I648-L757 HydrophobicContact CD1-CB 4.24Å; I648-L757 HydrophobicContact CD1-CD2 4.18Å; I648-L757 WeakPolarHBondContact CD1-O 3.24Å; L753-L757 HydrophobicContact CD1-CB 4.08Å; L753-L757 HydrophobicContact CD1-CD1 4.09Å; L753-L757 HydrophobicContact CD2-CB 4.03Å; L753-L757 HydrophobicContact CD2-CD1 4.44Å; L753-L757 WeakPolarHBondContact CD2-O 3.2Å; L753-L757 HydrophobicContact CG-CB 3.9Å; L753-L757 HydrophobicContact CG-CD1 4.11Å; P754-L757 HydrophobicContact CG-CD1 4Å; P754-L757 HydrophobicContact CG-CG 4.17Å; P754-L757 WeakPolarHBondContact O-CB 3.4Å; P754-L757 PolarHBondContact O-N 3.21Å; I755-L757 VanDerWaalsContact C-N 3.26Å; I755-L757 PolarHBondContact O-N 3.26Å |
| 758 | L | 68.8 | Low | 60.9 | Low | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -81 | 136.6 | 176.9 | -127.9 | 103.6 | 0 | 0 | 0 | 110.9 | G709 T711 I755 H756 T831 | G709-L758 WeakPolarHBondContact O-CD2 3.38Å; T711-L758 HydrophobicContact CG2-CD1 3.83Å; T711-L758 HydrophobicContact CG2-CD2 4.24Å; T711-L758 HydrophobicContact CG2-CG 4.46Å; I755-L758 HydrophobicContact CG2-CD1 4.11Å; I755-L758 WeakPolarHBondContact O-CB 3.32Å; I755-L758 WeakPolarHBondContact O-CG 3.42Å; I755-L758 PolarHBondContact O-N 3.12Å; H756-L758 VanDerWaalsContact C-N 3.32Å; H756-L758 PolarHBondContact O-N 3.16Å; L758-T831 HydrophobicContact CD1-CG2 3.57Å; L758-T831 HydrophobicContact CD2-CG2 3.9Å |
| 759 | L | 73.8 | Confident | 63.2 | Low | 9.66667 Ų | 9.66667 | 53 Ų | 53 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 137.7 | 173.2 | -111.6 | 64.7 | 0 | 0 | 0 | 110.3 | I644 I648 T651 L707 H763 A764 L767 | I644-L759 HydrophobicContact CG2-CD1 3.6Å; I648-L759 HydrophobicContact CB-CD1 4.04Å; I648-L759 HydrophobicContact CD1-CD1 4.27Å; I648-L759 HydrophobicContact CD1-CD2 3.94Å; I648-L759 HydrophobicContact CD1-CG 4.11Å; I648-L759 HydrophobicContact CG1-CD1 3.59Å; I648-L759 HydrophobicContact CG1-CD2 4.42Å; I648-L759 HydrophobicContact CG2-CD1 3.97Å; T651-L759 HydrophobicContact CG2-CD2 4.19Å; L707-L759 HydrophobicContact CD1-CD1 3.65Å; L707-L759 VanDerWaalsContact CD1-CD1 3.44Å; L707-L759 HydrophobicContact CG-CD1 4.07Å; L707-L759 HydrophobicContact CG-CD2 4.41Å; L759-H763 HydrophobicContact CB-CB 4.45Å; L759-H763 HydrophobicContact CD2-CB 4.03Å; L759-H763 HydrophobicContact CG-CB 4.12Å; L759-A764 HydrophobicContact CB-CB 4.03Å; L759-L767 HydrophobicContact CD2-CB 4.46Å; L759-L767 HydrophobicContact CD2-CD2 3.95Å |
| 760 | P | 71 | Confident | 65.2 | Low | 63.6667 Ų | 63.6667 | 47.5 Ų | 47.5 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 142 | 169 | -25 | 33.6 | 0 | 0 | 0 | 110.5 | N762 H763 A764 | P760-N762 PolarHBondContact O-N 3.11Å; P760-H763 PolarHBondContact O-N 2.93Å; P760-A764 PolarHBondContact O-N 3.03Å; P760-A764 VanDerWaalsContact O-N 3.14Å |
| 761 | P | 72.1 | Confident | 67 | Low | 33 Ų | 33 | 43.4 Ų | 43.4 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -50.8 | -39.2 | -171.3 | -30.2 | 34.2 | 0 | 0 | 0 | 114.2 | H763 A764 I765 F835 | P761-H763 PolarHBondContact O-N 2.91Å; P761-A764 PolarHBondContact O-N 3.08Å; P761-I765 WeakPolarHBondContact O-CB 3.27Å; P761-I765 VanDerWaalsContact O-CD1 3.3Å; P761-I765 WeakPolarHBondContact O-CD1 3.41Å; P761-I765 WeakPolarHBondContact O-CG1 3.23Å; P761-I765 PolarHBondContact O-N 3.11Å; P761-F835 HydrophobicContact CB-CD2 3.77Å; P761-F835 HydrophobicContact CB-CE2 4.14Å; P761-F835 HydrophobicContact CG-CD2 4.02Å |
| 762 | N | 73.1 | Confident | 68.5 | Low | 65.6667 Ų | 65.6667 | 37.6 Ų | 37.6 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 177.9 | -60.1 | -18.5 | 0 | 0 | 0 | 112.2 | P760 I765 D766 G838 Y842 | P760-N762 PolarHBondContact O-N 3.11Å; N762-I765 PolarHBondContact O-N 3.16Å; N762-D766 WeakPolarHBondContact O-CB 3.34Å; N762-D766 PolarHBondContact O-N 3.23Å; N762-G838 PolarHBondContact OD1-O 2.78Å; N762-Y842 HydrophobicContact CB-CD2 4.19Å; N762-Y842 PolarHBondContact OD1-N 3.39Å |
| 763 | H | 75.1 | Confident | 69.5 | Low | 58.6667 Ų | 58.6667 | 31.3 Ų | 31.3 | 27% | 0.272 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.9 | -37.5 | 179.4 | -60.1 | 144.5 | 0 | 0 | 0 | 111.4 | T651 L759 P760 P761 D766 L767 | T651-H763 HydrophobicContact CG2-CB 3.91Å; L759-H763 HydrophobicContact CB-CB 4.45Å; L759-H763 HydrophobicContact CD2-CB 4.03Å; L759-H763 HydrophobicContact CG-CB 4.12Å; P760-H763 PolarHBondContact O-N 2.93Å; P761-H763 PolarHBondContact O-N 2.91Å; H763-D766 PolarHBondContact O-N 3.26Å; H763-L767 VanDerWaalsContact O-CB 3.28Å; H763-L767 WeakPolarHBondContact O-CB 3.46Å; H763-L767 PolarHBondContact O-N 3.18Å |
| 764 | A | 77.4 | Confident | 70 | Confident | 2.66667 Ų | 2.66667 | 30.8 Ų | 30.8 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L708 L759 P760 P761 L767 T768 W821 F835 | L708-A764 HydrophobicContact CD2-CB 4.47Å; L759-A764 HydrophobicContact CB-CB 4.03Å; P760-A764 PolarHBondContact O-N 3.03Å; P760-A764 VanDerWaalsContact O-N 3.14Å; P761-A764 PolarHBondContact O-N 3.08Å; A764-L767 PolarHBondContact O-N 3.19Å; A764-T768 VanDerWaalsContact O-CB 3.26Å; A764-T768 WeakPolarHBondContact O-CB 3.36Å; A764-T768 PolarHBondContact O-N 2.97Å; A764-T768 PolarHBondContact O-OG1 3.06Å; A764-W821 HydrophobicContact CB-CH2 4.26Å; A764-W821 HydrophobicContact CB-CZ2 4.29Å; A764-F835 HydrophobicContact CB-CE2 4.44Å |
| 765 | I | 74.7 | Confident | 70.5 | Confident | 4.66667 Ų | 4.66667 | 29.1 Ų | 29.1 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 177.3 | -64.9 | 160.4 | 0 | 0 | 0 | 110.5 | P761 N762 L767 T768 L769 W821 F835 V839 Y842 | P761-I765 WeakPolarHBondContact O-CB 3.27Å; P761-I765 VanDerWaalsContact O-CD1 3.3Å; P761-I765 WeakPolarHBondContact O-CD1 3.41Å; P761-I765 WeakPolarHBondContact O-CG1 3.23Å; P761-I765 PolarHBondContact O-N 3.11Å; N762-I765 PolarHBondContact O-N 3.16Å; I765-L767 PolarHBondContact O-N 3.45Å; I765-T768 PolarHBondContact O-N 3.17Å; I765-L769 HydrophobicContact CG2-CD1 3.78Å; I765-L769 HydrophobicContact CG2-CG 4.26Å; I765-L769 WeakPolarHBondContact O-CB 3.29Å; I765-L769 VanDerWaalsContact O-CG 3.29Å; I765-L769 WeakPolarHBondContact O-CG 3.21Å; I765-L769 PolarHBondContact O-N 3.03Å; I765-W821 HydrophobicContact CG1-CH2 4.14Å; I765-W821 HydrophobicContact CG1-CZ3 4.29Å; I765-F835 HydrophobicContact CG1-CE2 4.42Å; I765-F835 HydrophobicContact CG1-CZ 4.34Å; I765-V839 HydrophobicContact CD1-CB 4.41Å; I765-V839 HydrophobicContact CD1-CG2 3.82Å; I765-Y842 HydrophobicContact CB-CD1 4.46Å; I765-Y842 HydrophobicContact CB-CD2 4.44Å; I765-Y842 HydrophobicContact CB-CE1 4.42Å; I765-Y842 HydrophobicContact CB-CE2 4.44Å; I765-Y842 HydrophobicContact CB-CG 4.45Å; I765-Y842 HydrophobicContact CD1-CD1 4.23Å; I765-Y842 HydrophobicContact CD1-CG 4Å; I765-Y842 HydrophobicContact CG2-CD1 3.73Å; I765-Y842 HydrophobicContact CG2-CD2 4.41Å; I765-Y842 HydrophobicContact CG2-CE1 3.48Å; I765-Y842 VanDerWaalsContact CG2-CE1 3.46Å; I765-Y842 HydrophobicContact CG2-CE2 4.18Å; I765-Y842 HydrophobicContact CG2-CG 4.2Å |
| 766 | D | 73.5 | Confident | 71.2 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.053 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -49.8 | 177.5 | -83.7 | -34.6 | 0 | 0 | 0 | 111.5 | M655 N762 H763 T768 L769 V770 Y842 H846 L865 | M655-D766 HydrophobicContact CE-CB 3.31Å; M655-D766 VanDerWaalsContact CE-CG 3.44Å; M655-D766 WeakPolarHBondContact CE-OD2 3.41Å; N762-D766 WeakPolarHBondContact O-CB 3.34Å; N762-D766 PolarHBondContact O-N 3.23Å; H763-D766 PolarHBondContact O-N 3.26Å; D766-T768 VanDerWaalsContact C-N 3.34Å; D766-T768 PolarHBondContact O-N 3.13Å; D766-L769 PolarHBondContact O-N 3.2Å; D766-V770 VanDerWaalsContact O-CG2 3.3Å; D766-V770 WeakPolarHBondContact O-CG2 3.32Å; D766-V770 PolarHBondContact O-N 3.38Å; D766-Y842 VanDerWaalsContact OD1-CE2 3.25Å; D766-Y842 WeakPolarHBondContact OD1-CE2 3.28Å; D766-Y842 VanDerWaalsContact OD1-CZ 3.27Å; D766-Y842 PolarHBondContact OD1-OH 3.33Å; D766-H846 IonicContact OD1-CE1 3.63Å; D766-H846 IonicContact OD2-CE1 3.33Å; D766-L865 HydrophobicContact CB-CD2 4.18Å; D766-L865 WeakPolarHBondContact OD1-CD1 3.38Å; D766-L865 WeakPolarHBondContact OD1-CD2 3.47Å |
| 767 | L | 75.7 | Confident | 71.5 | Confident | 4.33333 Ų | 4.33333 | 22.7 Ų | 22.7 | 2% | 0.023 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 179.4 | -173.6 | 69.1 | 0 | 0 | 0 | 112 | T651 F683 F686 I687 L704 L707 L708 L759 H763 A764 I765 L769 V770 L771 | T651-L767 HydrophobicContact CG2-CD1 4.37Å; F683-L767 HydrophobicContact CD1-CD1 4.01Å; F683-L767 HydrophobicContact CE1-CD1 4.44Å; F686-L767 HydrophobicContact CD1-CD1 3.92Å; F686-L767 HydrophobicContact CE1-CD1 3.87Å; I687-L767 HydrophobicContact CD1-CD1 3.62Å; I687-L767 VanDerWaalsContact CD1-CD1 3.4Å; I687-L767 HydrophobicContact CD1-CD2 4.42Å; I687-L767 HydrophobicContact CD1-CG 4.06Å; I687-L767 HydrophobicContact CG1-CD1 3.83Å; L704-L767 HydrophobicContact CD1-CD2 4.14Å; L707-L767 HydrophobicContact CB-CD2 3.91Å; L707-L767 HydrophobicContact CD2-CD2 3.66Å; L707-L767 HydrophobicContact CG-CD2 4.1Å; L707-L767 WeakPolarHBondContact O-CD2 3.37Å; L708-L767 HydrophobicContact CD1-CD2 4.4Å; L708-L767 HydrophobicContact CD2-CB 4.17Å; L708-L767 HydrophobicContact CD2-CD2 3.89Å; L708-L767 HydrophobicContact CD2-CG 4.33Å; L708-L767 HydrophobicContact CG-CD2 4.21Å; L759-L767 HydrophobicContact CD2-CB 4.46Å; L759-L767 HydrophobicContact CD2-CD2 3.95Å; H763-L767 VanDerWaalsContact O-CB 3.28Å; H763-L767 WeakPolarHBondContact O-CB 3.46Å; H763-L767 PolarHBondContact O-N 3.18Å; A764-L767 PolarHBondContact O-N 3.19Å; I765-L767 PolarHBondContact O-N 3.45Å; L767-L769 VanDerWaalsContact C-N 3.35Å; L767-L769 PolarHBondContact O-N 3.29Å; L767-V770 WeakPolarHBondContact O-CB 3.48Å; L767-V770 PolarHBondContact O-N 3.11Å; L767-L771 WeakPolarHBondContact O-CB 3.24Å; L767-L771 PolarHBondContact O-N 3.03Å |
| 768 | T | 77.5 | Confident | 71.4 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | L708 A764 I765 D766 V770 L771 I772 F817 L818 W821 | L708-T768 HydrophobicContact CD2-CG2 4.31Å; L708-T768 VanDerWaalsContact CD2-OG1 3.24Å; L708-T768 WeakPolarHBondContact CD2-OG1 3.46Å; A764-T768 VanDerWaalsContact O-CB 3.26Å; A764-T768 WeakPolarHBondContact O-CB 3.36Å; A764-T768 PolarHBondContact O-N 2.97Å; A764-T768 PolarHBondContact O-OG1 3.06Å; I765-T768 PolarHBondContact O-N 3.17Å; D766-T768 VanDerWaalsContact C-N 3.34Å; D766-T768 PolarHBondContact O-N 3.13Å; T768-V770 VanDerWaalsContact C-N 3.33Å; T768-V770 PolarHBondContact O-N 3Å; T768-L771 WeakPolarHBondContact O-CB 3.41Å; T768-L771 PolarHBondContact O-N 3.14Å; T768-I772 HydrophobicContact CG2-CD1 4.18Å; T768-I772 WeakPolarHBondContact O-CD1 3.49Å; T768-I772 VanDerWaalsContact O-CG1 3.31Å; T768-I772 WeakPolarHBondContact O-CG1 3.39Å; T768-I772 PolarHBondContact O-N 3.19Å; T768-F817 HydrophobicContact CG2-CE1 3.66Å; T768-F817 HydrophobicContact CG2-CZ 4.1Å; T768-L818 HydrophobicContact CG2-CD2 4.44Å; T768-W821 HydrophobicContact CG2-CD2 4.08Å; T768-W821 HydrophobicContact CG2-CE3 4.21Å; T768-W821 HydrophobicContact CG2-CG 4.47Å; T768-W821 HydrophobicContact CG2-CH2 4.28Å; T768-W821 HydrophobicContact CG2-CZ2 4.28Å; T768-W821 HydrophobicContact CG2-CZ3 4.35Å; T768-W821 VanDerWaalsContact OG1-CZ2 3.31Å; T768-W821 WeakPolarHBondContact OG1-CZ2 3.26Å |
| 769 | L | 75.7 | Confident | 71 | Confident | 3.66667 Ų | 3.66667 | 26.1 Ų | 26.1 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 176.9 | -71.1 | 173.1 | 0 | 0 | 0 | 111.7 | I765 D766 L767 L771 I772 V773 L818 Y842 L869 I880 | I765-L769 HydrophobicContact CG2-CD1 3.78Å; I765-L769 HydrophobicContact CG2-CG 4.26Å; I765-L769 WeakPolarHBondContact O-CB 3.29Å; I765-L769 VanDerWaalsContact O-CG 3.29Å; I765-L769 WeakPolarHBondContact O-CG 3.21Å; I765-L769 PolarHBondContact O-N 3.03Å; D766-L769 PolarHBondContact O-N 3.2Å; L767-L769 VanDerWaalsContact C-N 3.35Å; L767-L769 PolarHBondContact O-N 3.29Å; L769-L771 VanDerWaalsContact C-N 3.34Å; L769-I772 HydrophobicContact CD2-CD1 4.33Å; L769-I772 PolarHBondContact O-N 2.96Å; L769-V773 WeakPolarHBondContact O-CB 3.36Å; L769-V773 VanDerWaalsContact O-CG2 3.29Å; L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 3.22Å; L769-L818 HydrophobicContact CD2-CD1 4.4Å; L769-L818 HydrophobicContact CD2-CD2 4.38Å; L769-Y842 HydrophobicContact CD1-CE1 4.28Å; L769-Y842 WeakPolarHBondContact CD1-OH 3.48Å; L769-L869 HydrophobicContact CB-CD1 3.7Å; L769-L869 HydrophobicContact CB-CD2 3.96Å; L769-L869 HydrophobicContact CB-CG 4.49Å; L769-L869 HydrophobicContact CD1-CD2 4.45Å; L769-I880 HydrophobicContact CD1-CD1 4.08Å; L769-I880 HydrophobicContact CD2-CD1 3.84Å; L769-I880 HydrophobicContact CD2-CG1 3.98Å |
| 770 | V | 72.9 | Confident | 70.2 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 173 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | M655 F683 I687 D766 L767 T768 I772 V773 C774 L865 P866 L869 | M655-V770 HydrophobicContact CE-CB 4.14Å; M655-V770 HydrophobicContact CE-CG1 3.66Å; M655-V770 HydrophobicContact CE-CG2 3.36Å; M655-V770 HydrophobicContact SD-CB 4.41Å; M655-V770 HydrophobicContact SD-CG1 3.41Å; M655-V770 WeakPolarHBondContact SD-CG1 3.35Å; M655-V770 HydrophobicContact SD-CG2 4.09Å; F683-V770 HydrophobicContact CB-CB 4.22Å; F683-V770 HydrophobicContact CB-CG1 3.78Å; F683-V770 HydrophobicContact CB-CG2 3.84Å; F683-V770 HydrophobicContact CE2-CG1 4.24Å; F683-V770 HydrophobicContact CG-CG2 4.34Å; F683-V770 HydrophobicContact CZ-CG1 4.29Å; I687-V770 HydrophobicContact CD1-CB 3.77Å; I687-V770 HydrophobicContact CD1-CG1 3.66Å; I687-V770 HydrophobicContact CG1-CG1 4.2Å; D766-V770 VanDerWaalsContact O-CG2 3.3Å; D766-V770 WeakPolarHBondContact O-CG2 3.32Å; D766-V770 PolarHBondContact O-N 3.38Å; L767-V770 WeakPolarHBondContact O-CB 3.48Å; L767-V770 PolarHBondContact O-N 3.11Å; T768-V770 VanDerWaalsContact C-N 3.33Å; T768-V770 PolarHBondContact O-N 3Å; V770-I772 VanDerWaalsContact C-N 3.32Å; V770-I772 PolarHBondContact O-N 3.21Å; V770-V773 PolarHBondContact O-N 3.09Å; V770-V773 VanDerWaalsContact O-N 3.1Å; V770-C774 WeakPolarHBondContact O-CB 3.37Å; V770-C774 PolarHBondContact O-N 3.27Å; V770-C774 PolarHBondContact O-SG 3.21Å; V770-L865 HydrophobicContact CG2-CD2 4.16Å; V770-P866 HydrophobicContact CG1-CG 4.1Å; V770-P866 HydrophobicContact CG2-CG 4.15Å; V770-L869 HydrophobicContact CB-CD1 4.43Å; V770-L869 HydrophobicContact CG2-CD1 3.79Å |
| 771 | L | 74.1 | Confident | 69.3 | Low | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.5 | -48.3 | 176.2 | -169.3 | 75.1 | 0 | 0 | 0 | 111.1 | F683 I687 I691 L704 L708 V718 L721 L722 L767 T768 L769 V773 C774 M775 | F683-L771 HydrophobicContact CZ-CD1 4.41Å; I687-L771 HydrophobicContact CD1-CB 4.28Å; I687-L771 HydrophobicContact CD1-CD1 3.53Å; I687-L771 HydrophobicContact CD1-CG 4.16Å; I687-L771 HydrophobicContact CG2-CD1 3.76Å; I691-L771 HydrophobicContact CD1-CD1 4.15Å; L704-L771 HydrophobicContact CD1-CD1 4.05Å; L704-L771 HydrophobicContact CD1-CD2 4.04Å; L704-L771 HydrophobicContact CD2-CD1 3.61Å; L704-L771 HydrophobicContact CD2-CD2 3.6Å; L704-L771 HydrophobicContact CD2-CG 4.15Å; L708-L771 HydrophobicContact CD1-CD2 4.11Å; L708-L771 HydrophobicContact CD2-CB 4.48Å; L708-L771 HydrophobicContact CD2-CD2 4Å; L708-L771 HydrophobicContact CG-CD2 4.45Å; V718-L771 HydrophobicContact CG1-CD2 4.1Å; L721-L771 HydrophobicContact CD2-CD2 3.86Å; L721-L771 HydrophobicContact CD2-CG 3.97Å; L722-L771 HydrophobicContact CD2-CD1 4.48Å; L767-L771 WeakPolarHBondContact O-CB 3.24Å; L767-L771 PolarHBondContact O-N 3.03Å; T768-L771 WeakPolarHBondContact O-CB 3.41Å; T768-L771 PolarHBondContact O-N 3.14Å; L769-L771 VanDerWaalsContact C-N 3.34Å; L771-V773 VanDerWaalsContact C-N 3.28Å; L771-V773 PolarHBondContact O-N 3.28Å; L771-C774 PolarHBondContact O-N 2.89Å; L771-M775 HydrophobicContact CD1-CG 4.08Å; L771-M775 HydrophobicContact CD1-SD 4.47Å; L771-M775 HydrophobicContact CD2-CE 3.33Å; L771-M775 HydrophobicContact CG-CE 3.84Å; L771-M775 HydrophobicContact CG-CG 4.34Å; L771-M775 WeakPolarHBondContact O-CB 3.41Å; L771-M775 WeakPolarHBondContact O-CG 3.4Å; L771-M775 PolarHBondContact O-N 3.2Å |
| 772 | I | 72.4 | Confident | 68.1 | Low | 8.33333 Ų | 8.33333 | 32.3 Ų | 32.3 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 177.4 | -67.1 | 162.3 | 0 | 0 | 0 | 111.3 | T768 L769 V770 M775 A776 I814 F817 L818 | T768-I772 HydrophobicContact CG2-CD1 4.18Å; T768-I772 WeakPolarHBondContact O-CD1 3.49Å; T768-I772 VanDerWaalsContact O-CG1 3.31Å; T768-I772 WeakPolarHBondContact O-CG1 3.39Å; T768-I772 PolarHBondContact O-N 3.19Å; L769-I772 HydrophobicContact CD2-CD1 4.33Å; L769-I772 PolarHBondContact O-N 2.96Å; V770-I772 VanDerWaalsContact C-N 3.32Å; V770-I772 PolarHBondContact O-N 3.21Å; I772-M775 PolarHBondContact O-N 3.24Å; I772-A776 VanDerWaalsContact O-CB 3.31Å; I772-A776 WeakPolarHBondContact O-CB 3.26Å; I772-A776 PolarHBondContact O-N 3.21Å; I772-I814 HydrophobicContact CG2-CD1 4.12Å; I772-I814 HydrophobicContact CG2-CG1 3.89Å; I772-I814 HydrophobicContact CG2-CG2 3.88Å; I772-F817 HydrophobicContact CD1-CD1 3.61Å; I772-F817 HydrophobicContact CD1-CE1 3.64Å; I772-F817 HydrophobicContact CD1-CG 4.22Å; I772-F817 HydrophobicContact CG1-CD1 3.78Å; I772-F817 HydrophobicContact CG1-CE1 3.72Å; I772-F817 HydrophobicContact CG1-CG 4.26Å; I772-F817 HydrophobicContact CG1-CZ 4.37Å; I772-L818 HydrophobicContact CD1-CD1 4.12Å; I772-L818 HydrophobicContact CD1-CD2 3.65Å; I772-L818 VanDerWaalsContact CD1-CD2 3.46Å; I772-L818 HydrophobicContact CD1-CG 3.88Å |
| 773 | V | 69 | Low | 66.8 | Low | 18 Ų | 18 | 33.3 Ų | 33.3 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 179.4 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L769 V770 L771 M775 A776 N777 P866 E868 L869 | L769-V773 WeakPolarHBondContact O-CB 3.36Å; L769-V773 VanDerWaalsContact O-CG2 3.29Å; L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 3.22Å; V770-V773 PolarHBondContact O-N 3.09Å; V770-V773 VanDerWaalsContact O-N 3.1Å; L771-V773 VanDerWaalsContact C-N 3.28Å; L771-V773 PolarHBondContact O-N 3.28Å; V773-M775 VanDerWaalsContact C-N 3.3Å; V773-M775 PolarHBondContact O-N 3.12Å; V773-A776 PolarHBondContact O-N 3.16Å; V773-N777 WeakPolarHBondContact O-CB 3.26Å; V773-N777 VanDerWaalsContact O-CG 3.28Å; V773-N777 PolarHBondContact O-N 3.03Å; V773-N777 PolarHBondContact O-ND2 3.09Å; V773-P866 HydrophobicContact CG1-CB 4.31Å; V773-P866 HydrophobicContact CG1-CG 4.41Å; V773-E868 HydrophobicContact CG1-CB 4.36Å; V773-E868 HydrophobicContact CG1-CG 4.38Å; V773-E868 HydrophobicContact CG2-CB 4.43Å; V773-L869 HydrophobicContact CG2-CD1 4.32Å; V773-L869 HydrophobicContact CG2-CD2 4.12Å; V773-L869 HydrophobicContact CG2-CG 4.17Å |
| 774 | C | 66.9 | Low | 65.1 | Low | 18.6667 Ų | 18.6667 | 37 Ų | 37 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 175.7 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | F683 S684 V770 L771 N777 V778 | F683-C774 HydrophobicContact CD1-CB 3.45Å; F683-C774 VanDerWaalsContact CD1-CB 3.45Å; F683-C774 HydrophobicContact CD2-CB 4.19Å; F683-C774 HydrophobicContact CE1-CB 3.29Å; F683-C774 HydrophobicContact CE2-CB 4.06Å; F683-C774 HydrophobicContact CG-CB 3.91Å; F683-C774 HydrophobicContact CZ-CB 3.62Å; S684-C774 PolarHBondContact OG-SG 3.11Å; V770-C774 WeakPolarHBondContact O-CB 3.37Å; V770-C774 PolarHBondContact O-N 3.27Å; V770-C774 PolarHBondContact O-SG 3.21Å; L771-C774 PolarHBondContact O-N 2.89Å; C774-N777 PolarHBondContact O-N 3.04Å; C774-V778 WeakPolarHBondContact O-CG2 3.35Å; C774-V778 PolarHBondContact O-N 3.41Å |
| 775 | M | 66.7 | Low | 63.3 | Low | 12.6667 Ų | 12.6667 | 41.2 Ų | 41.2 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 178.3 | -68.1 | -90.4 | -88.9 | 0 | 0 | 112.6 | L721 L722 I725 L771 I772 V773 N777 V778 I779 | L721-M775 HydrophobicContact CD2-CB 3.49Å; L721-M775 VanDerWaalsContact CD2-CB 3.49Å; L721-M775 HydrophobicContact CD2-CE 4.17Å; L721-M775 HydrophobicContact CD2-CG 4.01Å; L721-M775 HydrophobicContact CD2-SD 3.61Å; L721-M775 HydrophobicContact CG-CE 3.92Å; L721-M775 HydrophobicContact CG-CG 4.32Å; L721-M775 WeakPolarHBondContact O-CE 3.35Å; L722-M775 HydrophobicContact CD2-CE 4.21Å; L722-M775 HydrophobicContact CD2-SD 4.09Å; I725-M775 HydrophobicContact CD1-CE 3.33Å; I725-M775 HydrophobicContact CD1-SD 3.61Å; I725-M775 WeakPolarHBondContact CD1-SD 3.33Å; I725-M775 HydrophobicContact CG1-CE 3.9Å; I725-M775 HydrophobicContact CG1-SD 4.41Å; L771-M775 HydrophobicContact CD1-CG 4.08Å; L771-M775 HydrophobicContact CD1-SD 4.47Å; L771-M775 HydrophobicContact CD2-CE 3.33Å; L771-M775 HydrophobicContact CG-CE 3.84Å; L771-M775 HydrophobicContact CG-CG 4.34Å; L771-M775 WeakPolarHBondContact O-CB 3.41Å; L771-M775 WeakPolarHBondContact O-CG 3.4Å; L771-M775 PolarHBondContact O-N 3.2Å; I772-M775 PolarHBondContact O-N 3.24Å; V773-M775 VanDerWaalsContact C-N 3.3Å; V773-M775 PolarHBondContact O-N 3.12Å; M775-N777 VanDerWaalsContact C-N 3.28Å; M775-N777 PolarHBondContact O-N 3.06Å; M775-V778 PolarHBondContact O-N 3.19Å; M775-I779 WeakPolarHBondContact O-CB 3.43Å; M775-I779 VanDerWaalsContact O-CG1 3.27Å; M775-I779 WeakPolarHBondContact O-CG1 3.38Å; M775-I779 PolarHBondContact O-N 3.01Å |
| 776 | A | 65.8 | Low | 61.5 | Low | 26.6667 Ų | 26.6667 | 45.7 Ų | 45.7 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I772 V773 H780 | I772-A776 VanDerWaalsContact O-CB 3.31Å; I772-A776 WeakPolarHBondContact O-CB 3.26Å; I772-A776 PolarHBondContact O-N 3.21Å; V773-A776 PolarHBondContact O-N 3.16Å; A776-H780 VanDerWaalsContact O-CB 3.31Å; A776-H780 WeakPolarHBondContact O-CB 3.43Å; A776-H780 PolarHBondContact O-N 3.08Å |
| 777 | N | 62.8 | Low | 59.8 | Low | 88 Ų | 88 | 50 Ų | 50 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68 | -41.2 | 176.3 | -73.3 | -20.8 | 0 | 0 | 0 | 112.4 | V773 C774 M775 H780 S781 | V773-N777 WeakPolarHBondContact O-CB 3.26Å; V773-N777 VanDerWaalsContact O-CG 3.28Å; V773-N777 PolarHBondContact O-N 3.03Å; V773-N777 PolarHBondContact O-ND2 3.09Å; C774-N777 PolarHBondContact O-N 3.04Å; M775-N777 VanDerWaalsContact C-N 3.28Å; M775-N777 PolarHBondContact O-N 3.06Å; N777-H780 PolarHBondContact O-N 2.92Å; N777-S781 WeakPolarHBondContact O-CB 3.44Å; N777-S781 PolarHBondContact O-N 3.34Å; N777-S781 PolarHBondContact O-OG 2.83Å |
| 778 | V | 60.7 | Low | 57.6 | Low | 46.6667 Ų | 46.6667 | 56.7 Ų | 56.7 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | I725 C774 M775 H780 S781 N782 | I725-V778 HydrophobicContact CD1-CG1 4.45Å; C774-V778 WeakPolarHBondContact O-CG2 3.35Å; C774-V778 PolarHBondContact O-N 3.41Å; M775-V778 PolarHBondContact O-N 3.19Å; V778-H780 VanDerWaalsContact C-N 3.3Å; V778-H780 PolarHBondContact O-N 3.15Å; V778-S781 WeakPolarHBondContact CA-OG 3.49Å; V778-S781 WeakPolarHBondContact O-CB 3.39Å; V778-S781 PolarHBondContact O-N 3.12Å; V778-S781 PolarHBondContact O-OG 3.47Å; V778-N782 PolarHBondContact O-N 3.29Å; V778-N782 VanDerWaalsContact O-N 3.09Å |
| 779 | I | 60.1 | Low | 55.5 | Low | 69 Ų | 69 | 64 Ų | 64 | 35% | 0.354 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.2 | -65.9 | 165.8 | 0 | 0 | 0 | 110.7 | P724 M775 N782 N783 I810 | P724-I779 HydrophobicContact CB-CD1 4.39Å; P724-I779 HydrophobicContact CB-CG1 4.22Å; P724-I779 HydrophobicContact CG-CD1 4.2Å; M775-I779 WeakPolarHBondContact O-CB 3.43Å; M775-I779 VanDerWaalsContact O-CG1 3.27Å; M775-I779 WeakPolarHBondContact O-CG1 3.38Å; M775-I779 PolarHBondContact O-N 3.01Å; I779-N782 PolarHBondContact O-N 3.03Å; I779-N783 PolarHBondContact O-N 3.21Å; I779-N783 VanDerWaalsContact O-N 3.17Å; I779-N783 PolarHBondContact O-ND2 2.99Å; I779-I810 HydrophobicContact CG2-CD1 3.98Å; I779-I810 HydrophobicContact CG2-CG1 4.31Å |
| 780 | H | 57.4 | Low | 53.3 | Low | 98.6667 Ų | 98.6667 | 68.8 Ų | 68.8 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.7 | -34.7 | 177.1 | -164.7 | 73.6 | 0 | 0 | 0 | 112.9 | A776 N777 V778 N783 K784 A805 | A776-H780 VanDerWaalsContact O-CB 3.31Å; A776-H780 WeakPolarHBondContact O-CB 3.43Å; A776-H780 PolarHBondContact O-N 3.08Å; N777-H780 PolarHBondContact O-N 2.92Å; V778-H780 VanDerWaalsContact C-N 3.3Å; V778-H780 PolarHBondContact O-N 3.15Å; H780-N783 PolarHBondContact O-N 3.31Å; H780-K784 WeakPolarHBondContact NE2-CE 3.39Å; H780-K784 PolarHBondContact O-N 3.3Å; H780-A805 VanDerWaalsContact CE1-CB 3.48Å; H780-A805 WeakPolarHBondContact CE1-CB 3.36Å |
| 781 | S | 52.5 | Low | 51.1 | Low | 59 Ų | 59 | 73.9 Ų | 73.9 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 174.8 | 159.5 | 0 | 0 | 0 | 0 | 111.8 | N777 V778 N783 K784 T785 | N777-S781 WeakPolarHBondContact O-CB 3.44Å; N777-S781 PolarHBondContact O-N 3.34Å; N777-S781 PolarHBondContact O-OG 2.83Å; V778-S781 WeakPolarHBondContact CA-OG 3.49Å; V778-S781 WeakPolarHBondContact O-CB 3.39Å; V778-S781 PolarHBondContact O-N 3.12Å; V778-S781 PolarHBondContact O-OG 3.47Å; S781-N783 VanDerWaalsContact C-N 3.26Å; S781-N783 PolarHBondContact O-N 3.25Å; S781-K784 WeakPolarHBondContact O-CB 3.34Å; S781-K784 PolarHBondContact O-N 3.36Å; S781-K784 VanDerWaalsContact O-N 3.12Å; S781-T785 PolarHBondContact O-N 3.26Å; S781-T785 PolarHBondContact O-OG1 3.23Å |
| 782 | N | 45.8 | Very low | 48.9 | Very low | 78.6667 Ų | 78.6667 | 82.5 Ų | 82.5 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -31.5 | -178.7 | -73.6 | -4.2 | 0 | 0 | 0 | 112.9 | V778 I779 K784 T785 T786 | V778-N782 PolarHBondContact O-N 3.29Å; V778-N782 VanDerWaalsContact O-N 3.09Å; I779-N782 PolarHBondContact O-N 3.03Å; N782-K784 VanDerWaalsContact C-N 3.28Å; N782-K784 PolarHBondContact O-N 2.9Å; N782-T785 PolarHBondContact O-N 3.19Å; N782-T785 PolarHBondContact O-OG1 3.21Å; N782-T785 VanDerWaalsContact O-OG1 3.09Å; N782-T786 WeakPolarHBondContact O-CG2 3.36Å; N782-T786 PolarHBondContact O-N 2.84Å; N782-T786 PolarHBondContact O-OG1 3.05Å |
| 783 | N | 45.5 | Very low | 46.6 | Very low | 86.3333 Ų | 86.3333 | 90.6 Ų | 90.6 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.6 | -24.1 | 174.4 | -78.2 | -41.4 | 0 | 0 | 0 | 113.4 | I779 H780 S781 T786 T787 | I779-N783 PolarHBondContact O-N 3.21Å; I779-N783 VanDerWaalsContact O-N 3.17Å; I779-N783 PolarHBondContact O-ND2 2.99Å; H780-N783 PolarHBondContact O-N 3.31Å; S781-N783 VanDerWaalsContact C-N 3.26Å; S781-N783 PolarHBondContact O-N 3.25Å; N783-T786 PolarHBondContact O-OG1 3.36Å; N783-T787 PolarHBondContact O-OG1 2.65Å; N783-T787 VanDerWaalsContact O-OG1 3.13Å |
| 784 | K | 39.9 | Very low | 44.8 | Very low | 136 Ų | 136 | 97.4 Ų | 97.4 | 59% | 0.591 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.3 | -36.3 | 177 | -106.3 | 176.9 | -178.9 | 172.9 | 0 | 112.4 | H780 S781 N782 T786 T787 | H780-K784 WeakPolarHBondContact NE2-CE 3.39Å; H780-K784 PolarHBondContact O-N 3.3Å; S781-K784 WeakPolarHBondContact O-CB 3.34Å; S781-K784 PolarHBondContact O-N 3.36Å; S781-K784 VanDerWaalsContact O-N 3.12Å; N782-K784 VanDerWaalsContact C-N 3.28Å; N782-K784 PolarHBondContact O-N 2.9Å; K784-T786 VanDerWaalsContact C-N 3.27Å; K784-T786 PolarHBondContact O-N 2.95Å; K784-T787 PolarHBondContact O-N 3.06Å; K784-T787 PolarHBondContact O-OG1 3.12Å |
| 785 | T | 39.3 | Very low | 43 | Very low | 91.6667 Ų | 91.6667 | 103.2 Ų | 103.2 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.7 | -33.1 | 179.2 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | S781 N782 T787 M788 | S781-T785 PolarHBondContact O-N 3.26Å; S781-T785 PolarHBondContact O-OG1 3.23Å; N782-T785 PolarHBondContact O-N 3.19Å; N782-T785 PolarHBondContact O-OG1 3.21Å; N782-T785 VanDerWaalsContact O-OG1 3.09Å; T785-T787 VanDerWaalsContact C-N 3.3Å; T785-T787 PolarHBondContact O-N 3.22Å; T785-M788 PolarHBondContact O-N 3.18Å |
| 786 | T | 38 | Very low | 41.1 | Very low | 99.6667 Ų | 99.6667 | 106 Ų | 106 | 61% | 0.611 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -20 | 175.9 | 13.3 | 0 | 0 | 0 | 0 | 114.1 | N782 N783 K784 M788 | N782-T786 WeakPolarHBondContact O-CG2 3.36Å; N782-T786 PolarHBondContact O-N 2.84Å; N782-T786 PolarHBondContact O-OG1 3.05Å; N783-T786 PolarHBondContact O-OG1 3.36Å; K784-T786 VanDerWaalsContact C-N 3.27Å; K784-T786 PolarHBondContact O-N 2.95Å; T786-M788 PolarHBondContact O-N 3.3Å |
| 787 | T | 36.6 | Very low | 39.3 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -8.4 | -177.9 | 50.2 | 0 | 0 | 0 | 0 | 115.3 | N783 K784 T785 | N783-T787 PolarHBondContact O-OG1 2.65Å; N783-T787 VanDerWaalsContact O-OG1 3.13Å; K784-T787 PolarHBondContact O-N 3.06Å; K784-T787 PolarHBondContact O-OG1 3.12Å; T785-T787 VanDerWaalsContact C-N 3.3Å; T785-T787 PolarHBondContact O-N 3.22Å |
| 788 | M | 31 | Very low | 37.7 | Very low | 146.667 Ų | 146.667 | 114.7 Ų | 114.7 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -13.2 | -177.9 | -78.1 | -74.1 | 151.2 | 0 | 0 | 115 | T785 T786 S790 S791 | T785-M788 PolarHBondContact O-N 3.18Å; T786-M788 PolarHBondContact O-N 3.3Å; M788-S790 PolarHBondContact O-N 3.49Å; M788-S790 VanDerWaalsContact O-N 3.1Å; M788-S791 PolarHBondContact O-OG 3Å |
| 789 | N | 32.6 | Very low | 36.1 | Very low | 152.667 Ų | 152.667 | 118.1 Ų | 118.1 | 82% | 0.816 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -97.4 | 15.2 | -179.3 | -75.5 | -7.7 | 0 | 0 | 0 | 114.6 | ||
| 790 | S | 29.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | trans | -115.7 | 55.4 | 175.2 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | M788 Q792 | M788-S790 PolarHBondContact O-N 3.49Å; M788-S790 VanDerWaalsContact O-N 3.1Å; S790-Q792 VanDerWaalsContact C-N 3.27Å; S790-Q792 PolarHBondContact O-N 2.96Å; S790-Q792 VanDerWaalsContact O-N 3.13Å | ||
| 791 | S | 26.1 | Very low | 33.2 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -87.7 | 82.4 | 171.6 | -36.1 | 0 | 0 | 0 | 0 | 111.1 | M788 | M788-S791 PolarHBondContact O-OG 3Š| ||
| 792 | Q | 28.2 | Very low | 32.1 | Very low | 182 Ų | 182 | 122 Ų | 122 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | trans | -149.1 | 116.4 | 156.1 | -101.7 | -179.5 | 20.8 | 0 | 0 | 111.5 | S790 I794 | S790-Q792 VanDerWaalsContact C-N 3.27Å; S790-Q792 PolarHBondContact O-N 2.96Å; S790-Q792 VanDerWaalsContact O-N 3.13Å; Q792-I794 PolarHBondContact O-N 3.27Å | ||
| 793 | M | 24.9 | Very low | 31.3 | Very low | 179.333 Ų | 179.333 | 122.8 Ų | 122.8 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -17.3 | 134.5 | 173.8 | -60.8 | -178.9 | 143.7 | 0 | 0 | 113.9 | ||||
| 794 | I | 31 | Very low | 30.6 | Very low | 160.667 Ų | 160.667 | 122.3 Ų | 122.3 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | -148.2 | 130.3 | 98 | -71.7 | 168.5 | 0 | 0 | 0 | 108.9 | Q792 | Q792-I794 PolarHBondContact O-N 3.27Š| |||
| 795 | T | 28.9 | Very low | 30.3 | Very low | 139.333 Ų | 139.333 | 118.7 Ų | 118.7 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | -47.9 | 124.7 | 173.7 | 54 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 796 | G | 27.5 | Very low | 30.5 | Very low | 72.3333 Ų | 72.3333 | 116.8 Ų | 116.8 | 75% | 0.746 | 70% | 0.702 | S | S | * | * | trans | 179.8 | 106.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E798 | G796-E798 PolarHBondContact O-N 3.17Å; G796-E798 VanDerWaalsContact O-N 3.13Å | ||
| 797 | S | 27.6 | Very low | 30.8 | Very low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -51.8 | 96 | 168.3 | 133.3 | 0 | 0 | 0 | 0 | 114 | ||
| 798 | E | 28 | Very low | 31.7 | Very low | 177 Ų | 177 | 116 Ų | 116 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | -159.9 | 55.6 | 161.1 | -118.1 | 167.3 | -138.3 | 0 | 0 | 113.9 | G796 T801 | G796-E798 PolarHBondContact O-N 3.17Å; G796-E798 VanDerWaalsContact O-N 3.13Å; E798-T801 PolarHBondContact O-OG1 3.06Å | ||
| 799 | T | 27.4 | Very low | 32.9 | Very low | 118.333 Ų | 118.333 | 112.1 Ų | 112.1 | 73% | 0.726 | 68% | 0.679 | S | S | * | * | trans | -102 | 28.7 | -173 | 50.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 800 | T | 28.2 | Very low | 34 | Very low | 121.667 Ų | 121.667 | 107 Ų | 107 | 75% | 0.746 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -91.5 | -16.9 | 173.5 | 62.7 | 0 | 0 | 0 | 0 | 115.5 | S804 | T800-S804 PolarHBondContact O-OG 2.96Š|
| 801 | T | 29.4 | Very low | 35.6 | Very low | 97 Ų | 97 | 104.8 Ų | 104.8 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.8 | -13.3 | 179.2 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | E798 V803 S804 A805 | E798-T801 PolarHBondContact O-OG1 3.06Å; T801-V803 HydrophobicContact CG2-CG2 4.13Å; T801-V803 PolarHBondContact O-N 2.75Å; T801-S804 PolarHBondContact O-N 2.97Å; T801-S804 PolarHBondContact O-OG 3.15Å; T801-A805 WeakPolarHBondContact O-CB 3.42Å; T801-A805 PolarHBondContact O-N 3.14Å; T801-A805 VanDerWaalsContact O-N 3.1Å |
| 802 | S | 28.2 | Very low | 37.4 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.3 | -17.7 | 175 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | A805 S806 | S802-A805 PolarHBondContact O-N 3.03Å; S802-S806 PolarHBondContact O-N 3.21Å; S802-S806 VanDerWaalsContact O-N 3.16Å; S802-S806 PolarHBondContact O-OG 3.23Å |
| 803 | V | 29.1 | Very low | 39.1 | Very low | 95.5 Ų | 95.5 | 98.3 Ų | 98.3 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.3 | -25.9 | -179.6 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | T801 S806 L807 | T801-V803 HydrophobicContact CG2-CG2 4.13Å; T801-V803 PolarHBondContact O-N 2.75Å; V803-S806 WeakPolarHBondContact CA-OG 3.24Å; V803-S806 PolarHBondContact O-OG 3.21Å; V803-S806 VanDerWaalsContact O-OG 3.09Å; V803-L807 WeakPolarHBondContact O-CB 3.39Å; V803-L807 PolarHBondContact O-N 3.11Å |
| 804 | S | 30.9 | Very low | 41.1 | Very low | 75.5 Ų | 75.5 | 91 Ų | 91 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.1 | -29.2 | 174.6 | 37.7 | 0 | 0 | 0 | 0 | 113.3 | T800 T801 L807 V808 | T800-S804 PolarHBondContact O-OG 2.96Å; T801-S804 PolarHBondContact O-N 2.97Å; T801-S804 PolarHBondContact O-OG 3.15Å; S804-L807 PolarHBondContact O-N 3Å; S804-V808 WeakPolarHBondContact O-CB 3.38Å; S804-V808 VanDerWaalsContact O-CG2 3.29Å; S804-V808 WeakPolarHBondContact O-CG2 3.32Å; S804-V808 PolarHBondContact O-N 3.13Å |
| 805 | A | 34 | Very low | 43 | Very low | 60.5 Ų | 60.5 | 87 Ų | 87 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H780 T801 S802 L807 V808 S809 | H780-A805 VanDerWaalsContact CE1-CB 3.48Å; H780-A805 WeakPolarHBondContact CE1-CB 3.36Å; T801-A805 WeakPolarHBondContact O-CB 3.42Å; T801-A805 PolarHBondContact O-N 3.14Å; T801-A805 VanDerWaalsContact O-N 3.1Å; S802-A805 PolarHBondContact O-N 3.03Å; A805-L807 PolarHBondContact O-N 2.72Å; A805-V808 PolarHBondContact O-N 3.36Å; A805-S809 VanDerWaalsContact O-CB 3.23Å; A805-S809 WeakPolarHBondContact O-CB 3.43Å; A805-S809 PolarHBondContact O-N 2.94Å; A805-S809 VanDerWaalsContact O-N 3.11Å |
| 806 | S | 44 | Very low | 45.1 | Very low | 50.75 Ų | 50.75 | 83.7 Ų | 83.7 | 36% | 0.355 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -26.8 | -178.1 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | S802 V803 V808 S809 I810 | S802-S806 PolarHBondContact O-N 3.21Å; S802-S806 VanDerWaalsContact O-N 3.16Å; S802-S806 PolarHBondContact O-OG 3.23Å; V803-S806 WeakPolarHBondContact CA-OG 3.24Å; V803-S806 PolarHBondContact O-OG 3.21Å; V803-S806 VanDerWaalsContact O-OG 3.09Å; S806-V808 PolarHBondContact O-N 2.75Å; S806-S809 WeakPolarHBondContact O-CB 3.39Å; S806-S809 PolarHBondContact O-N 3.23Å; S806-S809 PolarHBondContact O-OG 2.98Å; S806-S809 WeakPolarHBondContact OG-CB 3.37Å; S806-S809 PolarHBondContact OG-OG 3.18Å; S806-S809 VanDerWaalsContact OG-OG 3.13Å; S806-I810 WeakPolarHBondContact O-CB 3.29Å; S806-I810 VanDerWaalsContact O-CD1 3.3Å; S806-I810 WeakPolarHBondContact O-CD1 3.17Å; S806-I810 VanDerWaalsContact O-CG1 3.32Å; S806-I810 WeakPolarHBondContact O-CG1 3.41Å; S806-I810 PolarHBondContact O-N 3.31Å |
| 807 | L | 44.9 | Very low | 47.3 | Very low | 104.5 Ų | 104.5 | 80.8 Ų | 80.8 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.3 | -159.8 | 119.4 | 0 | 0 | 0 | 112.1 | V803 S804 A805 S809 I810 Q811 | V803-L807 WeakPolarHBondContact O-CB 3.39Å; V803-L807 PolarHBondContact O-N 3.11Å; S804-L807 PolarHBondContact O-N 3Å; A805-L807 PolarHBondContact O-N 2.72Å; L807-S809 VanDerWaalsContact C-N 3.32Å; L807-S809 PolarHBondContact O-N 3Å; L807-I810 PolarHBondContact O-N 3.1Å; L807-Q811 HydrophobicContact CD2-CG 4.16Å; L807-Q811 WeakPolarHBondContact O-CB 3.39Å; L807-Q811 VanDerWaalsContact O-CG 3.28Å; L807-Q811 WeakPolarHBondContact O-CG 3.34Å; L807-Q811 PolarHBondContact O-N 3.32Å |
| 808 | V | 55.2 | Low | 49.7 | Very low | 77.5 Ų | 77.5 | 75.3 Ų | 75.3 | 47% | 0.47 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 175 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | S804 A805 S806 Q811 N812 | S804-V808 WeakPolarHBondContact O-CB 3.38Å; S804-V808 VanDerWaalsContact O-CG2 3.29Å; S804-V808 WeakPolarHBondContact O-CG2 3.32Å; S804-V808 PolarHBondContact O-N 3.13Å; A805-V808 PolarHBondContact O-N 3.36Å; S806-V808 PolarHBondContact O-N 2.75Å; V808-Q811 PolarHBondContact O-N 3.05Å; V808-N812 VanDerWaalsContact O-CB 3.3Å; V808-N812 WeakPolarHBondContact O-CB 3.37Å; V808-N812 VanDerWaalsContact O-CG 3.24Å; V808-N812 PolarHBondContact O-N 2.96Å; V808-N812 PolarHBondContact O-ND2 3.1Å |
| 809 | S | 55.5 | Low | 52 | Low | 64.5 Ų | 64.5 | 68.5 Ų | 68.5 | 45% | 0.451 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 175.7 | 158.2 | 0 | 0 | 0 | 0 | 111.4 | A805 S806 L807 Q811 N812 S813 | A805-S809 VanDerWaalsContact O-CB 3.23Å; A805-S809 WeakPolarHBondContact O-CB 3.43Å; A805-S809 PolarHBondContact O-N 2.94Å; A805-S809 VanDerWaalsContact O-N 3.11Å; S806-S809 WeakPolarHBondContact O-CB 3.39Å; S806-S809 PolarHBondContact O-N 3.23Å; S806-S809 PolarHBondContact O-OG 2.98Å; S806-S809 WeakPolarHBondContact OG-CB 3.37Å; S806-S809 PolarHBondContact OG-OG 3.18Å; S806-S809 VanDerWaalsContact OG-OG 3.13Å; L807-S809 VanDerWaalsContact C-N 3.32Å; L807-S809 PolarHBondContact O-N 3Å; S809-Q811 PolarHBondContact O-N 3.1Å; S809-N812 PolarHBondContact O-N 2.88Å; S809-S813 WeakPolarHBondContact O-CB 3.42Å; S809-S813 PolarHBondContact O-N 3.28Å; S809-S813 PolarHBondContact O-OG 3.11Å; S809-S813 VanDerWaalsContact O-OG 3.1Å |
| 810 | I | 55.6 | Low | 54.4 | Low | 46.25 Ų | 46.25 | 65.9 Ų | 65.9 | 24% | 0.237 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 177.1 | -65.8 | 165.9 | 0 | 0 | 0 | 110.8 | I779 S806 L807 N812 S813 I814 | I779-I810 HydrophobicContact CG2-CD1 3.98Å; I779-I810 HydrophobicContact CG2-CG1 4.31Å; S806-I810 WeakPolarHBondContact O-CB 3.29Å; S806-I810 VanDerWaalsContact O-CD1 3.3Å; S806-I810 WeakPolarHBondContact O-CD1 3.17Å; S806-I810 VanDerWaalsContact O-CG1 3.32Å; S806-I810 WeakPolarHBondContact O-CG1 3.41Å; S806-I810 PolarHBondContact O-N 3.31Å; L807-I810 PolarHBondContact O-N 3.1Å; I810-N812 VanDerWaalsContact C-N 3.31Å; I810-N812 PolarHBondContact O-N 3.29Å; I810-S813 WeakPolarHBondContact O-CB 3.48Å; I810-S813 PolarHBondContact O-N 2.79Å; I810-I814 HydrophobicContact CG2-CD1 3.81Å; I810-I814 HydrophobicContact CG2-CG1 4.4Å; I810-I814 WeakPolarHBondContact O-CB 3.48Å; I810-I814 VanDerWaalsContact O-CG1 3.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.41Å; I810-I814 PolarHBondContact O-N 3.22Å |
| 811 | Q | 62.1 | Low | 56.7 | Low | 60.25 Ų | 60.25 | 60.2 Ų | 60.2 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.3 | -94.5 | -179.4 | -19.4 | 0 | 0 | 112.3 | L807 V808 S809 I814 K815 H879 | L807-Q811 HydrophobicContact CD2-CG 4.16Å; L807-Q811 WeakPolarHBondContact O-CB 3.39Å; L807-Q811 VanDerWaalsContact O-CG 3.28Å; L807-Q811 WeakPolarHBondContact O-CG 3.34Å; L807-Q811 PolarHBondContact O-N 3.32Å; V808-Q811 PolarHBondContact O-N 3.05Å; S809-Q811 PolarHBondContact O-N 3.1Å; Q811-I814 PolarHBondContact O-N 3.24Å; Q811-K815 WeakPolarHBondContact O-CB 3.34Å; Q811-K815 VanDerWaalsContact O-CG 3.29Å; Q811-K815 WeakPolarHBondContact O-CG 3.2Å; Q811-K815 PolarHBondContact O-N 3.05Å; Q811-K815 VanDerWaalsContact O-N 3.09Å; Q811-H879 PolarHBondContact NE2-CE1 3.23Å; Q811-H879 PolarHBondContact NE2-NE2 3.32Å |
| 812 | N | 65.4 | Low | 59.2 | Low | 92.75 Ų | 92.75 | 55.7 Ų | 55.7 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 176.1 | -73.8 | -21 | 0 | 0 | 0 | 111.9 | V808 S809 I810 K815 S816 | V808-N812 VanDerWaalsContact O-CB 3.3Å; V808-N812 WeakPolarHBondContact O-CB 3.37Å; V808-N812 VanDerWaalsContact O-CG 3.24Å; V808-N812 PolarHBondContact O-N 2.96Å; V808-N812 PolarHBondContact O-ND2 3.1Å; S809-N812 PolarHBondContact O-N 2.88Å; I810-N812 VanDerWaalsContact C-N 3.31Å; I810-N812 PolarHBondContact O-N 3.29Å; N812-K815 PolarHBondContact O-N 3.16Å; N812-S816 VanDerWaalsContact O-CB 3.31Å; N812-S816 WeakPolarHBondContact O-CB 3.41Å; N812-S816 PolarHBondContact O-N 3.03Å |
| 813 | S | 63.6 | Low | 61.5 | Low | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 174.9 | -83.1 | 0 | 0 | 0 | 0 | 111.8 | S809 I810 K815 S816 F817 | S809-S813 WeakPolarHBondContact O-CB 3.42Å; S809-S813 PolarHBondContact O-N 3.28Å; S809-S813 PolarHBondContact O-OG 3.11Å; S809-S813 VanDerWaalsContact O-OG 3.1Å; I810-S813 WeakPolarHBondContact O-CB 3.48Å; I810-S813 PolarHBondContact O-N 2.79Å; S813-K815 VanDerWaalsContact C-N 3.34Å; S813-K815 PolarHBondContact O-N 2.89Å; S813-S816 PolarHBondContact O-N 3.02Å; S813-F817 WeakPolarHBondContact O-CB 3.36Å; S813-F817 PolarHBondContact O-N 3.28Å |
| 814 | I | 67.6 | Low | 63.8 | Low | 26 Ų | 26 | 50.6 Ų | 50.6 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 175.7 | -67.4 | 168.8 | 0 | 0 | 0 | 110.7 | I772 I810 Q811 S816 F817 L818 | I772-I814 HydrophobicContact CG2-CD1 4.12Å; I772-I814 HydrophobicContact CG2-CG1 3.89Å; I772-I814 HydrophobicContact CG2-CG2 3.88Å; I810-I814 HydrophobicContact CG2-CD1 3.81Å; I810-I814 HydrophobicContact CG2-CG1 4.4Å; I810-I814 WeakPolarHBondContact O-CB 3.48Å; I810-I814 VanDerWaalsContact O-CG1 3.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.41Å; I810-I814 PolarHBondContact O-N 3.22Å; Q811-I814 PolarHBondContact O-N 3.24Å; I814-S816 VanDerWaalsContact C-N 3.35Å; I814-S816 PolarHBondContact O-N 2.82Å; I814-F817 PolarHBondContact O-N 3.18Å; I814-L818 HydrophobicContact CG2-CD1 3.92Å; I814-L818 HydrophobicContact CG2-CG 4.35Å; I814-L818 WeakPolarHBondContact O-CB 3.35Å; I814-L818 WeakPolarHBondContact O-CG 3.37Å; I814-L818 PolarHBondContact O-N 3.13Å |
| 815 | K | 70.8 | Confident | 65.9 | Low | 77.75 Ų | 77.75 | 47.5 Ų | 47.5 | 34% | 0.338 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 178.1 | -158.2 | 177.8 | 178.2 | 176 | 0 | 112 | Q811 N812 S813 S819 H879 | Q811-K815 WeakPolarHBondContact O-CB 3.34Å; Q811-K815 VanDerWaalsContact O-CG 3.29Å; Q811-K815 WeakPolarHBondContact O-CG 3.2Å; Q811-K815 PolarHBondContact O-N 3.05Å; Q811-K815 VanDerWaalsContact O-N 3.09Å; N812-K815 PolarHBondContact O-N 3.16Å; S813-K815 VanDerWaalsContact C-N 3.34Å; S813-K815 PolarHBondContact O-N 2.89Å; K815-S819 VanDerWaalsContact O-CB 3.23Å; K815-S819 WeakPolarHBondContact O-CB 3.31Å; K815-S819 PolarHBondContact O-N 2.98Å; K815-H879 WeakPolarHBondContact CE-CE1 3.4Å; K815-H879 WeakPolarHBondContact CE-ND1 3.34Å |
| 816 | S | 72.3 | Confident | 68 | Low | 70 Ų | 70 | 44.7 Ų | 44.7 | 49% | 0.49 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 178.6 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | N812 S813 I814 S819 Q820 | N812-S816 VanDerWaalsContact O-CB 3.31Å; N812-S816 WeakPolarHBondContact O-CB 3.41Å; N812-S816 PolarHBondContact O-N 3.03Å; S813-S816 PolarHBondContact O-N 3.02Å; I814-S816 VanDerWaalsContact C-N 3.35Å; I814-S816 PolarHBondContact O-N 2.82Å; S816-S819 PolarHBondContact O-N 3.23Å; S816-Q820 WeakPolarHBondContact O-CB 3.39Å; S816-Q820 PolarHBondContact O-N 3.07Å; S816-Q820 VanDerWaalsContact O-N 3.1Å |
| 817 | F | 74.5 | Confident | 69.6 | Low | 11.75 Ų | 11.75 | 46.7 Ų | 46.7 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.6 | -54.4 | 176.5 | 172.9 | -92.3 | 0 | 0 | 0 | 111.6 | A717 V718 L721 T768 I772 S813 I814 S819 Q820 W821 | A717-F817 VanDerWaalsContact C-CE2 3.43Å; A717-F817 HydrophobicContact CB-CD2 3.86Å; A717-F817 HydrophobicContact CB-CE2 3.82Å; A717-F817 HydrophobicContact CB-CG 4.16Å; A717-F817 HydrophobicContact CB-CZ 4.3Å; A717-F817 WeakPolarHBondContact O-CD2 3.2Å; A717-F817 VanDerWaalsContact O-CE2 3.28Å; A717-F817 WeakPolarHBondContact O-CE2 3.36Å; V718-F817 HydrophobicContact CB-CE2 4.39Å; V718-F817 HydrophobicContact CG2-CE2 3.99Å; V718-F817 HydrophobicContact CG2-CZ 3.95Å; L721-F817 HydrophobicContact CB-CD2 3.99Å; L721-F817 HydrophobicContact CB-CE2 4.06Å; L721-F817 HydrophobicContact CD1-CB 4.25Å; L721-F817 HydrophobicContact CD1-CD2 3.85Å; L721-F817 HydrophobicContact CD1-CE2 4.32Å; L721-F817 HydrophobicContact CD1-CG 4.14Å; L721-F817 HydrophobicContact CD2-CD1 4.5Å; L721-F817 HydrophobicContact CD2-CD2 4.15Å; L721-F817 HydrophobicContact CD2-CE1 4.25Å; L721-F817 HydrophobicContact CD2-CE2 3.82Å; L721-F817 HydrophobicContact CD2-CG 4.4Å; L721-F817 HydrophobicContact CD2-CZ 3.97Å; L721-F817 HydrophobicContact CG-CD2 4.31Å; L721-F817 HydrophobicContact CG-CE2 4.27Å; T768-F817 HydrophobicContact CG2-CE1 3.66Å; T768-F817 HydrophobicContact CG2-CZ 4.1Å; I772-F817 HydrophobicContact CD1-CD1 3.61Å; I772-F817 HydrophobicContact CD1-CE1 3.64Å; I772-F817 HydrophobicContact CD1-CG 4.22Å; I772-F817 HydrophobicContact CG1-CD1 3.78Å; I772-F817 HydrophobicContact CG1-CE1 3.72Å; I772-F817 HydrophobicContact CG1-CG 4.26Å; I772-F817 HydrophobicContact CG1-CZ 4.37Å; S813-F817 WeakPolarHBondContact O-CB 3.36Å; S813-F817 PolarHBondContact O-N 3.28Å; I814-F817 PolarHBondContact O-N 3.18Å; F817-S819 VanDerWaalsContact C-N 3.3Å; F817-S819 PolarHBondContact O-N 3.14Å; F817-Q820 PolarHBondContact O-N 3.22Å; F817-Q820 VanDerWaalsContact O-N 3.14Å; F817-W821 HydrophobicContact CD1-CB 4.31Å; F817-W821 HydrophobicContact CE1-CB 3.91Å; F817-W821 HydrophobicContact CE1-CD2 4.48Å; F817-W821 HydrophobicContact CE1-CG 4Å; F817-W821 HydrophobicContact CZ-CB 4.43Å; F817-W821 HydrophobicContact CZ-CG 4.41Å; F817-W821 VanDerWaalsContact O-CB 3.29Å; F817-W821 WeakPolarHBondContact O-CB 3.41Å; F817-W821 PolarHBondContact O-N 2.95Å |
| 818 | L | 76.3 | Confident | 70.9 | Confident | 2.25 Ų | 2.25 | 42.9 Ų | 42.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | -179.3 | -76 | 173.6 | 0 | 0 | 0 | 111.6 | T768 L769 I772 I814 Q820 W821 F822 I880 S883 | T768-L818 HydrophobicContact CG2-CD2 4.44Å; L769-L818 HydrophobicContact CD2-CD1 4.4Å; L769-L818 HydrophobicContact CD2-CD2 4.38Å; I772-L818 HydrophobicContact CD1-CD1 4.12Å; I772-L818 HydrophobicContact CD1-CD2 3.65Å; I772-L818 VanDerWaalsContact CD1-CD2 3.46Å; I772-L818 HydrophobicContact CD1-CG 3.88Å; I814-L818 HydrophobicContact CG2-CD1 3.92Å; I814-L818 HydrophobicContact CG2-CG 4.35Å; I814-L818 WeakPolarHBondContact O-CB 3.35Å; I814-L818 WeakPolarHBondContact O-CG 3.37Å; I814-L818 PolarHBondContact O-N 3.13Å; L818-Q820 VanDerWaalsContact C-N 3.31Å; L818-Q820 PolarHBondContact O-N 3.16Å; L818-W821 HydrophobicContact CD2-CE3 4.38Å; L818-W821 PolarHBondContact O-N 3.2Å; L818-F822 HydrophobicContact CB-CD2 4.31Å; L818-F822 HydrophobicContact CB-CE2 4.24Å; L818-F822 HydrophobicContact CD2-CE2 4.24Å; L818-F822 VanDerWaalsContact O-CB 3.25Å; L818-F822 WeakPolarHBondContact O-CB 3.38Å; L818-F822 WeakPolarHBondContact O-CD2 3.34Å; L818-F822 WeakPolarHBondContact O-CG 3.34Å; L818-F822 PolarHBondContact O-N 2.9Å; L818-I880 HydrophobicContact CD1-CG1 3.99Å; L818-S883 WeakPolarHBondContact CB-OG 3.34Å |
| 819 | S | 77.2 | Confident | 71.6 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 178.5 | -168.7 | 0 | 0 | 0 | 0 | 112 | K815 S816 F817 T823 | K815-S819 VanDerWaalsContact O-CB 3.23Å; K815-S819 WeakPolarHBondContact O-CB 3.31Å; K815-S819 PolarHBondContact O-N 2.98Å; S816-S819 PolarHBondContact O-N 3.23Å; F817-S819 VanDerWaalsContact C-N 3.3Å; F817-S819 PolarHBondContact O-N 3.14Å; S819-T823 WeakPolarHBondContact O-CB 3.43Å; S819-T823 PolarHBondContact O-N 3.13Å; S819-T823 VanDerWaalsContact O-N 3.11Å; S819-T823 PolarHBondContact O-OG1 3.42Å |
| 820 | Q | 76.7 | Confident | 72.2 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70 | -48.6 | 177.5 | -172.1 | 161 | -6.5 | 0 | 0 | 110.9 | I716 A717 N720 S816 F817 L818 F822 T823 E824 | I716-Q820 VanDerWaalsContact CB-NE2 3.29Å; A717-Q820 HydrophobicContact CB-CB 4.03Å; A717-Q820 HydrophobicContact CB-CG 3.96Å; N720-Q820 PolarHBondContact ND2-OE1 3.26Å; S816-Q820 WeakPolarHBondContact O-CB 3.39Å; S816-Q820 PolarHBondContact O-N 3.07Å; S816-Q820 VanDerWaalsContact O-N 3.1Å; F817-Q820 PolarHBondContact O-N 3.22Å; F817-Q820 VanDerWaalsContact O-N 3.14Å; L818-Q820 VanDerWaalsContact C-N 3.31Å; L818-Q820 PolarHBondContact O-N 3.16Å; Q820-F822 PolarHBondContact O-N 2.93Å; Q820-T823 CarbonylContact O-C 3.36Å; Q820-T823 WeakPolarHBondContact O-CA 3.37Å; Q820-T823 WeakPolarHBondContact O-CB 3.22Å; Q820-T823 PolarHBondContact O-N 3.19Å; Q820-E824 PolarHBondContact NE2-OE1 3.18Å; Q820-E824 VanDerWaalsContact NE2-OE1 3.14Å; Q820-E824 WeakPolarHBondContact O-CG 3.23Å; Q820-E824 PolarHBondContact O-N 3.15Å |
| 821 | W | 78.1 | Confident | 73 | Confident | 1.25 Ų | 1.25 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 178.9 | -175.3 | 72.8 | 0 | 0 | 0 | 112.4 | L708 A717 A764 I765 T768 F817 L818 T823 E824 H825 F835 | L708-W821 WeakPolarHBondContact O-CZ2 3.25Å; L708-W821 PolarHBondContact O-NE1 3.02Å; A717-W821 HydrophobicContact CB-CB 4.04Å; A764-W821 HydrophobicContact CB-CH2 4.26Å; A764-W821 HydrophobicContact CB-CZ2 4.29Å; I765-W821 HydrophobicContact CG1-CH2 4.14Å; I765-W821 HydrophobicContact CG1-CZ3 4.29Å; T768-W821 HydrophobicContact CG2-CD2 4.08Å; T768-W821 HydrophobicContact CG2-CE3 4.21Å; T768-W821 HydrophobicContact CG2-CG 4.47Å; T768-W821 HydrophobicContact CG2-CH2 4.28Å; T768-W821 HydrophobicContact CG2-CZ2 4.28Å; T768-W821 HydrophobicContact CG2-CZ3 4.35Å; T768-W821 VanDerWaalsContact OG1-CZ2 3.31Å; T768-W821 WeakPolarHBondContact OG1-CZ2 3.26Å; F817-W821 HydrophobicContact CD1-CB 4.31Å; F817-W821 HydrophobicContact CE1-CB 3.91Å; F817-W821 HydrophobicContact CE1-CD2 4.48Å; F817-W821 HydrophobicContact CE1-CG 4Å; F817-W821 HydrophobicContact CZ-CB 4.43Å; F817-W821 HydrophobicContact CZ-CG 4.41Å; F817-W821 VanDerWaalsContact O-CB 3.29Å; F817-W821 WeakPolarHBondContact O-CB 3.41Å; F817-W821 PolarHBondContact O-N 2.95Å; L818-W821 HydrophobicContact CD2-CE3 4.38Å; L818-W821 PolarHBondContact O-N 3.2Å; W821-T823 VanDerWaalsContact C-N 3.3Å; W821-T823 PolarHBondContact O-N 3.12Å; W821-E824 WeakPolarHBondContact O-CB 3.27Å; W821-E824 PolarHBondContact O-N 3.07Å; W821-H825 AromaticContact CD1-CD2 3.86Å; W821-H825 AromaticContact CD1-NE2 3.84Å; W821-H825 AromaticContact CD2-CD2 3.84Å; W821-H825 AromaticContact CE2-CD2 3.47Å; W821-H825 VanDerWaalsContact CE2-CD2 3.44Å; W821-H825 AromaticContact CE2-NE2 3.38Å; W821-H825 VanDerWaalsContact CE2-NE2 3.33Å; W821-H825 AromaticContact CZ2-CD2 3.79Å; W821-H825 AromaticContact CZ2-NE2 3.48Å; W821-H825 VanDerWaalsContact CZ2-NE2 3.35Å; W821-H825 WeakPolarHBondContact CZ2-NE2 3.35Å; W821-H825 AromaticContact NE1-CD2 3.54Å; W821-H825 PolarHBondContact NE1-CD2 3.07Å; W821-H825 AromaticContact NE1-NE2 3.28Å; W821-H825 PolarHBondContact NE1-NE2 3.16Å; W821-H825 WeakPolarHBondContact O-CB 3.34Å; W821-H825 PolarHBondContact O-CD2 3.28Å; W821-H825 PolarHBondContact O-N 3.27Å; W821-H825 VanDerWaalsContact O-N 3.16Å; W821-F835 AromaticContact CH2-CE2 3.98Å; W821-F835 HydrophobicContact CH2-CE2 4.17Å; W821-F835 AromaticContact CH2-CZ 3.7Å; W821-F835 HydrophobicContact CH2-CZ 3.7Å; W821-F835 HydrophobicContact CZ2-CZ 4.36Å; W821-F835 HydrophobicContact CZ3-CE1 4.48Å; W821-F835 HydrophobicContact CZ3-CE2 4.5Å; W821-F835 AromaticContact CZ3-CZ 3.74Å; W821-F835 HydrophobicContact CZ3-CZ 3.85Å |
| 822 | F | 80.2 | Confident | 73.8 | Confident | 2.75 Ų | 2.75 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | 172.4 | -76.8 | -55 | 0 | 0 | 0 | 112.4 | L818 Q820 H825 F826 F835 V839 I880 S883 A884 A887 | L818-F822 HydrophobicContact CB-CD2 4.31Å; L818-F822 HydrophobicContact CB-CE2 4.24Å; L818-F822 HydrophobicContact CD2-CE2 4.24Å; L818-F822 VanDerWaalsContact O-CB 3.25Å; L818-F822 WeakPolarHBondContact O-CB 3.38Å; L818-F822 WeakPolarHBondContact O-CD2 3.34Å; L818-F822 WeakPolarHBondContact O-CG 3.34Å; L818-F822 PolarHBondContact O-N 2.9Å; Q820-F822 PolarHBondContact O-N 2.93Å; F822-H825 PolarHBondContact O-N 3.14Å; F822-F826 HydrophobicContact CB-CD2 4.3Å; F822-F826 HydrophobicContact CB-CE2 3.91Å; F822-F826 HydrophobicContact CB-CZ 4.47Å; F822-F826 HydrophobicContact CD1-CE2 4.3Å; F822-F826 HydrophobicContact CD1-CZ 4.18Å; F822-F826 HydrophobicContact CG-CE2 4.4Å; F822-F826 WeakPolarHBondContact O-CB 3.34Å; F822-F826 WeakPolarHBondContact O-CD2 3.35Å; F822-F826 VanDerWaalsContact O-CG 3.25Å; F822-F826 WeakPolarHBondContact O-CG 3.42Å; F822-F826 PolarHBondContact O-N 3.16Å; F822-F835 AromaticContact CD1-CE1 3.91Å; F822-F835 HydrophobicContact CD1-CE1 3.94Å; F822-F835 HydrophobicContact CD1-CZ 4.38Å; F822-F835 AromaticContact CE1-CE1 3.95Å; F822-F835 HydrophobicContact CE1-CE1 4.2Å; F822-F835 HydrophobicContact CE1-CZ 4.33Å; F822-V839 HydrophobicContact CD1-CG2 4.46Å; F822-V839 HydrophobicContact CE1-CG1 4.3Å; F822-V839 HydrophobicContact CE1-CG2 3.84Å; F822-V839 HydrophobicContact CZ-CG2 4.47Å; F822-I880 HydrophobicContact CE2-CG2 4.21Å; F822-I880 HydrophobicContact CZ-CG2 4.3Å; F822-S883 WeakPolarHBondContact CD2-OG 3.48Å; F822-S883 WeakPolarHBondContact CE2-OG 3.14Å; F822-A884 HydrophobicContact CD1-CB 4.42Å; F822-A884 HydrophobicContact CD2-CB 4.06Å; F822-A884 HydrophobicContact CE1-CB 4.42Å; F822-A884 HydrophobicContact CE2-CB 4Å; F822-A884 HydrophobicContact CG-CB 4.35Å; F822-A884 HydrophobicContact CZ-CB 4.21Å; F822-A887 HydrophobicContact CB-CB 3.46Å; F822-A887 VanDerWaalsContact CB-CB 3.44Å |
| 823 | T | 77.8 | Confident | 74.5 | Confident | 34.25 Ų | 34.25 | 41.5 Ų | 41.5 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 178 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | S819 Q820 W821 F826 H827 A887 S892 | S819-T823 WeakPolarHBondContact O-CB 3.43Å; S819-T823 PolarHBondContact O-N 3.13Å; S819-T823 VanDerWaalsContact O-N 3.11Å; S819-T823 PolarHBondContact O-OG1 3.42Å; Q820-T823 CarbonylContact O-C 3.36Å; Q820-T823 WeakPolarHBondContact O-CA 3.37Å; Q820-T823 WeakPolarHBondContact O-CB 3.22Å; Q820-T823 PolarHBondContact O-N 3.19Å; W821-T823 VanDerWaalsContact C-N 3.3Å; W821-T823 PolarHBondContact O-N 3.12Å; T823-F826 PolarHBondContact O-N 2.96Å; T823-H827 VanDerWaalsContact O-CB 3.29Å; T823-H827 WeakPolarHBondContact O-CB 3.34Å; T823-H827 PolarHBondContact O-N 3.19Å; T823-A887 WeakPolarHBondContact OG1-CA 3.34Å; T823-A887 WeakPolarHBondContact OG1-CB 3.35Å; T823-S892 WeakPolarHBondContact CG2-OG 3.27Å |
| 824 | E | 76.4 | Confident | 75.1 | Confident | 45.5 Ų | 45.5 | 42.4 Ų | 42.4 | 21% | 0.213 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 174.6 | -70.7 | 170.1 | -171 | 0 | 0 | 110.8 | S715 I716 A717 Q820 W821 F826 H827 D828 | S715-E824 VanDerWaalsContact CA-OE2 3.29Å; S715-E824 WeakPolarHBondContact CA-OE2 3.23Å; S715-E824 WeakPolarHBondContact CB-OE2 3.32Å; S715-E824 PolarHBondContact OG-OE2 3.15Å; I716-E824 WeakPolarHBondContact CB-OE1 3.49Å; I716-E824 PolarHBondContact N-OE1 3.11Å; I716-E824 PolarHBondContact N-OE2 3.2Å; A717-E824 WeakPolarHBondContact CB-OE1 3.32Å; A717-E824 PolarHBondContact N-OE1 3.2Å; Q820-E824 PolarHBondContact NE2-OE1 3.18Å; Q820-E824 VanDerWaalsContact NE2-OE1 3.14Å; Q820-E824 WeakPolarHBondContact O-CG 3.23Å; Q820-E824 PolarHBondContact O-N 3.15Å; W821-E824 WeakPolarHBondContact O-CB 3.27Å; W821-E824 PolarHBondContact O-N 3.07Å; E824-F826 VanDerWaalsContact C-N 3.31Å; E824-F826 PolarHBondContact O-N 3.12Å; E824-H827 VanDerWaalsContact O-CB 3.27Å; E824-H827 WeakPolarHBondContact O-CB 3.44Å; E824-H827 PolarHBondContact O-N 3.46Å; E824-H827 VanDerWaalsContact O-N 3.14Å; E824-D828 PolarHBondContact O-N 3.45Å |
| 825 | H | 75.2 | Confident | 75.6 | Confident | 10.5 Ų | 10.5 | 41.6 Ų | 41.6 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | 178.1 | -83.3 | -80 | 0 | 0 | 0 | 114.1 | L708 G709 W821 F822 H827 D828 F835 | L708-H825 PolarHBondContact O-NE2 3.07Å; L708-H825 VanDerWaalsContact O-NE2 3.1Å; G709-H825 VanDerWaalsContact C-CE1 3.44Å; G709-H825 PolarHBondContact O-CE1 3.18Å; W821-H825 AromaticContact CD1-CD2 3.86Å; W821-H825 AromaticContact CD1-NE2 3.84Å; W821-H825 AromaticContact CD2-CD2 3.84Å; W821-H825 AromaticContact CE2-CD2 3.47Å; W821-H825 VanDerWaalsContact CE2-CD2 3.44Å; W821-H825 AromaticContact CE2-NE2 3.38Å; W821-H825 VanDerWaalsContact CE2-NE2 3.33Å; W821-H825 AromaticContact CZ2-CD2 3.79Å; W821-H825 AromaticContact CZ2-NE2 3.48Å; W821-H825 VanDerWaalsContact CZ2-NE2 3.35Å; W821-H825 WeakPolarHBondContact CZ2-NE2 3.35Å; W821-H825 AromaticContact NE1-CD2 3.54Å; W821-H825 PolarHBondContact NE1-CD2 3.07Å; W821-H825 AromaticContact NE1-NE2 3.28Å; W821-H825 PolarHBondContact NE1-NE2 3.16Å; W821-H825 WeakPolarHBondContact O-CB 3.34Å; W821-H825 PolarHBondContact O-CD2 3.28Å; W821-H825 PolarHBondContact O-N 3.27Å; W821-H825 VanDerWaalsContact O-N 3.16Å; F822-H825 PolarHBondContact O-N 3.14Å; H825-H827 VanDerWaalsContact C-N 3.29Å; H825-H827 PolarHBondContact O-N 3.21Å; H825-D828 PolarHBondContact O-N 3.17Å; H825-F835 HydrophobicContact CB-CD1 3.59Å; H825-F835 HydrophobicContact CB-CD2 4.43Å; H825-F835 HydrophobicContact CB-CE1 3.46Å; H825-F835 VanDerWaalsContact CB-CE1 3.46Å; H825-F835 HydrophobicContact CB-CE2 4.29Å; H825-F835 HydrophobicContact CB-CG 4.2Å; H825-F835 HydrophobicContact CB-CZ 3.99Å; H825-F835 AromaticContact CD2-CZ 3.77Å; H825-F835 AromaticContact CE1-CE2 3.72Å; H825-F835 AromaticContact CE1-CZ 3.96Å; H825-F835 AromaticContact CG-CD1 3.98Å; H825-F835 AromaticContact CG-CE1 3.82Å; H825-F835 AromaticContact CG-CZ 3.81Å; H825-F835 AromaticContact ND1-CD1 3.78Å; H825-F835 AromaticContact ND1-CD2 3.75Å; H825-F835 AromaticContact ND1-CE1 3.7Å; H825-F835 AromaticContact ND1-CE2 3.68Å; H825-F835 AromaticContact ND1-CG 3.71Å; H825-F835 AromaticContact ND1-CZ 3.56Å |
| 826 | F | 79.2 | Confident | 76.1 | Confident | 1.5 Ų | 1.5 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -80.6 | -4.7 | 174.4 | -61 | -34.7 | 0 | 0 | 0 | 113.7 | F822 T823 E824 F835 A836 V839 A887 L888 L894 V895 | F822-F826 HydrophobicContact CB-CD2 4.3Å; F822-F826 HydrophobicContact CB-CE2 3.91Å; F822-F826 HydrophobicContact CB-CZ 4.47Å; F822-F826 HydrophobicContact CD1-CE2 4.3Å; F822-F826 HydrophobicContact CD1-CZ 4.18Å; F822-F826 HydrophobicContact CG-CE2 4.4Å; F822-F826 WeakPolarHBondContact O-CB 3.34Å; F822-F826 WeakPolarHBondContact O-CD2 3.35Å; F822-F826 VanDerWaalsContact O-CG 3.25Å; F822-F826 WeakPolarHBondContact O-CG 3.42Å; F822-F826 PolarHBondContact O-N 3.16Å; T823-F826 PolarHBondContact O-N 2.96Å; E824-F826 VanDerWaalsContact C-N 3.31Å; E824-F826 PolarHBondContact O-N 3.12Å; F826-F835 AromaticContact CD1-CD1 3.94Å; F826-F835 HydrophobicContact CD1-CD1 4.12Å; F826-F835 HydrophobicContact CD1-CE1 4.49Å; F826-F835 AromaticContact CE1-CD1 3.66Å; F826-F835 HydrophobicContact CE1-CD1 3.66Å; F826-F835 HydrophobicContact CE1-CE1 4.14Å; F826-F835 HydrophobicContact CZ-CD1 4.42Å; F826-F835 HydrophobicContact CZ-CE1 4.43Å; F826-A836 HydrophobicContact CD1-CB 4.29Å; F826-A836 HydrophobicContact CE1-CB 3.77Å; F826-A836 HydrophobicContact CZ-CB 4.49Å; F826-V839 HydrophobicContact CZ-CG2 4.43Å; F826-A887 HydrophobicContact CD2-CB 3.72Å; F826-A887 HydrophobicContact CE2-CB 3.91Å; F826-L888 HydrophobicContact CD1-CD2 4.23Å; F826-L888 HydrophobicContact CD2-CD2 3.69Å; F826-L888 HydrophobicContact CD2-CG 3.96Å; F826-L888 HydrophobicContact CE1-CD2 4.13Å; F826-L888 HydrophobicContact CE2-CD1 4.41Å; F826-L888 HydrophobicContact CE2-CD2 3.59Å; F826-L888 HydrophobicContact CE2-CG 3.57Å; F826-L888 HydrophobicContact CG-CD2 4.04Å; F826-L888 HydrophobicContact CZ-CD1 4.47Å; F826-L888 HydrophobicContact CZ-CD2 3.83Å; F826-L888 HydrophobicContact CZ-CG 4.06Å; F826-L894 PolarHBondContact O-N 3.22Å; F826-V895 HydrophobicContact CB-CG2 4.24Å; F826-V895 HydrophobicContact CD1-CG2 3.96Å; F826-V895 HydrophobicContact CG-CG2 4.26Å |
| 827 | H | 76.4 | Confident | 76.5 | Confident | 91.75 Ų | 91.75 | 36.7 Ų | 36.7 | 43% | 0.425 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -90.1 | -19.7 | 173.2 | -166.6 | 58 | 0 | 0 | 0 | 112.7 | T823 E824 H825 K829 S892 L894 | T823-H827 VanDerWaalsContact O-CB 3.29Å; T823-H827 WeakPolarHBondContact O-CB 3.34Å; T823-H827 PolarHBondContact O-N 3.19Å; E824-H827 VanDerWaalsContact O-CB 3.27Å; E824-H827 WeakPolarHBondContact O-CB 3.44Å; E824-H827 PolarHBondContact O-N 3.46Å; E824-H827 VanDerWaalsContact O-N 3.14Å; H825-H827 VanDerWaalsContact C-N 3.29Å; H825-H827 PolarHBondContact O-N 3.21Å; H827-K829 PolarHBondContact O-N 3Å; H827-K829 VanDerWaalsContact O-N 3.13Å; H827-S892 PolarHBondContact ND1-O 2.97Å; H827-L894 WeakPolarHBondContact O-CD1 3.27Å |
| 828 | D | 72.4 | Confident | 76.6 | Confident | 25.25 Ų | 25.25 | 36.6 Ų | 36.6 | 14% | 0.135 | 20% | 0.195 | C | C | . | . | trans | -72.5 | 117.1 | 177.5 | -177 | 10.1 | 0 | 0 | 0 | 111 | T710 T711 E712 E824 H825 V830 T831 A832 | T710-D828 WeakPolarHBondContact CB-OD1 3.49Å; T710-D828 HydrophobicContact CG2-CB 4.22Å; T711-D828 WeakPolarHBondContact CG2-OD2 3.47Å; T711-D828 PolarHBondContact N-OD1 3.11Å; T711-D828 VanDerWaalsContact N-OD1 3.15Å; T711-D828 PolarHBondContact N-OD2 3.41Å; T711-D828 VanDerWaalsContact N-OD2 3.09Å; T711-D828 VanDerWaalsContact OG1-CG 3.3Å; T711-D828 PolarHBondContact OG1-OD1 3.05Å; T711-D828 PolarHBondContact OG1-OD2 3.24Å; E712-D828 PolarHBondContact N-OD1 3.11Å; E824-D828 PolarHBondContact O-N 3.45Å; H825-D828 PolarHBondContact O-N 3.17Å; D828-V830 PolarHBondContact O-N 3.36Å; D828-V830 VanDerWaalsContact O-N 3.11Å; D828-V830 PolarHBondContact OD1-N 2.94Å; D828-V830 PolarHBondContact OD2-N 3.04Å; D828-T831 VanDerWaalsContact CB-OG1 3.31Å; D828-T831 WeakPolarHBondContact CB-OG1 3.46Å; D828-T831 PolarHBondContact O-N 3.13Å; D828-T831 PolarHBondContact OD1-N 2.94Å; D828-T831 WeakPolarHBondContact OD2-CB 3.39Å; D828-T831 WeakPolarHBondContact OD2-CG2 3.3Å; D828-T831 PolarHBondContact OD2-N 3.25Å; D828-T831 PolarHBondContact OD2-OG1 3.3Å; D828-A832 WeakPolarHBondContact O-CA 3.2Å; D828-A832 WeakPolarHBondContact O-CB 3.28Å; D828-A832 PolarHBondContact O-N 3.31Å; D828-A832 VanDerWaalsContact O-N 3.14Å | ||
| 829 | K | 69.5 | Low | 76.8 | Confident | 160.5 Ų | 160.5 | 36.6 Ų | 36.6 | 70% | 0.698 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.4 | -177 | -117.4 | 178.6 | -174 | 153.7 | 0 | 113.9 | E712 H827 L894 | E712-K829 WeakPolarHBondContact OE1-CD 3.45Å; E712-K829 VanDerWaalsContact OE1-CG 3.23Å; E712-K829 WeakPolarHBondContact OE1-CG 3.34Å; E712-K829 IonicContact OE1-NZ 3.6Å; E712-K829 PolarHBondContact OE1-NZ 3.45Å; E712-K829 IonicContact OE2-NZ 2.6Å; E712-K829 PolarHBondContact OE2-NZ 2.9Å; H827-K829 PolarHBondContact O-N 3Å; H827-K829 VanDerWaalsContact O-N 3.13Å; K829-L894 HydrophobicContact CB-CD1 3.86Å; K829-L894 HydrophobicContact CG-CD1 3.97Å |
| 830 | V | 69.7 | Low | 76.9 | Confident | 87 Ų | 87 | 35.1 Ų | 35.1 | 53% | 0.527 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -39.3 | -172.9 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | I755 D828 | I755-V830 HydrophobicContact CD1-CG1 3.89Å; D828-V830 PolarHBondContact O-N 3.36Å; D828-V830 VanDerWaalsContact O-N 3.11Å; D828-V830 PolarHBondContact OD1-N 2.94Å; D828-V830 PolarHBondContact OD2-N 3.04Å |
| 831 | T | 72 | Confident | 76.8 | Confident | 15.5 Ų | 15.5 | 34.8 Ų | 34.8 | 10% | 0.095 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -14.6 | -172.9 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | T711 L758 D828 D833 S834 F835 | T711-T831 HydrophobicContact CG2-CG2 4.01Å; L758-T831 HydrophobicContact CD1-CG2 3.57Å; L758-T831 HydrophobicContact CD2-CG2 3.9Å; D828-T831 VanDerWaalsContact CB-OG1 3.31Å; D828-T831 WeakPolarHBondContact CB-OG1 3.46Å; D828-T831 PolarHBondContact O-N 3.13Å; D828-T831 PolarHBondContact OD1-N 2.94Å; D828-T831 WeakPolarHBondContact OD2-CB 3.39Å; D828-T831 WeakPolarHBondContact OD2-CG2 3.3Å; D828-T831 PolarHBondContact OD2-N 3.25Å; D828-T831 PolarHBondContact OD2-OG1 3.3Å; T831-D833 VanDerWaalsContact C-N 3.3Å; T831-D833 PolarHBondContact O-N 3.43Å; T831-D833 VanDerWaalsContact O-N 3.13Å; T831-S834 PolarHBondContact O-N 3.19Å; T831-S834 VanDerWaalsContact O-N 3.13Å; T831-S834 PolarHBondContact O-OG 2.91Å; T831-F835 VanDerWaalsContact O-CB 3.25Å; T831-F835 WeakPolarHBondContact O-CB 3.37Å; T831-F835 PolarHBondContact O-N 3.2Å |
| 832 | A | 77.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.4 | -43.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D828 F835 A836 V895 | D828-A832 WeakPolarHBondContact O-CA 3.2Å; D828-A832 WeakPolarHBondContact O-CB 3.28Å; D828-A832 PolarHBondContact O-N 3.31Å; D828-A832 VanDerWaalsContact O-N 3.14Å; A832-F835 PolarHBondContact O-N 3.11Å; A832-A836 VanDerWaalsContact O-CB 3.25Å; A832-A836 WeakPolarHBondContact O-CB 3.35Å; A832-A836 PolarHBondContact O-N 3.15Å; A832-V895 HydrophobicContact CB-CG2 3.97Å |
| 833 | D | 81.2 | Confident | 76.3 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.1 | -44.9 | -178.8 | -83 | 3.2 | 0 | 0 | 0 | 112.3 | T831 F835 A836 M837 V895 S896 I899 | T831-D833 VanDerWaalsContact C-N 3.3Å; T831-D833 PolarHBondContact O-N 3.43Å; T831-D833 VanDerWaalsContact O-N 3.13Å; D833-F835 VanDerWaalsContact C-N 3.32Å; D833-F835 PolarHBondContact O-N 3.37Å; D833-A836 PolarHBondContact O-N 3.16Å; D833-M837 PolarHBondContact O-N 3.07Å; D833-M837 VanDerWaalsContact O-N 3.15Å; D833-V895 VanDerWaalsContact OD1-CA 3.3Å; D833-V895 WeakPolarHBondContact OD1-CA 3.43Å; D833-V895 WeakPolarHBondContact OD1-CG1 3.29Å; D833-S896 PolarHBondContact OD1-N 3.11Å; D833-S896 PolarHBondContact OD1-OG 2.93Å; D833-S896 WeakPolarHBondContact OD2-CB 3.36Å; D833-S896 PolarHBondContact OD2-OG 3.08Å; D833-I899 HydrophobicContact CB-CD1 3.83Å |
| 834 | S | 74.9 | Confident | 76.1 | Confident | 78.25 Ų | 78.25 | 38.5 Ų | 38.5 | 55% | 0.547 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.5 | -0.2 | 0 | 0 | 0 | 0 | 111.5 | T831 G838 | T831-S834 PolarHBondContact O-N 3.19Å; T831-S834 VanDerWaalsContact O-N 3.13Å; T831-S834 PolarHBondContact O-OG 2.91Å; S834-G838 PolarHBondContact O-N 3.19Å |
| 835 | F | 79.1 | Confident | 75.6 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -42 | 176.9 | -172.6 | -98.9 | 0 | 0 | 0 | 111.8 | P761 A764 I765 W821 F822 H825 F826 T831 A832 D833 M837 G838 V839 | P761-F835 HydrophobicContact CB-CD2 3.77Å; P761-F835 HydrophobicContact CB-CE2 4.14Å; P761-F835 HydrophobicContact CG-CD2 4.02Å; A764-F835 HydrophobicContact CB-CE2 4.44Å; I765-F835 HydrophobicContact CG1-CE2 4.42Å; I765-F835 HydrophobicContact CG1-CZ 4.34Å; W821-F835 AromaticContact CH2-CE2 3.98Å; W821-F835 HydrophobicContact CH2-CE2 4.17Å; W821-F835 AromaticContact CH2-CZ 3.7Å; W821-F835 HydrophobicContact CH2-CZ 3.7Å; W821-F835 HydrophobicContact CZ2-CZ 4.36Å; W821-F835 HydrophobicContact CZ3-CE1 4.48Å; W821-F835 HydrophobicContact CZ3-CE2 4.5Å; W821-F835 AromaticContact CZ3-CZ 3.74Å; W821-F835 HydrophobicContact CZ3-CZ 3.85Å; F822-F835 AromaticContact CD1-CE1 3.91Å; F822-F835 HydrophobicContact CD1-CE1 3.94Å; F822-F835 HydrophobicContact CD1-CZ 4.38Å; F822-F835 AromaticContact CE1-CE1 3.95Å; F822-F835 HydrophobicContact CE1-CE1 4.2Å; F822-F835 HydrophobicContact CE1-CZ 4.33Å; H825-F835 HydrophobicContact CB-CD1 3.59Å; H825-F835 HydrophobicContact CB-CD2 4.43Å; H825-F835 HydrophobicContact CB-CE1 3.46Å; H825-F835 VanDerWaalsContact CB-CE1 3.46Å; H825-F835 HydrophobicContact CB-CE2 4.29Å; H825-F835 HydrophobicContact CB-CG 4.2Å; H825-F835 HydrophobicContact CB-CZ 3.99Å; H825-F835 AromaticContact CD2-CZ 3.77Å; H825-F835 AromaticContact CE1-CE2 3.72Å; H825-F835 AromaticContact CE1-CZ 3.96Å; H825-F835 AromaticContact CG-CD1 3.98Å; H825-F835 AromaticContact CG-CE1 3.82Å; H825-F835 AromaticContact CG-CZ 3.81Å; H825-F835 AromaticContact ND1-CD1 3.78Å; H825-F835 AromaticContact ND1-CD2 3.75Å; H825-F835 AromaticContact ND1-CE1 3.7Å; H825-F835 AromaticContact ND1-CE2 3.68Å; H825-F835 AromaticContact ND1-CG 3.71Å; H825-F835 AromaticContact ND1-CZ 3.56Å; F826-F835 AromaticContact CD1-CD1 3.94Å; F826-F835 HydrophobicContact CD1-CD1 4.12Å; F826-F835 HydrophobicContact CD1-CE1 4.49Å; F826-F835 AromaticContact CE1-CD1 3.66Å; F826-F835 HydrophobicContact CE1-CD1 3.66Å; F826-F835 HydrophobicContact CE1-CE1 4.14Å; F826-F835 HydrophobicContact CZ-CD1 4.42Å; F826-F835 HydrophobicContact CZ-CE1 4.43Å; T831-F835 VanDerWaalsContact O-CB 3.25Å; T831-F835 WeakPolarHBondContact O-CB 3.37Å; T831-F835 PolarHBondContact O-N 3.2Å; A832-F835 PolarHBondContact O-N 3.11Å; D833-F835 VanDerWaalsContact C-N 3.32Å; D833-F835 PolarHBondContact O-N 3.37Å; F835-M837 VanDerWaalsContact C-N 3.35Å; F835-M837 PolarHBondContact O-N 3.25Å; F835-G838 CarbonylContact O-C 3.59Å; F835-G838 WeakPolarHBondContact O-CA 3.35Å; F835-G838 PolarHBondContact O-N 3.26Å; F835-G838 VanDerWaalsContact O-N 3.14Å; F835-V839 HydrophobicContact CD1-CG2 4.15Å; F835-V839 HydrophobicContact CE1-CG2 3.82Å; F835-V839 HydrophobicContact CZ-CG2 4.17Å; F835-V839 WeakPolarHBondContact O-CG2 3.39Å; F835-V839 PolarHBondContact O-N 3.02Å |
| 836 | A | 81.3 | Confident | 74.9 | Confident | 0.25 Ų | 0.25 | 40.6 Ų | 40.6 | 0% | 0.002 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F826 A832 D833 V840 V895 I899 V903 | F826-A836 HydrophobicContact CD1-CB 4.29Å; F826-A836 HydrophobicContact CE1-CB 3.77Å; F826-A836 HydrophobicContact CZ-CB 4.49Å; A832-A836 VanDerWaalsContact O-CB 3.25Å; A832-A836 WeakPolarHBondContact O-CB 3.35Å; A832-A836 PolarHBondContact O-N 3.15Å; D833-A836 PolarHBondContact O-N 3.16Å; A836-V840 PolarHBondContact O-N 2.94Å; A836-V895 HydrophobicContact CB-CG1 4.18Å; A836-V895 HydrophobicContact CB-CG2 4.09Å; A836-I899 HydrophobicContact CB-CG2 4.48Å; A836-V903 HydrophobicContact CB-CG1 4.49Å; A836-V903 HydrophobicContact CB-CG2 4.1Å |
| 837 | M | 80.8 | Confident | 74.1 | Confident | 44.5 Ų | 44.5 | 41 Ų | 41 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 172.1 | -70.7 | -59.9 | -68 | 0 | 0 | 111.7 | D833 F835 V839 V840 D841 I899 V903 | D833-M837 PolarHBondContact O-N 3.07Å; D833-M837 VanDerWaalsContact O-N 3.15Å; F835-M837 VanDerWaalsContact C-N 3.35Å; F835-M837 PolarHBondContact O-N 3.25Å; M837-V839 VanDerWaalsContact C-N 3.31Å; M837-V839 PolarHBondContact O-N 3.3Å; M837-V840 WeakPolarHBondContact O-CB 3.3Å; M837-V840 PolarHBondContact O-N 3.02Å; M837-V840 VanDerWaalsContact O-N 3.11Å; M837-D841 VanDerWaalsContact O-CG 3.25Å; M837-D841 PolarHBondContact O-N 3.09Å; M837-I899 HydrophobicContact CG-CG2 3.91Å; M837-I899 HydrophobicContact SD-CG2 4.01Å; M837-V903 HydrophobicContact SD-CG2 3.79Å |
| 838 | G | 77.1 | Confident | 73.3 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.8 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N762 S834 F835 V840 D841 Y842 | N762-G838 PolarHBondContact OD1-O 2.78Å; S834-G838 PolarHBondContact O-N 3.19Å; F835-G838 CarbonylContact O-C 3.59Å; F835-G838 WeakPolarHBondContact O-CA 3.35Å; F835-G838 PolarHBondContact O-N 3.26Å; F835-G838 VanDerWaalsContact O-N 3.14Å; G838-V840 VanDerWaalsContact C-N 3.35Å; G838-V840 PolarHBondContact O-N 3.31Å; G838-D841 PolarHBondContact O-N 3.26Å; G838-Y842 VanDerWaalsContact O-CB 3.25Å; G838-Y842 WeakPolarHBondContact O-CB 3.42Å; G838-Y842 PolarHBondContact O-N 3.19Å |
| 839 | V | 79.6 | Confident | 72.4 | Confident | 3.25 Ų | 3.25 | 41 Ų | 41 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | I765 F822 F826 F835 M837 D841 Y842 L843 A884 | I765-V839 HydrophobicContact CD1-CB 4.41Å; I765-V839 HydrophobicContact CD1-CG2 3.82Å; F822-V839 HydrophobicContact CD1-CG2 4.46Å; F822-V839 HydrophobicContact CE1-CG1 4.3Å; F822-V839 HydrophobicContact CE1-CG2 3.84Å; F822-V839 HydrophobicContact CZ-CG2 4.47Å; F826-V839 HydrophobicContact CZ-CG2 4.43Å; F835-V839 HydrophobicContact CD1-CG2 4.15Å; F835-V839 HydrophobicContact CE1-CG2 3.82Å; F835-V839 HydrophobicContact CZ-CG2 4.17Å; F835-V839 WeakPolarHBondContact O-CG2 3.39Å; F835-V839 PolarHBondContact O-N 3.02Å; M837-V839 VanDerWaalsContact C-N 3.31Å; M837-V839 PolarHBondContact O-N 3.3Å; V839-D841 VanDerWaalsContact C-N 3.31Å; V839-Y842 PolarHBondContact O-N 2.98Å; V839-L843 HydrophobicContact CG1-CD1 4.07Å; V839-L843 HydrophobicContact CG1-CG 4.48Å; V839-L843 WeakPolarHBondContact O-CB 3.36Å; V839-L843 WeakPolarHBondContact O-CD1 3.39Å; V839-L843 VanDerWaalsContact O-CG 3.26Å; V839-L843 WeakPolarHBondContact O-CG 3.36Å; V839-L843 PolarHBondContact O-N 3.16Å; V839-A884 HydrophobicContact CG1-CB 4.34Å |
| 840 | V | 79.2 | Confident | 71.5 | Confident | 2.25 Ų | 2.25 | 35.9 Ų | 35.9 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 178 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | A836 M837 G838 L843 R844 V903 S906 L907 L910 | A836-V840 PolarHBondContact O-N 2.94Å; M837-V840 WeakPolarHBondContact O-CB 3.3Å; M837-V840 PolarHBondContact O-N 3.02Å; M837-V840 VanDerWaalsContact O-N 3.11Å; G838-V840 VanDerWaalsContact C-N 3.35Å; G838-V840 PolarHBondContact O-N 3.31Å; V840-L843 PolarHBondContact O-N 3.17Å; V840-R844 VanDerWaalsContact CG1-NH2 3.31Å; V840-R844 VanDerWaalsContact O-CB 3.27Å; V840-R844 WeakPolarHBondContact O-CB 3.29Å; V840-R844 PolarHBondContact O-N 3.24Å; V840-V903 HydrophobicContact CG2-CB 4.21Å; V840-V903 HydrophobicContact CG2-CG1 3.78Å; V840-V903 HydrophobicContact CG2-CG2 4.06Å; V840-S906 WeakPolarHBondContact CG1-OG 3.42Å; V840-S906 WeakPolarHBondContact CG2-OG 3.31Å; V840-L907 HydrophobicContact CG2-CD2 4.41Å; V840-L907 HydrophobicContact CG2-CG 4.37Å; V840-L910 HydrophobicContact CG1-CD1 4.34Å |
| 841 | D | 74.6 | Confident | 70.4 | Confident | 58.5 Ų | 58.5 | 34.6 Ų | 34.6 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.7 | -41.4 | -179.6 | -69.8 | -17.8 | 0 | 0 | 0 | 111.8 | M837 G838 V839 R844 A845 S981 | M837-D841 VanDerWaalsContact O-CG 3.25Å; M837-D841 PolarHBondContact O-N 3.09Å; G838-D841 PolarHBondContact O-N 3.26Å; V839-D841 VanDerWaalsContact C-N 3.31Å; D841-R844 PolarHBondContact O-N 3.17Å; D841-R844 IonicContact OD1-CZ 3.27Å; D841-R844 IonicContact OD1-NH1 3.27Å; D841-R844 PolarHBondContact OD1-NH1 3.27Å; D841-R844 IonicContact OD1-NH2 3.06Å; D841-R844 PolarHBondContact OD1-NH2 3.39Å; D841-A845 VanDerWaalsContact O-CB 3.23Å; D841-A845 WeakPolarHBondContact O-CB 3.39Å; D841-A845 PolarHBondContact O-N 3.12Å; D841-S981 VanDerWaalsContact OD1-CB 3.23Å; D841-S981 WeakPolarHBondContact OD1-CB 3.38Å; D841-S981 WeakPolarHBondContact OD2-CB 3.28Å; D841-S981 PolarHBondContact OD2-OG 3.08Å |
| 842 | Y | 74 | Confident | 68.9 | Low | 4.5 Ų | 4.5 | 37.7 Ų | 37.7 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -52.9 | 171.7 | 176.6 | -97.2 | 0 | 0 | 0 | 111.4 | N762 I765 D766 L769 G838 V839 R844 A845 H846 Y847 | N762-Y842 HydrophobicContact CB-CD2 4.19Å; N762-Y842 PolarHBondContact OD1-N 3.39Å; I765-Y842 HydrophobicContact CB-CD1 4.46Å; I765-Y842 HydrophobicContact CB-CD2 4.44Å; I765-Y842 HydrophobicContact CB-CE1 4.42Å; I765-Y842 HydrophobicContact CB-CE2 4.44Å; I765-Y842 HydrophobicContact CB-CG 4.45Å; I765-Y842 HydrophobicContact CD1-CD1 4.23Å; I765-Y842 HydrophobicContact CD1-CG 4Å; I765-Y842 HydrophobicContact CG2-CD1 3.73Å; I765-Y842 HydrophobicContact CG2-CD2 4.41Å; I765-Y842 HydrophobicContact CG2-CE1 3.48Å; I765-Y842 VanDerWaalsContact CG2-CE1 3.46Å; I765-Y842 HydrophobicContact CG2-CE2 4.18Å; I765-Y842 HydrophobicContact CG2-CG 4.2Å; D766-Y842 VanDerWaalsContact OD1-CE2 3.25Å; D766-Y842 WeakPolarHBondContact OD1-CE2 3.28Å; D766-Y842 VanDerWaalsContact OD1-CZ 3.27Å; D766-Y842 PolarHBondContact OD1-OH 3.33Å; L769-Y842 HydrophobicContact CD1-CE1 4.28Å; L769-Y842 WeakPolarHBondContact CD1-OH 3.48Å; G838-Y842 VanDerWaalsContact O-CB 3.25Å; G838-Y842 WeakPolarHBondContact O-CB 3.42Å; G838-Y842 PolarHBondContact O-N 3.19Å; V839-Y842 PolarHBondContact O-N 2.98Å; Y842-R844 VanDerWaalsContact C-N 3.33Å; Y842-R844 PolarHBondContact O-N 3.34Å; Y842-A845 PolarHBondContact O-N 3.11Å; Y842-H846 AromaticContact CD2-CD2 3.92Å; Y842-H846 AromaticContact CE2-CD2 3.72Å; Y842-H846 VanDerWaalsContact CE2-CD2 3.47Å; Y842-H846 WeakPolarHBondContact CE2-CD2 3.33Å; Y842-H846 AromaticContact CE2-CE1 3.58Å; Y842-H846 AromaticContact CE2-CG 3.88Å; Y842-H846 AromaticContact CE2-ND1 3.68Å; Y842-H846 AromaticContact CE2-NE2 3.66Å; Y842-H846 WeakPolarHBondContact CE2-NE2 3.34Å; Y842-H846 AromaticContact CZ-CD2 3.98Å; Y842-H846 AromaticContact CZ-CE1 3.72Å; Y842-H846 AromaticContact CZ-CG 3.97Å; Y842-H846 AromaticContact CZ-ND1 3.76Å; Y842-H846 AromaticContact CZ-NE2 3.92Å; Y842-H846 WeakPolarHBondContact O-CB 3.31Å; Y842-H846 PolarHBondContact O-CD2 2.96Å; Y842-H846 PolarHBondContact O-N 3.01Å; Y842-H846 PolarHBondContact OH-CE1 3.32Å; Y842-H846 PolarHBondContact OH-ND1 3.42Å; Y842-Y847 HydrophobicContact CE1-CE2 4.05Å |
| 843 | L | 75.2 | Confident | 66.9 | Low | 1.25 Ų | 1.25 | 42.4 Ų | 42.4 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 179.8 | -68.9 | 173.2 | 0 | 0 | 0 | 112 | V839 V840 Y847 L877 I880 I881 L907 L910 | V839-L843 HydrophobicContact CG1-CD1 4.07Å; V839-L843 HydrophobicContact CG1-CG 4.48Å; V839-L843 WeakPolarHBondContact O-CB 3.36Å; V839-L843 WeakPolarHBondContact O-CD1 3.39Å; V839-L843 VanDerWaalsContact O-CG 3.26Å; V839-L843 WeakPolarHBondContact O-CG 3.36Å; V839-L843 PolarHBondContact O-N 3.16Å; V840-L843 PolarHBondContact O-N 3.17Å; L843-Y847 HydrophobicContact CB-CD2 4.27Å; L843-Y847 HydrophobicContact CD2-CD2 3.77Å; L843-Y847 HydrophobicContact CD2-CE2 3.67Å; L843-Y847 WeakPolarHBondContact O-CB 3.41Å; L843-Y847 WeakPolarHBondContact O-CD2 3.21Å; L843-Y847 PolarHBondContact O-N 3.14Å; L843-Y847 VanDerWaalsContact O-N 3.13Å; L843-L877 HydrophobicContact CD2-CD1 3.97Å; L843-L877 VanDerWaalsContact CD2-CD1 3.42Å; L843-L877 HydrophobicContact CD2-CG 4.38Å; L843-I880 HydrophobicContact CD2-CB 4.45Å; L843-I880 HydrophobicContact CD2-CG2 4.14Å; L843-I881 HydrophobicContact CD1-CG1 4.04Å; L843-I881 HydrophobicContact CD2-CG1 4.04Å; L843-L907 HydrophobicContact CD1-CD2 3.49Å; L843-L910 HydrophobicContact CB-CD1 3.79Å; L843-L910 HydrophobicContact CD1-CD1 4.48Å |
| 844 | R | 72 | Confident | 64.6 | Low | 110.5 Ų | 110.5 | 47 Ų | 47 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 176.7 | -166.7 | -173.8 | -59.3 | 119.4 | -0.2 | 111.2 | V840 D841 Y842 S848 L980 | V840-R844 VanDerWaalsContact CG1-NH2 3.31Å; V840-R844 VanDerWaalsContact O-CB 3.27Å; V840-R844 WeakPolarHBondContact O-CB 3.29Å; V840-R844 PolarHBondContact O-N 3.24Å; D841-R844 PolarHBondContact O-N 3.17Å; D841-R844 IonicContact OD1-CZ 3.27Å; D841-R844 IonicContact OD1-NH1 3.27Å; D841-R844 PolarHBondContact OD1-NH1 3.27Å; D841-R844 IonicContact OD1-NH2 3.06Å; D841-R844 PolarHBondContact OD1-NH2 3.39Å; Y842-R844 VanDerWaalsContact C-N 3.33Å; Y842-R844 PolarHBondContact O-N 3.34Å; R844-S848 WeakPolarHBondContact O-CB 3.38Å; R844-S848 PolarHBondContact O-N 3.15Å; R844-S848 PolarHBondContact O-OG 3.15Å; R844-L980 PolarHBondContact NH1-O 3.42Å |
| 845 | A | 66 | Low | 62.5 | Low | 61.25 Ų | 61.25 | 49.5 Ų | 49.5 | 51% | 0.506 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D841 Y842 S848 | D841-A845 VanDerWaalsContact O-CB 3.23Å; D841-A845 WeakPolarHBondContact O-CB 3.39Å; D841-A845 PolarHBondContact O-N 3.12Å; Y842-A845 PolarHBondContact O-N 3.11Å; A845-S848 PolarHBondContact O-OG 3.02Å |
| 846 | H | 61.1 | Low | 60.2 | Low | 38.75 Ų | 38.75 | 54.9 Ų | 54.9 | 18% | 0.179 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -81.5 | -34.2 | -176.4 | -81.3 | -119.4 | 0 | 0 | 0 | 113.4 | D766 Y842 S848 S849 K862 P872 | D766-H846 IonicContact OD1-CE1 3.63Å; D766-H846 IonicContact OD2-CE1 3.33Å; Y842-H846 AromaticContact CD2-CD2 3.92Å; Y842-H846 AromaticContact CE2-CD2 3.72Å; Y842-H846 VanDerWaalsContact CE2-CD2 3.47Å; Y842-H846 WeakPolarHBondContact CE2-CD2 3.33Å; Y842-H846 AromaticContact CE2-CE1 3.58Å; Y842-H846 AromaticContact CE2-CG 3.88Å; Y842-H846 AromaticContact CE2-ND1 3.68Å; Y842-H846 AromaticContact CE2-NE2 3.66Å; Y842-H846 WeakPolarHBondContact CE2-NE2 3.34Å; Y842-H846 AromaticContact CZ-CD2 3.98Å; Y842-H846 AromaticContact CZ-CE1 3.72Å; Y842-H846 AromaticContact CZ-CG 3.97Å; Y842-H846 AromaticContact CZ-ND1 3.76Å; Y842-H846 AromaticContact CZ-NE2 3.92Å; Y842-H846 WeakPolarHBondContact O-CB 3.31Å; Y842-H846 PolarHBondContact O-CD2 2.96Å; Y842-H846 PolarHBondContact O-N 3.01Å; Y842-H846 PolarHBondContact OH-CE1 3.32Å; Y842-H846 PolarHBondContact OH-ND1 3.42Å; H846-S848 VanDerWaalsContact C-N 3.27Å; H846-S848 PolarHBondContact O-N 2.85Å; H846-S849 PolarHBondContact O-N 2.94Å; H846-S849 PolarHBondContact O-OG 3.29Å; H846-K862 PolarHBondContact CD2-NZ 3.1Å; H846-K862 VanDerWaalsContact CD2-NZ 3.28Å; H846-K862 PolarHBondContact CE1-NZ 2.78Å; H846-K862 VanDerWaalsContact CG-NZ 3.3Å; H846-K862 PolarHBondContact ND1-NZ 2.93Å; H846-K862 VanDerWaalsContact ND1-NZ 3.14Å; H846-K862 PolarHBondContact NE2-NZ 3.22Å; H846-P872 HydrophobicContact CB-CG 4.08Å |
| 847 | Y | 62.8 | Low | 57.8 | Low | 10.25 Ų | 10.25 | 62.9 Ų | 62.9 | 4% | 0.04 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -103.1 | -4.1 | -173.5 | -72.4 | -70.7 | 0 | 0 | 0 | 114.5 | Y842 L843 S849 H850 V851 P872 L877 L910 L913 V914 | Y842-Y847 HydrophobicContact CE1-CE2 4.05Å; L843-Y847 HydrophobicContact CB-CD2 4.27Å; L843-Y847 HydrophobicContact CD2-CD2 3.77Å; L843-Y847 HydrophobicContact CD2-CE2 3.67Å; L843-Y847 WeakPolarHBondContact O-CB 3.41Å; L843-Y847 WeakPolarHBondContact O-CD2 3.21Å; L843-Y847 PolarHBondContact O-N 3.14Å; L843-Y847 VanDerWaalsContact O-N 3.13Å; Y847-S849 VanDerWaalsContact C-N 3.28Å; Y847-S849 PolarHBondContact O-N 3.22Å; Y847-S849 VanDerWaalsContact O-N 3.11Å; Y847-H850 PolarHBondContact O-N 3.23Å; Y847-V851 HydrophobicContact CD1-CG2 3.81Å; Y847-V851 HydrophobicContact CE1-CG2 3.21Å; Y847-V851 HydrophobicContact CE2-CG2 4.35Å; Y847-V851 PolarHBondContact O-N 3.32Å; Y847-P872 HydrophobicContact CD1-CG 3.89Å; Y847-P872 HydrophobicContact CE1-CB 4.43Å; Y847-P872 VanDerWaalsContact CE1-CD 3.4Å; Y847-P872 HydrophobicContact CE1-CG 3.32Å; Y847-L877 HydrophobicContact CD1-CD1 4.47Å; Y847-L877 HydrophobicContact CD1-CD2 4.14Å; Y847-L877 HydrophobicContact CD2-CD1 3.47Å; Y847-L877 VanDerWaalsContact CD2-CD1 3.47Å; Y847-L877 HydrophobicContact CD2-CD2 4Å; Y847-L877 HydrophobicContact CE1-CD1 4.37Å; Y847-L877 HydrophobicContact CE2-CD1 3.65Å; Y847-L877 VanDerWaalsContact CE2-CD1 3.4Å; Y847-L877 HydrophobicContact CG-CD1 3.9Å; Y847-L877 HydrophobicContact CG-CD2 4.32Å; Y847-L910 HydrophobicContact CD1-CD2 4.23Å; Y847-L910 HydrophobicContact CG-CD2 4.3Å; Y847-L913 HydrophobicContact CE1-CB 3.73Å; Y847-L913 HydrophobicContact CE1-CD1 4.03Å; Y847-L913 HydrophobicContact CE1-CD2 4.45Å; Y847-L913 HydrophobicContact CE1-CG 4.3Å; Y847-L913 PolarHBondContact OH-O 2.66Å; Y847-V914 HydrophobicContact CD2-CG2 3.85Å; Y847-V914 HydrophobicContact CE2-CG2 3.75Å |
| 848 | S | 60 | Low | 55.6 | Low | 52 Ų | 52 | 66.4 Ų | 66.4 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -57.4 | -33.3 | 174.3 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | R844 A845 H846 H850 V851 T852 | R844-S848 WeakPolarHBondContact O-CB 3.38Å; R844-S848 PolarHBondContact O-N 3.15Å; R844-S848 PolarHBondContact O-OG 3.15Å; A845-S848 PolarHBondContact O-OG 3.02Å; H846-S848 VanDerWaalsContact C-N 3.27Å; H846-S848 PolarHBondContact O-N 2.85Å; S848-H850 VanDerWaalsContact C-N 3.3Å; S848-H850 PolarHBondContact O-N 3.11Å; S848-V851 WeakPolarHBondContact O-CA 3.48Å; S848-V851 VanDerWaalsContact O-CB 3.29Å; S848-V851 WeakPolarHBondContact O-CB 3.43Å; S848-V851 PolarHBondContact O-N 3.19Å; S848-V851 VanDerWaalsContact O-N 3.14Å; S848-T852 PolarHBondContact O-N 3.35Å; S848-T852 VanDerWaalsContact O-N 3.08Å; S848-T852 PolarHBondContact O-OG1 3.24Å |
| 849 | S | 52.8 | Low | 53.5 | Low | 65.5 Ų | 65.5 | 71.3 Ų | 71.3 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.4 | -23.2 | 177.7 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | H846 Y847 V851 | H846-S849 PolarHBondContact O-N 2.94Å; H846-S849 PolarHBondContact O-OG 3.29Å; Y847-S849 VanDerWaalsContact C-N 3.28Å; Y847-S849 PolarHBondContact O-N 3.22Å; Y847-S849 VanDerWaalsContact O-N 3.11Å; S849-V851 VanDerWaalsContact C-N 3.28Å; S849-V851 PolarHBondContact O-N 2.99Å |
| 850 | H | 49.7 | Very low | 51.3 | Low | 53 Ų | 53 | 80.5 Ų | 80.5 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -82.2 | -11.6 | 175 | -76.4 | -85.7 | 0 | 0 | 0 | 113.2 | Y847 S848 R870 P872 S917 R921 | Y847-H850 PolarHBondContact O-N 3.23Å; S848-H850 VanDerWaalsContact C-N 3.3Å; S848-H850 PolarHBondContact O-N 3.11Å; H850-R870 PolarHBondContact NE2-O 2.7Å; H850-R870 VanDerWaalsContact NE2-O 3.17Å; H850-P872 PolarHBondContact CE1-O 3.3Å; H850-P872 PolarHBondContact NE2-O 2.78Å; H850-P872 VanDerWaalsContact NE2-O 3.17Å; H850-S917 PolarHBondContact ND1-OG 3.02Å; H850-R921 PolarHBondContact CE1-NH2 3.28Å; H850-R921 PolarHBondContact O-NH2 3.05Å |
| 851 | V | 46.9 | Very low | 49.4 | Very low | 59 Ų | 59 | 85.1 Ų | 85.1 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -96.2 | -33.5 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | Y847 S848 S849 A853 L913 | Y847-V851 HydrophobicContact CD1-CG2 3.81Å; Y847-V851 HydrophobicContact CE1-CG2 3.21Å; Y847-V851 HydrophobicContact CE2-CG2 4.35Å; Y847-V851 PolarHBondContact O-N 3.32Å; S848-V851 WeakPolarHBondContact O-CA 3.48Å; S848-V851 VanDerWaalsContact O-CB 3.29Å; S848-V851 WeakPolarHBondContact O-CB 3.43Å; S848-V851 PolarHBondContact O-N 3.19Å; S848-V851 VanDerWaalsContact O-N 3.14Å; S849-V851 VanDerWaalsContact C-N 3.28Å; S849-V851 PolarHBondContact O-N 2.99Å; V851-A853 PolarHBondContact O-N 3.08Å; V851-L913 HydrophobicContact CB-CD2 3.49Å; V851-L913 VanDerWaalsContact CB-CD2 3.49Å; V851-L913 HydrophobicContact CB-CG 4.28Å; V851-L913 HydrophobicContact CG1-CB 4.08Å; V851-L913 HydrophobicContact CG1-CD1 4.17Å; V851-L913 HydrophobicContact CG1-CD2 3.4Å; V851-L913 HydrophobicContact CG1-CG 3.68Å; V851-L913 HydrophobicContact CG2-CB 4.2Å; V851-L913 HydrophobicContact CG2-CD1 4.21Å; V851-L913 HydrophobicContact CG2-CD2 3.26Å; V851-L913 HydrophobicContact CG2-CG 4.41Å |
| 852 | T | 40.7 | Very low | 48 | Very low | 79.75 Ų | 79.75 | 86.2 Ų | 86.2 | 49% | 0.489 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -101.3 | 116.6 | 176.4 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | S848 N854 I977 | S848-T852 PolarHBondContact O-N 3.35Å; S848-T852 VanDerWaalsContact O-N 3.08Å; S848-T852 PolarHBondContact O-OG1 3.24Å; T852-N854 PolarHBondContact O-N 2.98Å; T852-N854 VanDerWaalsContact O-N 3.12Å; T852-I977 HydrophobicContact CG2-CD1 4.48Å |
| 853 | A | 36.2 | Very low | 46.5 | Very low | 101 Ų | 101 | 90.2 Ų | 90.2 | 84% | 0.835 | 49% | 0.488 | S | S | * | . | trans | -72.6 | 27.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V851 | V851-A853 PolarHBondContact O-N 3.08Š| ||
| 854 | N | 32.8 | Very low | 45.1 | Very low | 145.25 Ų | 145.25 | 91.8 Ų | 91.8 | 78% | 0.777 | 50% | 0.501 | S | S | * | . | trans | -110.1 | 102.1 | 175.9 | -81.1 | 8.7 | 0 | 0 | 0 | 110.3 | T852 T856 | T852-N854 PolarHBondContact O-N 2.98Å; T852-N854 VanDerWaalsContact O-N 3.12Å; N854-T856 PolarHBondContact O-N 2.92Å; N854-T856 VanDerWaalsContact O-N 3.09Å | ||
| 855 | T | 29.9 | Very low | 44.2 | Very low | 130.75 Ų | 130.75 | 87.2 Ų | 87.2 | 80% | 0.802 | 49% | 0.485 | S | S | * | . | trans | -67.5 | 127.3 | 169.8 | 43 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 856 | T | 30.7 | Very low | 43.5 | Very low | 121.75 Ų | 121.75 | 85.6 Ų | 85.6 | 75% | 0.747 | 47% | 0.469 | S | S | * | . | trans | -161.8 | 75.2 | 145 | 39.2 | 0 | 0 | 0 | 0 | 112.5 | N854 I858 | N854-T856 PolarHBondContact O-N 2.92Å; N854-T856 VanDerWaalsContact O-N 3.09Å; T856-I858 PolarHBondContact O-N 2.94Å | ||
| 857 | F | 31 | Very low | 43.1 | Very low | 168 Ų | 168 | 89.9 Ų | 89.9 | 74% | 0.737 | 49% | 0.491 | S | S | * | . | trans | -127.1 | 98.1 | 157.1 | -94.5 | -86.3 | 0 | 0 | 0 | 109.9 | L859 N973 L974 | F857-L859 PolarHBondContact O-N 3.06Å; F857-N973 WeakPolarHBondContact CE2-O 3.45Å; F857-L974 WeakPolarHBondContact CB-O 3.32Å; F857-L974 HydrophobicContact CD2-CB 4.4Å; F857-L974 WeakPolarHBondContact CD2-O 3.48Å; F857-L974 VanDerWaalsContact CG-O 3.26Å; F857-L974 WeakPolarHBondContact CG-O 3.3Å | ||
| 858 | I | 34.5 | Very low | 42.6 | Very low | 118.25 Ų | 118.25 | 94.5 Ų | 94.5 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | trans | -76.6 | 114.8 | 165.7 | -60.7 | 167.8 | 0 | 0 | 0 | 105.9 | T856 R860 K862 L863 R870 | T856-I858 PolarHBondContact O-N 2.94Å; I858-R860 PolarHBondContact O-N 3.12Å; I858-K862 HydrophobicContact CG2-CB 3.91Å; I858-L863 HydrophobicContact CB-CD1 4.46Å; I858-L863 HydrophobicContact CG2-CD1 3.95Å; I858-R870 HydrophobicContact CG1-CG 4.43Å; I858-R870 HydrophobicContact CG2-CG 4.25Å | ||
| 859 | L | 34.8 | Very low | 42.4 | Very low | 113.25 Ų | 113.25 | 92.3 Ų | 92.3 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | trans | -57.6 | 120.1 | 172.7 | -119.3 | 93.9 | 0 | 0 | 0 | 108.4 | F857 N861 K862 L863 | F857-L859 PolarHBondContact O-N 3.06Å; L859-N861 HydrophobicContact CD2-CB 4.5Å; L859-N861 PolarHBondContact O-N 3.03Å; L859-K862 HydrophobicContact CB-CB 4.4Å; L859-K862 HydrophobicContact CB-CG 4.19Å; L859-K862 CarbonylContact O-C 3.58Å; L859-K862 WeakPolarHBondContact O-CA 3.42Å; L859-K862 WeakPolarHBondContact O-CB 3.19Å; L859-K862 PolarHBondContact O-N 3.12Å; L859-L863 PolarHBondContact O-N 3.17Å | ||
| 860 | R | 32.2 | Very low | 42.5 | Very low | 196.25 Ų | 196.25 | 93.2 Ų | 93.2 | 74% | 0.741 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -73.9 | -9.9 | -179.8 | -154.3 | 173.9 | -172.2 | 163.4 | -1.6 | 112.2 | I858 K862 L863 | I858-R860 PolarHBondContact O-N 3.12Å; R860-K862 PolarHBondContact O-N 3.13Å; R860-K862 VanDerWaalsContact O-N 3.12Å; R860-L863 HydrophobicContact CG-CD1 4.39Å; R860-L863 WeakPolarHBondContact O-CB 2.98Å; R860-L863 WeakPolarHBondContact O-CD1 3.22Å; R860-L863 PolarHBondContact O-N 3.18Å |
| 861 | N | 38.9 | Very low | 42.7 | Very low | 97.75 Ų | 97.75 | 94.5 Ų | 94.5 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -58.1 | 15.6 | 179.2 | -60.2 | 13.9 | 0 | 0 | 0 | 115.3 | S658 L859 L863 | S658-N861 WeakPolarHBondContact CB-OD1 3.2Å; L859-N861 HydrophobicContact CD2-CB 4.5Å; L859-N861 PolarHBondContact O-N 3.03Å; N861-L863 PolarHBondContact O-N 3.26Å |
| 862 | K | 45.2 | Very low | 43.4 | Very low | 81.5 Ų | 81.5 | 92.3 Ų | 92.3 | 35% | 0.354 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -99.3 | 26.2 | 171.1 | -65.1 | -165.5 | 176 | -160.3 | 0 | 115.7 | H846 I858 L859 R860 A864 L865 R870 | H846-K862 PolarHBondContact CD2-NZ 3.1Å; H846-K862 VanDerWaalsContact CD2-NZ 3.28Å; H846-K862 PolarHBondContact CE1-NZ 2.78Å; H846-K862 VanDerWaalsContact CG-NZ 3.3Å; H846-K862 PolarHBondContact ND1-NZ 2.93Å; H846-K862 VanDerWaalsContact ND1-NZ 3.14Å; H846-K862 PolarHBondContact NE2-NZ 3.22Å; I858-K862 HydrophobicContact CG2-CB 3.91Å; L859-K862 HydrophobicContact CB-CB 4.4Å; L859-K862 HydrophobicContact CB-CG 4.19Å; L859-K862 CarbonylContact O-C 3.58Å; L859-K862 WeakPolarHBondContact O-CA 3.42Å; L859-K862 WeakPolarHBondContact O-CB 3.19Å; L859-K862 PolarHBondContact O-N 3.12Å; R860-K862 PolarHBondContact O-N 3.13Å; R860-K862 VanDerWaalsContact O-N 3.12Å; K862-A864 VanDerWaalsContact C-N 3.28Å; K862-A864 PolarHBondContact O-N 3.41Å; K862-L865 HydrophobicContact CB-CD1 4.2Å; K862-L865 HydrophobicContact CG-CD1 4.43Å; K862-L865 PolarHBondContact O-N 3.4Å; K862-R870 VanDerWaalsContact C-NH2 3.26Å; K862-R870 PolarHBondContact O-NE 2.72Å; K862-R870 VanDerWaalsContact O-NE 3.12Å; K862-R870 PolarHBondContact O-NH2 3.38Å |
| 863 | L | 42.3 | Very low | 44.5 | Very low | 88.5 Ų | 88.5 | 91.5 Ų | 91.5 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.3 | 166.1 | -94.3 | 88.3 | 0 | 0 | 0 | 111.6 | M656 I858 L859 R860 N861 L865 R870 | M656-L863 WeakPolarHBondContact CE-O 3.46Å; M656-L863 HydrophobicContact SD-CB 3.95Å; M656-L863 HydrophobicContact SD-CD2 4.17Å; M656-L863 HydrophobicContact SD-CG 4.41Å; I858-L863 HydrophobicContact CB-CD1 4.46Å; I858-L863 HydrophobicContact CG2-CD1 3.95Å; L859-L863 PolarHBondContact O-N 3.17Å; R860-L863 HydrophobicContact CG-CD1 4.39Å; R860-L863 WeakPolarHBondContact O-CB 2.98Å; R860-L863 WeakPolarHBondContact O-CD1 3.22Å; R860-L863 PolarHBondContact O-N 3.18Å; N861-L863 PolarHBondContact O-N 3.26Å; L863-L865 VanDerWaalsContact C-N 3.32Å; L863-L865 PolarHBondContact O-N 2.82Å; L863-R870 VanDerWaalsContact CD1-NH2 3.3Å; L863-R870 PolarHBondContact O-NH2 3.21Å |
| 864 | A | 47.3 | Very low | 46 | Very low | 35.5 Ų | 35.5 | 89.7 Ų | 89.7 | 29% | 0.293 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -2.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A652 L654 M655 F683 K862 | A652-A864 HydrophobicContact CB-CB 3.41Å; A652-A864 VanDerWaalsContact CB-CB 3.41Å; L654-A864 HydrophobicContact CB-CB 4.41Å; L654-A864 HydrophobicContact CD2-CB 4.39Å; L654-A864 WeakPolarHBondContact O-CB 3.23Å; M655-A864 HydrophobicContact CE-CB 4.41Å; M655-A864 WeakPolarHBondContact CE-O 3.39Å; M655-A864 VanDerWaalsContact SD-O 3.41Å; F683-A864 HydrophobicContact CD2-CB 3.69Å; F683-A864 HydrophobicContact CE2-CB 3.65Å; F683-A864 PolarHBondContact N-O 3.21Å; K862-A864 VanDerWaalsContact C-N 3.28Å; K862-A864 PolarHBondContact O-N 3.41Å |
| 865 | L | 52 | Low | 47.6 | Very low | 14.5 Ų | 14.5 | 85.4 Ų | 85.4 | 8% | 0.076 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -73.8 | 140.6 | 175 | -75 | 127.6 | 0 | 0 | 0 | 110.4 | M655 F683 D766 V770 K862 L863 L869 R870 | M655-L865 HydrophobicContact CE-CD1 3.59Å; M655-L865 HydrophobicContact CE-CG 4.18Å; M655-L865 HydrophobicContact SD-CD1 4.38Å; F683-L865 HydrophobicContact CD2-CG 4.38Å; D766-L865 HydrophobicContact CB-CD2 4.18Å; D766-L865 WeakPolarHBondContact OD1-CD1 3.38Å; D766-L865 WeakPolarHBondContact OD1-CD2 3.47Å; V770-L865 HydrophobicContact CG2-CD2 4.16Å; K862-L865 HydrophobicContact CB-CD1 4.2Å; K862-L865 HydrophobicContact CG-CD1 4.43Å; K862-L865 PolarHBondContact O-N 3.4Å; L863-L865 VanDerWaalsContact C-N 3.32Å; L863-L865 PolarHBondContact O-N 2.82Å; L865-L869 HydrophobicContact CB-CB 4.08Å; L865-L869 HydrophobicContact CD2-CB 4.03Å; L865-L869 HydrophobicContact CD2-CD1 4.08Å; L865-L869 HydrophobicContact CD2-CD2 4.49Å; L865-L869 HydrophobicContact CD2-CG 4.42Å; L865-R870 HydrophobicContact CB-CG 4.24Å; L865-R870 PolarHBondContact O-NE 3.15Å; L865-R870 PolarHBondContact O-NH2 3.11Å |
| 866 | P | 52.2 | Low | 49.6 | Very low | 27.25 Ų | 27.25 | 80.4 Ų | 80.4 | 18% | 0.177 | 41% | 0.412 | C | S | . | . | trans | -56.1 | 149.6 | 172.8 | -7.7 | 14.6 | 0 | 0 | 0 | 110.9 | M655 V770 V773 E868 L869 R870 | M655-P866 HydrophobicContact CE-CB 4.12Å; M655-P866 HydrophobicContact CE-CG 3.77Å; V770-P866 HydrophobicContact CG1-CG 4.1Å; V770-P866 HydrophobicContact CG2-CG 4.15Å; V773-P866 HydrophobicContact CG1-CB 4.31Å; V773-P866 HydrophobicContact CG1-CG 4.41Å; P866-E868 WeakPolarHBondContact CB-OE2 3.29Å; P866-E868 PolarHBondContact O-N 3.13Å; P866-E868 VanDerWaalsContact O-N 3.09Å; P866-L869 HydrophobicContact CG-CB 4.39Å; P866-L869 HydrophobicContact CG-CD1 4.19Å; P866-L869 HydrophobicContact CG-CG 4Å; P866-L869 PolarHBondContact O-N 3.4Å; P866-R870 WeakPolarHBondContact O-CB 3.32Å; P866-R870 PolarHBondContact O-N 3.02Å; P866-R870 VanDerWaalsContact O-N 3.11Å | ||
| 867 | M | 52.2 | Low | 51.6 | Low | 128.5 Ų | 128.5 | 74.9 Ų | 74.9 | 63% | 0.633 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -52.5 | -32.2 | -178.1 | -104.1 | -90.4 | -49.9 | 0 | 0 | 112.9 | L869 R870 T871 | M867-L869 VanDerWaalsContact C-N 3.31Å; M867-L869 PolarHBondContact O-N 3.01Å; M867-R870 VanDerWaalsContact O-CB 3.3Å; M867-R870 WeakPolarHBondContact O-CB 3.44Å; M867-R870 PolarHBondContact O-N 3.4Å; M867-T871 PolarHBondContact O-N 3.32Å; M867-T871 VanDerWaalsContact O-N 3.14Å; M867-T871 PolarHBondContact O-OG1 2.99Å |
| 868 | E | 52.1 | Low | 53.7 | Low | 107 Ų | 107 | 68.2 Ų | 68.2 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -29.6 | 178.4 | -61.4 | 121.1 | 174.7 | 0 | 0 | 113.5 | V773 P866 T871 P872 | V773-E868 HydrophobicContact CG1-CB 4.36Å; V773-E868 HydrophobicContact CG1-CG 4.38Å; V773-E868 HydrophobicContact CG2-CB 4.43Å; P866-E868 WeakPolarHBondContact CB-OE2 3.29Å; P866-E868 PolarHBondContact O-N 3.13Å; P866-E868 VanDerWaalsContact O-N 3.09Å; E868-T871 CarbonylContact O-C 3.58Å; E868-P872 VanDerWaalsContact O-CA 3.23Å; E868-P872 WeakPolarHBondContact O-CA 3.29Å |
| 869 | L | 55.3 | Low | 55.6 | Low | 5.75 Ų | 5.75 | 64.1 Ų | 64.1 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -96.1 | -21 | 176.9 | -68.8 | 172.6 | 0 | 0 | 0 | 112.8 | L769 V770 V773 L865 P866 M867 T871 P872 L876 | L769-L869 HydrophobicContact CB-CD1 3.7Å; L769-L869 HydrophobicContact CB-CD2 3.96Å; L769-L869 HydrophobicContact CB-CG 4.49Å; L769-L869 HydrophobicContact CD1-CD2 4.45Å; V770-L869 HydrophobicContact CB-CD1 4.43Å; V770-L869 HydrophobicContact CG2-CD1 3.79Å; V773-L869 HydrophobicContact CG2-CD1 4.32Å; V773-L869 HydrophobicContact CG2-CD2 4.12Å; V773-L869 HydrophobicContact CG2-CG 4.17Å; L865-L869 HydrophobicContact CB-CB 4.08Å; L865-L869 HydrophobicContact CD2-CB 4.03Å; L865-L869 HydrophobicContact CD2-CD1 4.08Å; L865-L869 HydrophobicContact CD2-CD2 4.49Å; L865-L869 HydrophobicContact CD2-CG 4.42Å; P866-L869 HydrophobicContact CG-CB 4.39Å; P866-L869 HydrophobicContact CG-CD1 4.19Å; P866-L869 HydrophobicContact CG-CG 4Å; P866-L869 PolarHBondContact O-N 3.4Å; M867-L869 VanDerWaalsContact C-N 3.31Å; M867-L869 PolarHBondContact O-N 3.01Å; L869-T871 VanDerWaalsContact C-N 3.32Å; L869-T871 PolarHBondContact O-N 3.28Å; L869-P872 WeakPolarHBondContact O-CD 3.46Å; L869-L876 HydrophobicContact CD2-CD2 3.84Å |
| 870 | R | 54.8 | Low | 57.7 | Low | 84 Ų | 84 | 58.9 Ų | 58.9 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 172.8 | -145.3 | -179.1 | -120.1 | 171.7 | -1.8 | 111.6 | H850 I858 K862 L863 L865 P866 M867 | H850-R870 PolarHBondContact NE2-O 2.7Å; H850-R870 VanDerWaalsContact NE2-O 3.17Å; I858-R870 HydrophobicContact CG1-CG 4.43Å; I858-R870 HydrophobicContact CG2-CG 4.25Å; K862-R870 VanDerWaalsContact C-NH2 3.26Å; K862-R870 PolarHBondContact O-NE 2.72Å; K862-R870 VanDerWaalsContact O-NE 3.12Å; K862-R870 PolarHBondContact O-NH2 3.38Å; L863-R870 VanDerWaalsContact CD1-NH2 3.3Å; L863-R870 PolarHBondContact O-NH2 3.21Å; L865-R870 HydrophobicContact CB-CG 4.24Å; L865-R870 PolarHBondContact O-NE 3.15Å; L865-R870 PolarHBondContact O-NH2 3.11Å; P866-R870 WeakPolarHBondContact O-CB 3.32Å; P866-R870 PolarHBondContact O-N 3.02Å; P866-R870 VanDerWaalsContact O-N 3.11Å; M867-R870 VanDerWaalsContact O-CB 3.3Å; M867-R870 WeakPolarHBondContact O-CB 3.44Å; M867-R870 PolarHBondContact O-N 3.4Å |
| 871 | T | 53.8 | Low | 60 | Low | 80.25 Ų | 80.25 | 49.6 Ų | 49.6 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -133.4 | 81.6 | 169.7 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | M867 E868 L869 S873 | M867-T871 PolarHBondContact O-N 3.32Å; M867-T871 VanDerWaalsContact O-N 3.14Å; M867-T871 PolarHBondContact O-OG1 2.99Å; E868-T871 CarbonylContact O-C 3.58Å; L869-T871 VanDerWaalsContact C-N 3.32Å; L869-T871 PolarHBondContact O-N 3.28Å; T871-S873 PolarHBondContact O-N 3.29Å |
| 872 | P | 61.6 | Low | 62 | Low | 13 Ų | 13 | 48.7 Ų | 48.7 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | trans | -63.3 | 140.9 | -176.7 | 29.9 | -36.3 | 0 | 0 | 0 | 110.5 | H846 Y847 H850 E868 L869 L874 L876 | H846-P872 HydrophobicContact CB-CG 4.08Å; Y847-P872 HydrophobicContact CD1-CG 3.89Å; Y847-P872 HydrophobicContact CE1-CB 4.43Å; Y847-P872 VanDerWaalsContact CE1-CD 3.4Å; Y847-P872 HydrophobicContact CE1-CG 3.32Å; H850-P872 PolarHBondContact CE1-O 3.3Å; H850-P872 PolarHBondContact NE2-O 2.78Å; H850-P872 VanDerWaalsContact NE2-O 3.17Å; E868-P872 VanDerWaalsContact O-CA 3.23Å; E868-P872 WeakPolarHBondContact O-CA 3.29Å; L869-P872 WeakPolarHBondContact O-CD 3.46Å; P872-L874 PolarHBondContact O-N 3.12Å; P872-L876 HydrophobicContact CB-CB 4.46Å; P872-L876 HydrophobicContact CB-CD2 3.94Å | ||
| 873 | S | 64.2 | Low | 63.6 | Low | 62.5 Ų | 62.5 | 44.9 Ų | 44.9 | 44% | 0.437 | 24% | 0.244 | S | C | . | . | trans | -57.1 | 144.5 | 171.7 | 64.9 | 0 | 0 | 0 | 0 | 110 | T871 S875 L876 L877 | T871-S873 PolarHBondContact O-N 3.29Å; S873-S875 WeakPolarHBondContact CB-OG 3.36Å; S873-S875 PolarHBondContact O-N 3.22Å; S873-S875 VanDerWaalsContact O-N 3.14Å; S873-S875 PolarHBondContact OG-OG 3.09Å; S873-S875 VanDerWaalsContact OG-OG 3.09Å; S873-L876 WeakPolarHBondContact O-CA 3.45Å; S873-L876 WeakPolarHBondContact O-CB 3.25Å; S873-L876 PolarHBondContact O-N 3.12Å; S873-L876 WeakPolarHBondContact OG-CB 3.35Å; S873-L876 PolarHBondContact OG-N 3.07Å; S873-L876 VanDerWaalsContact OG-N 3.14Å; S873-L877 PolarHBondContact O-N 2.98Å; S873-L877 VanDerWaalsContact O-N 3.12Å | ||
| 874 | L | 67.6 | Low | 65.5 | Low | 63.25 Ų | 63.25 | 40.7 Ų | 40.7 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.4 | -33 | 179.6 | -165.1 | 83.4 | 0 | 0 | 0 | 111.7 | P872 L877 T878 V914 A918 | P872-L874 PolarHBondContact O-N 3.12Å; L874-L877 PolarHBondContact O-N 2.88Å; L874-T878 WeakPolarHBondContact O-CB 3.39Å; L874-T878 VanDerWaalsContact O-CG2 3.25Å; L874-T878 WeakPolarHBondContact O-CG2 3.4Å; L874-T878 PolarHBondContact O-N 3.17Å; L874-T878 PolarHBondContact O-OG1 3.24Å; L874-V914 HydrophobicContact CD1-CB 4.27Å; L874-V914 HydrophobicContact CD1-CG1 3.51Å; L874-V914 HydrophobicContact CD1-CG2 4.03Å; L874-V914 HydrophobicContact CD2-CG1 4.26Å; L874-V914 HydrophobicContact CG-CG1 3.91Å; L874-A918 HydrophobicContact CD1-CB 4.37Å; L874-A918 HydrophobicContact CD2-CB 3.46Å; L874-A918 HydrophobicContact CG-CB 4.43Å |
| 875 | S | 67.3 | Low | 67.2 | Low | 55 Ų | 55 | 39.4 Ų | 39.4 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.6 | -46 | 172.8 | 42.8 | 0 | 0 | 0 | 0 | 113.1 | S873 L877 T878 H879 | S873-S875 WeakPolarHBondContact CB-OG 3.36Å; S873-S875 PolarHBondContact O-N 3.22Å; S873-S875 VanDerWaalsContact O-N 3.14Å; S873-S875 PolarHBondContact OG-OG 3.09Å; S873-S875 VanDerWaalsContact OG-OG 3.09Å; S875-L877 VanDerWaalsContact C-N 3.27Å; S875-L877 PolarHBondContact O-N 3.29Å; S875-T878 WeakPolarHBondContact CA-OG1 3.34Å; S875-T878 PolarHBondContact O-N 2.93Å; S875-T878 PolarHBondContact O-OG1 3.13Å; S875-H879 WeakPolarHBondContact O-CB 3.23Å; S875-H879 PolarHBondContact O-CD2 3.24Å; S875-H879 VanDerWaalsContact O-CD2 3.25Å; S875-H879 VanDerWaalsContact O-CG 3.24Å; S875-H879 PolarHBondContact O-N 3.46Å |
| 876 | L | 70.7 | Confident | 68.6 | Low | 26.5 Ų | 26.5 | 40.7 Ų | 40.7 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.8 | -174 | 75.3 | 0 | 0 | 0 | 110.8 | L869 P872 S873 T878 H879 I880 | L869-L876 HydrophobicContact CD2-CD2 3.84Å; P872-L876 HydrophobicContact CB-CB 4.46Å; P872-L876 HydrophobicContact CB-CD2 3.94Å; S873-L876 WeakPolarHBondContact O-CA 3.45Å; S873-L876 WeakPolarHBondContact O-CB 3.25Å; S873-L876 PolarHBondContact O-N 3.12Å; S873-L876 WeakPolarHBondContact OG-CB 3.35Å; S873-L876 PolarHBondContact OG-N 3.07Å; S873-L876 VanDerWaalsContact OG-N 3.14Å; L876-T878 VanDerWaalsContact C-N 3.32Å; L876-T878 PolarHBondContact O-N 3.15Å; L876-H879 PolarHBondContact O-N 3.12Å; L876-H879 VanDerWaalsContact O-N 3.15Å; L876-I880 HydrophobicContact CD2-CD1 3.94Å; L876-I880 HydrophobicContact CG-CD1 4.09Å; L876-I880 WeakPolarHBondContact O-CG1 3.33Å; L876-I880 PolarHBondContact O-N 3.11Å |
| 877 | L | 73.4 | Confident | 69.8 | Low | 6.25 Ų | 6.25 | 39.5 Ų | 39.5 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.5 | -172.7 | 62.4 | 0 | 0 | 0 | 111.8 | L843 Y847 S873 L874 S875 H879 I880 I881 V914 | L843-L877 HydrophobicContact CD2-CD1 3.97Å; L843-L877 VanDerWaalsContact CD2-CD1 3.42Å; L843-L877 HydrophobicContact CD2-CG 4.38Å; Y847-L877 HydrophobicContact CD1-CD1 4.47Å; Y847-L877 HydrophobicContact CD1-CD2 4.14Å; Y847-L877 HydrophobicContact CD2-CD1 3.47Å; Y847-L877 VanDerWaalsContact CD2-CD1 3.47Å; Y847-L877 HydrophobicContact CD2-CD2 4Å; Y847-L877 HydrophobicContact CE1-CD1 4.37Å; Y847-L877 HydrophobicContact CE2-CD1 3.65Å; Y847-L877 VanDerWaalsContact CE2-CD1 3.4Å; Y847-L877 HydrophobicContact CG-CD1 3.9Å; Y847-L877 HydrophobicContact CG-CD2 4.32Å; S873-L877 PolarHBondContact O-N 2.98Å; S873-L877 VanDerWaalsContact O-N 3.12Å; L874-L877 PolarHBondContact O-N 2.88Å; S875-L877 VanDerWaalsContact C-N 3.27Å; S875-L877 PolarHBondContact O-N 3.29Å; L877-H879 VanDerWaalsContact C-N 3.3Å; L877-H879 PolarHBondContact O-N 3.07Å; L877-I880 PolarHBondContact O-N 3.18Å; L877-I881 HydrophobicContact CD1-CD1 4.22Å; L877-I881 HydrophobicContact CD1-CG1 4.43Å; L877-I881 HydrophobicContact CG-CD1 4.1Å; L877-I881 WeakPolarHBondContact O-CB 3.48Å; L877-I881 WeakPolarHBondContact O-CD1 3.46Å; L877-I881 VanDerWaalsContact O-CG1 3.28Å; L877-I881 WeakPolarHBondContact O-CG1 3.24Å; L877-I881 PolarHBondContact O-N 3.21Å; L877-I881 VanDerWaalsContact O-N 3.09Å; L877-V914 HydrophobicContact CD2-CB 4.48Å; L877-V914 HydrophobicContact CD2-CG1 4.17Å; L877-V914 HydrophobicContact CD2-CG2 3.55Å; L877-V914 VanDerWaalsContact CD2-CG2 3.47Å; L877-V914 HydrophobicContact CG-CG1 4.49Å; L877-V914 HydrophobicContact CG-CG2 4.23Å |
| 878 | T | 75.5 | Confident | 71.2 | Confident | 27.25 Ų | 27.25 | 33.7 Ų | 33.7 | 17% | 0.167 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 174.1 | 34.7 | 0 | 0 | 0 | 0 | 112 | L874 S875 L876 Q882 L911 V914 | L874-T878 WeakPolarHBondContact O-CB 3.39Å; L874-T878 VanDerWaalsContact O-CG2 3.25Å; L874-T878 WeakPolarHBondContact O-CG2 3.4Å; L874-T878 PolarHBondContact O-N 3.17Å; L874-T878 PolarHBondContact O-OG1 3.24Å; S875-T878 WeakPolarHBondContact CA-OG1 3.34Å; S875-T878 PolarHBondContact O-N 2.93Å; S875-T878 PolarHBondContact O-OG1 3.13Å; L876-T878 VanDerWaalsContact C-N 3.32Å; L876-T878 PolarHBondContact O-N 3.15Å; T878-Q882 HydrophobicContact CG2-CG 4.39Å; T878-Q882 VanDerWaalsContact O-CB 3.27Å; T878-Q882 WeakPolarHBondContact O-CB 3.38Å; T878-Q882 VanDerWaalsContact O-CG 3.24Å; T878-Q882 WeakPolarHBondContact O-CG 3.36Å; T878-Q882 PolarHBondContact O-N 3.37Å; T878-L911 HydrophobicContact CG2-CD1 4.26Å; T878-V914 HydrophobicContact CG2-CG1 3.76Å |
| 879 | H | 74.9 | Confident | 72.6 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 15% | 0.153 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 176.3 | -72.9 | -44.7 | 0 | 0 | 0 | 113 | Q811 K815 S875 L876 L877 I881 Q882 S883 | Q811-H879 PolarHBondContact NE2-CE1 3.23Å; Q811-H879 PolarHBondContact NE2-NE2 3.32Å; K815-H879 WeakPolarHBondContact CE-CE1 3.4Å; K815-H879 WeakPolarHBondContact CE-ND1 3.34Å; S875-H879 WeakPolarHBondContact O-CB 3.23Å; S875-H879 PolarHBondContact O-CD2 3.24Å; S875-H879 VanDerWaalsContact O-CD2 3.25Å; S875-H879 VanDerWaalsContact O-CG 3.24Å; S875-H879 PolarHBondContact O-N 3.46Å; L876-H879 PolarHBondContact O-N 3.12Å; L876-H879 VanDerWaalsContact O-N 3.15Å; L877-H879 VanDerWaalsContact C-N 3.3Å; L877-H879 PolarHBondContact O-N 3.07Å; H879-I881 PolarHBondContact O-N 2.79Å; H879-Q882 PolarHBondContact O-N 3.11Å; H879-S883 VanDerWaalsContact O-CB 3.29Å; H879-S883 WeakPolarHBondContact O-CB 3.37Å; H879-S883 PolarHBondContact O-N 3.06Å; H879-S883 PolarHBondContact O-OG 3.11Å; H879-S883 VanDerWaalsContact O-OG 3.05Å |
| 880 | I | 77.1 | Confident | 73.5 | Confident | 3.75 Ų | 3.75 | 37.3 Ų | 37.3 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 175.6 | -64.3 | 163.3 | 0 | 0 | 0 | 110.2 | L769 L818 F822 L843 L876 L877 Q882 S883 A884 | L769-I880 HydrophobicContact CD1-CD1 4.08Å; L769-I880 HydrophobicContact CD2-CD1 3.84Å; L769-I880 HydrophobicContact CD2-CG1 3.98Å; L818-I880 HydrophobicContact CD1-CG1 3.99Å; F822-I880 HydrophobicContact CE2-CG2 4.21Å; F822-I880 HydrophobicContact CZ-CG2 4.3Å; L843-I880 HydrophobicContact CD2-CB 4.45Å; L843-I880 HydrophobicContact CD2-CG2 4.14Å; L876-I880 HydrophobicContact CD2-CD1 3.94Å; L876-I880 HydrophobicContact CG-CD1 4.09Å; L876-I880 WeakPolarHBondContact O-CG1 3.33Å; L876-I880 PolarHBondContact O-N 3.11Å; L877-I880 PolarHBondContact O-N 3.18Å; I880-Q882 VanDerWaalsContact C-N 3.34Å; I880-Q882 PolarHBondContact O-N 3.44Å; I880-S883 WeakPolarHBondContact CA-OG 3.28Å; I880-S883 PolarHBondContact O-N 3.09Å; I880-S883 PolarHBondContact O-OG 3.21Å; I880-A884 WeakPolarHBondContact O-CB 3.35Å; I880-A884 PolarHBondContact O-N 3.12Å; I880-A884 VanDerWaalsContact O-N 3.08Å |
| 881 | I | 80.4 | Confident | 74.1 | Confident | 0.5 Ų | 0.5 | 37.8 Ų | 37.8 | 0% | 0.003 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 179.1 | -63.3 | 164.4 | 0 | 0 | 0 | 110.9 | L843 L877 H879 S883 A884 Q885 L907 L910 L911 V914 | L843-I881 HydrophobicContact CD1-CG1 4.04Å; L843-I881 HydrophobicContact CD2-CG1 4.04Å; L877-I881 HydrophobicContact CD1-CD1 4.22Å; L877-I881 HydrophobicContact CD1-CG1 4.43Å; L877-I881 HydrophobicContact CG-CD1 4.1Å; L877-I881 WeakPolarHBondContact O-CB 3.48Å; L877-I881 WeakPolarHBondContact O-CD1 3.46Å; L877-I881 VanDerWaalsContact O-CG1 3.28Å; L877-I881 WeakPolarHBondContact O-CG1 3.24Å; L877-I881 PolarHBondContact O-N 3.21Å; L877-I881 VanDerWaalsContact O-N 3.09Å; H879-I881 PolarHBondContact O-N 2.79Å; I881-S883 PolarHBondContact O-N 3.37Å; I881-A884 PolarHBondContact O-N 3.26Å; I881-Q885 HydrophobicContact CG2-CG 4.42Å; I881-Q885 VanDerWaalsContact O-CB 3.24Å; I881-Q885 WeakPolarHBondContact O-CB 3.29Å; I881-Q885 VanDerWaalsContact O-CG 3.29Å; I881-Q885 WeakPolarHBondContact O-CG 3.42Å; I881-Q885 PolarHBondContact O-N 3.18Å; I881-L907 HydrophobicContact CG2-CB 4.33Å; I881-L907 HydrophobicContact CG2-CD2 4.41Å; I881-L910 HydrophobicContact CD1-CB 4.23Å; I881-L910 HydrophobicContact CD1-CD2 3.46Å; I881-L910 HydrophobicContact CG1-CD2 4.28Å; I881-L911 HydrophobicContact CB-CD1 4.27Å; I881-L911 HydrophobicContact CD1-CD1 4.34Å; I881-L911 HydrophobicContact CG2-CB 4.11Å; I881-L911 HydrophobicContact CG2-CD1 4.03Å; I881-L911 HydrophobicContact CG2-CG 4.5Å; I881-V914 HydrophobicContact CD1-CG2 4.31Å |
| 882 | Q | 82.1 | Confident | 74.9 | Confident | 79 Ų | 79 | 36.2 Ų | 36.2 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.1 | -37.7 | -179.9 | -76.2 | 177.3 | 4.2 | 0 | 0 | 113 | T878 H879 I880 Q885 A886 L911 | T878-Q882 HydrophobicContact CG2-CG 4.39Å; T878-Q882 VanDerWaalsContact O-CB 3.27Å; T878-Q882 WeakPolarHBondContact O-CB 3.38Å; T878-Q882 VanDerWaalsContact O-CG 3.24Å; T878-Q882 WeakPolarHBondContact O-CG 3.36Å; T878-Q882 PolarHBondContact O-N 3.37Å; H879-Q882 PolarHBondContact O-N 3.11Å; I880-Q882 VanDerWaalsContact C-N 3.34Å; I880-Q882 PolarHBondContact O-N 3.44Å; Q882-Q885 PolarHBondContact O-N 3.1Å; Q882-A886 VanDerWaalsContact O-CB 3.3Å; Q882-A886 WeakPolarHBondContact O-CB 3.36Å; Q882-A886 PolarHBondContact O-N 3.23Å; Q882-L911 HydrophobicContact CG-CD1 4.32Å |
| 883 | S | 78.4 | Confident | 75.5 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.7 | -43.5 | 177 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | L818 F822 H879 I880 I881 Q885 A886 A887 | L818-S883 WeakPolarHBondContact CB-OG 3.34Å; F822-S883 WeakPolarHBondContact CD2-OG 3.48Å; F822-S883 WeakPolarHBondContact CE2-OG 3.14Å; H879-S883 VanDerWaalsContact O-CB 3.29Å; H879-S883 WeakPolarHBondContact O-CB 3.37Å; H879-S883 PolarHBondContact O-N 3.06Å; H879-S883 PolarHBondContact O-OG 3.11Å; H879-S883 VanDerWaalsContact O-OG 3.05Å; I880-S883 WeakPolarHBondContact CA-OG 3.28Å; I880-S883 PolarHBondContact O-N 3.09Å; I880-S883 PolarHBondContact O-OG 3.21Å; I881-S883 PolarHBondContact O-N 3.37Å; S883-Q885 VanDerWaalsContact C-N 3.34Å; S883-Q885 PolarHBondContact O-N 3.11Å; S883-A886 PolarHBondContact O-N 3.02Å; S883-A886 VanDerWaalsContact O-N 3.14Å; S883-A887 WeakPolarHBondContact O-CB 3.27Å; S883-A887 PolarHBondContact O-N 3.04Å |
| 884 | A | 81.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F822 V839 I880 I881 A886 A887 L888 L907 | F822-A884 HydrophobicContact CD1-CB 4.42Å; F822-A884 HydrophobicContact CD2-CB 4.06Å; F822-A884 HydrophobicContact CE1-CB 4.42Å; F822-A884 HydrophobicContact CE2-CB 4Å; F822-A884 HydrophobicContact CG-CB 4.35Å; F822-A884 HydrophobicContact CZ-CB 4.21Å; V839-A884 HydrophobicContact CG1-CB 4.34Å; I880-A884 WeakPolarHBondContact O-CB 3.35Å; I880-A884 PolarHBondContact O-N 3.12Å; I880-A884 VanDerWaalsContact O-N 3.08Å; I881-A884 PolarHBondContact O-N 3.26Å; A884-A886 VanDerWaalsContact C-N 3.32Å; A884-A886 PolarHBondContact O-N 3.1Å; A884-A887 PolarHBondContact O-N 3.19Å; A884-L888 WeakPolarHBondContact O-CB 3.36Å; A884-L888 VanDerWaalsContact O-CG 3.29Å; A884-L888 WeakPolarHBondContact O-CG 3.36Å; A884-L888 PolarHBondContact O-N 3.11Å; A884-L907 HydrophobicContact CB-CD1 4.31Å |
| 885 | Q | 82.9 | Confident | 76.8 | Confident | 7.5 Ų | 7.5 | 35.3 Ų | 35.3 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -29.9 | 175.3 | -75 | -170.1 | -11.4 | 0 | 0 | 114 | I881 Q882 S883 R889 L907 N908 | I881-Q885 HydrophobicContact CG2-CG 4.42Å; I881-Q885 VanDerWaalsContact O-CB 3.24Å; I881-Q885 WeakPolarHBondContact O-CB 3.29Å; I881-Q885 VanDerWaalsContact O-CG 3.29Å; I881-Q885 WeakPolarHBondContact O-CG 3.42Å; I881-Q885 PolarHBondContact O-N 3.18Å; Q882-Q885 PolarHBondContact O-N 3.1Å; S883-Q885 VanDerWaalsContact C-N 3.34Å; S883-Q885 PolarHBondContact O-N 3.11Å; Q885-R889 WeakPolarHBondContact O-CD 3.28Å; Q885-R889 VanDerWaalsContact O-CG 3.28Å; Q885-R889 WeakPolarHBondContact O-CG 3.35Å; Q885-R889 PolarHBondContact O-N 2.86Å; Q885-R889 PolarHBondContact O-NE 3.25Å; Q885-R889 VanDerWaalsContact O-NE 3.11Å; Q885-R889 PolarHBondContact O-NH1 3.02Å; Q885-L907 HydrophobicContact CG-CB 4.08Å; Q885-L907 HydrophobicContact CG-CD1 4.03Å; Q885-N908 PolarHBondContact NE2-OD1 2.92Å |
| 886 | A | 81.3 | Confident | 77.4 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.8 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q882 S883 A884 L888 R889 S890 | Q882-A886 VanDerWaalsContact O-CB 3.3Å; Q882-A886 WeakPolarHBondContact O-CB 3.36Å; Q882-A886 PolarHBondContact O-N 3.23Å; S883-A886 PolarHBondContact O-N 3.02Å; S883-A886 VanDerWaalsContact O-N 3.14Å; A884-A886 VanDerWaalsContact C-N 3.32Å; A884-A886 PolarHBondContact O-N 3.1Å; A886-L888 PolarHBondContact O-N 3.1Å; A886-R889 CarbonylContact O-C 3.52Å; A886-R889 PolarHBondContact O-N 3.22Å; A886-R889 VanDerWaalsContact O-N 3.13Å; A886-S890 PolarHBondContact O-N 3.12Å |
| 887 | A | 79 | Confident | 77.9 | Confident | 0.5 Ų | 0.5 | 42.5 Ų | 42.5 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F822 T823 F826 S883 A884 R889 S890 | F822-A887 HydrophobicContact CB-CB 3.46Å; F822-A887 VanDerWaalsContact CB-CB 3.44Å; T823-A887 WeakPolarHBondContact OG1-CA 3.34Å; T823-A887 WeakPolarHBondContact OG1-CB 3.35Å; F826-A887 HydrophobicContact CD2-CB 3.72Å; F826-A887 HydrophobicContact CE2-CB 3.91Å; S883-A887 WeakPolarHBondContact O-CB 3.27Å; S883-A887 PolarHBondContact O-N 3.04Å; A884-A887 PolarHBondContact O-N 3.19Å; A887-R889 PolarHBondContact O-N 3.16Å; A887-R889 VanDerWaalsContact O-N 3.15Å; A887-S890 VanDerWaalsContact O-CB 3.26Å; A887-S890 WeakPolarHBondContact O-CB 3.37Å; A887-S890 PolarHBondContact O-N 3.38Å; A887-S890 VanDerWaalsContact O-N 3.1Å; A887-S890 PolarHBondContact O-OG 3.18Å |
| 888 | L | 81 | Confident | 78.1 | Confident | 8.25 Ų | 8.25 | 46.6 Ų | 46.6 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -20.2 | 174.7 | -69.7 | 169.8 | 0 | 0 | 0 | 113.9 | F826 A884 A886 V895 L900 V903 L907 | F826-L888 HydrophobicContact CD1-CD2 4.23Å; F826-L888 HydrophobicContact CD2-CD2 3.69Å; F826-L888 HydrophobicContact CD2-CG 3.96Å; F826-L888 HydrophobicContact CE1-CD2 4.13Å; F826-L888 HydrophobicContact CE2-CD1 4.41Å; F826-L888 HydrophobicContact CE2-CD2 3.59Å; F826-L888 HydrophobicContact CE2-CG 3.57Å; F826-L888 HydrophobicContact CG-CD2 4.04Å; F826-L888 HydrophobicContact CZ-CD1 4.47Å; F826-L888 HydrophobicContact CZ-CD2 3.83Å; F826-L888 HydrophobicContact CZ-CG 4.06Å; A884-L888 WeakPolarHBondContact O-CB 3.36Å; A884-L888 VanDerWaalsContact O-CG 3.29Å; A884-L888 WeakPolarHBondContact O-CG 3.36Å; A884-L888 PolarHBondContact O-N 3.11Å; A886-L888 PolarHBondContact O-N 3.1Å; L888-V895 HydrophobicContact CD2-CG2 4.09Å; L888-L900 HydrophobicContact CB-CD1 4.06Å; L888-L900 HydrophobicContact CD2-CD1 3.86Å; L888-L900 HydrophobicContact CG-CD1 4.42Å; L888-V903 HydrophobicContact CD1-CG1 3.51Å; L888-V903 VanDerWaalsContact CD1-CG1 3.49Å; L888-L907 HydrophobicContact CD1-CD1 3.66Å |
| 889 | R | 80.5 | Confident | 78.3 | Confident | 153.5 Ų | 153.5 | 47 Ų | 47 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.4 | 173.8 | -72.4 | 179.8 | -154.3 | 134.9 | -2.5 | 112.9 | Q885 A886 A887 H904 | Q885-R889 WeakPolarHBondContact O-CD 3.28Å; Q885-R889 VanDerWaalsContact O-CG 3.28Å; Q885-R889 WeakPolarHBondContact O-CG 3.35Å; Q885-R889 PolarHBondContact O-N 2.86Å; Q885-R889 PolarHBondContact O-NE 3.25Å; Q885-R889 VanDerWaalsContact O-NE 3.11Å; Q885-R889 PolarHBondContact O-NH1 3.02Å; A886-R889 CarbonylContact O-C 3.52Å; A886-R889 PolarHBondContact O-N 3.22Å; A886-R889 VanDerWaalsContact O-N 3.13Å; A887-R889 PolarHBondContact O-N 3.16Å; A887-R889 VanDerWaalsContact O-N 3.15Å; R889-H904 WeakPolarHBondContact CG-NE2 3.27Å; R889-H904 VanDerWaalsContact CZ-CE1 3.49Å; R889-H904 PolarHBondContact NH2-CE1 3.12Å; R889-H904 PolarHBondContact NH2-NE2 2.87Å; R889-H904 VanDerWaalsContact NH2-NE2 3.18Å |
| 890 | S | 74.4 | Confident | 78.7 | Confident | 35.25 Ų | 35.25 | 47.4 Ų | 47.4 | 25% | 0.247 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -67 | 145.7 | 176.7 | 93.1 | 0 | 0 | 0 | 0 | 110.8 | A886 A887 S892 C893 | A886-S890 PolarHBondContact O-N 3.12Å; A887-S890 VanDerWaalsContact O-CB 3.26Å; A887-S890 WeakPolarHBondContact O-CB 3.37Å; A887-S890 PolarHBondContact O-N 3.38Å; A887-S890 VanDerWaalsContact O-N 3.1Å; A887-S890 PolarHBondContact O-OG 3.18Å; S890-S892 PolarHBondContact O-N 3.11Å; S890-S892 VanDerWaalsContact O-N 3.14Å; S890-S892 PolarHBondContact OG-N 2.91Å; S890-S892 PolarHBondContact OG-OG 3.21Å; S890-C893 WeakPolarHBondContact O-CB 3.38Å; S890-C893 PolarHBondContact O-N 3.03Å |
| 891 | G | 69.1 | Low | 78.9 | Confident | 93.25 Ų | 93.25 | 51.5 Ų | 51.5 | 96% | 0.961 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 892 | S | 69.1 | Low | 79 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.1 | -178.8 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | T823 H827 S890 L894 | T823-S892 WeakPolarHBondContact CG2-OG 3.27Å; H827-S892 PolarHBondContact ND1-O 2.97Å; S890-S892 PolarHBondContact O-N 3.11Å; S890-S892 VanDerWaalsContact O-N 3.14Å; S890-S892 PolarHBondContact OG-N 2.91Å; S890-S892 PolarHBondContact OG-OG 3.21Å; S892-L894 PolarHBondContact O-N 3.15Å |
| 893 | C | 74.5 | Confident | 79 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -69.5 | 122.1 | -179.9 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | S890 | S890-C893 WeakPolarHBondContact O-CB 3.38Å; S890-C893 PolarHBondContact O-N 3.03Å | ||
| 894 | L | 78.7 | Confident | 79.3 | Confident | 83.25 Ų | 83.25 | 54.3 Ų | 54.3 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | trans | -98.7 | 5 | 178.8 | -61.7 | -168.6 | 0 | 0 | 0 | 114 | F826 H827 K829 S892 S896 | F826-L894 PolarHBondContact O-N 3.22Å; H827-L894 WeakPolarHBondContact O-CD1 3.27Å; K829-L894 HydrophobicContact CB-CD1 3.86Å; K829-L894 HydrophobicContact CG-CD1 3.97Å; S892-L894 PolarHBondContact O-N 3.15Å; L894-S896 PolarHBondContact O-N 3.44Å | ||
| 895 | V | 79.9 | Confident | 79.3 | Confident | 10.5 Ų | 10.5 | 60.6 Ų | 60.6 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | trans | -59.2 | 132.8 | 176.5 | -180 | 0 | 0 | 0 | 0 | 110.6 | F826 A832 D833 A836 L888 R897 I899 L900 | F826-V895 HydrophobicContact CB-CG2 4.24Å; F826-V895 HydrophobicContact CD1-CG2 3.96Å; F826-V895 HydrophobicContact CG-CG2 4.26Å; A832-V895 HydrophobicContact CB-CG2 3.97Å; D833-V895 VanDerWaalsContact OD1-CA 3.3Å; D833-V895 WeakPolarHBondContact OD1-CA 3.43Å; D833-V895 WeakPolarHBondContact OD1-CG1 3.29Å; A836-V895 HydrophobicContact CB-CG1 4.18Å; A836-V895 HydrophobicContact CB-CG2 4.09Å; L888-V895 HydrophobicContact CD2-CG2 4.09Å; V895-R897 PolarHBondContact O-N 2.96Å; V895-I899 HydrophobicContact CG1-CB 4.17Å; V895-I899 HydrophobicContact CG1-CG2 3.9Å; V895-L900 HydrophobicContact CB-CB 4.5Å; V895-L900 HydrophobicContact CB-CD1 4.47Å; V895-L900 HydrophobicContact CG1-CB 4.11Å | ||
| 896 | S | 80.7 | Confident | 79.2 | Confident | 38.75 Ų | 38.75 | 61.7 Ų | 61.7 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | trans | -60.9 | 140 | -178.1 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | D833 L894 P898 I899 L900 | D833-S896 PolarHBondContact OD1-N 3.11Å; D833-S896 PolarHBondContact OD1-OG 2.93Å; D833-S896 WeakPolarHBondContact OD2-CB 3.36Å; D833-S896 PolarHBondContact OD2-OG 3.08Å; L894-S896 PolarHBondContact O-N 3.44Å; S896-P898 VanDerWaalsContact C-CD 3.43Å; S896-P898 VanDerWaalsContact O-N 3.15Å; S896-I899 PolarHBondContact O-N 3.26Å; S896-I899 VanDerWaalsContact O-N 3.12Å; S896-I899 WeakPolarHBondContact OG-CD1 3.42Å; S896-I899 WeakPolarHBondContact OG-CG1 3.35Å; S896-L900 WeakPolarHBondContact O-CB 3.41Å; S896-L900 PolarHBondContact O-N 3.18Å | ||
| 897 | R | 80.4 | Confident | 79.3 | Confident | 194 Ų | 194 | 59.7 Ų | 59.7 | 73% | 0.732 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -52.8 | -40.5 | -172.7 | -161.8 | 120 | -179.3 | 167.4 | 1 | 115.4 | V895 I901 | V895-R897 PolarHBondContact O-N 2.96Å; R897-I901 HydrophobicContact CG-CD1 4.42Å; R897-I901 WeakPolarHBondContact O-CD1 3.39Å; R897-I901 VanDerWaalsContact O-CG1 3.29Å; R897-I901 WeakPolarHBondContact O-CG1 3.34Å; R897-I901 PolarHBondContact O-N 3.06Å |
| 898 | P | 78.4 | Confident | 79.5 | Confident | 92.25 Ų | 92.25 | 62.4 Ų | 62.4 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.8 | -45.4 | 176.9 | 14.6 | -18.1 | 0 | 0 | 0 | 112 | S896 L900 I901 E902 | S896-P898 VanDerWaalsContact C-CD 3.43Å; S896-P898 VanDerWaalsContact O-N 3.15Å; P898-L900 VanDerWaalsContact C-N 3.35Å; P898-I901 PolarHBondContact O-N 3.22Å; P898-E902 PolarHBondContact O-N 3.29Å; P898-E902 VanDerWaalsContact O-N 3.08Å |
| 899 | I | 79.8 | Confident | 79.5 | Confident | 36.75 Ų | 36.75 | 64.4 Ų | 64.4 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 179.8 | -64.3 | -178.5 | 0 | 0 | 0 | 110.2 | D833 A836 M837 V895 S896 I901 E902 V903 | D833-I899 HydrophobicContact CB-CD1 3.83Å; A836-I899 HydrophobicContact CB-CG2 4.48Å; M837-I899 HydrophobicContact CG-CG2 3.91Å; M837-I899 HydrophobicContact SD-CG2 4.01Å; V895-I899 HydrophobicContact CG1-CB 4.17Å; V895-I899 HydrophobicContact CG1-CG2 3.9Å; S896-I899 PolarHBondContact O-N 3.26Å; S896-I899 VanDerWaalsContact O-N 3.12Å; S896-I899 WeakPolarHBondContact OG-CD1 3.42Å; S896-I899 WeakPolarHBondContact OG-CG1 3.35Å; I899-I901 VanDerWaalsContact C-N 3.29Å; I899-I901 PolarHBondContact O-N 3.07Å; I899-E902 PolarHBondContact O-N 3.2Å; I899-E902 VanDerWaalsContact O-N 3.13Å; I899-V903 HydrophobicContact CG2-CG2 3.81Å; I899-V903 VanDerWaalsContact O-CB 3.31Å; I899-V903 WeakPolarHBondContact O-CB 3.36Å; I899-V903 VanDerWaalsContact O-CG2 3.26Å; I899-V903 WeakPolarHBondContact O-CG2 3.31Å; I899-V903 PolarHBondContact O-N 3.08Å |
| 900 | L | 82.9 | Confident | 79.4 | Confident | 41.25 Ų | 41.25 | 58.1 Ų | 58.1 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.3 | -42.7 | 175.7 | -177.7 | 65.9 | 0 | 0 | 0 | 111.9 | L888 V895 S896 P898 H904 | L888-L900 HydrophobicContact CB-CD1 4.06Å; L888-L900 HydrophobicContact CD2-CD1 3.86Å; L888-L900 HydrophobicContact CG-CD1 4.42Å; V895-L900 HydrophobicContact CB-CB 4.5Å; V895-L900 HydrophobicContact CB-CD1 4.47Å; V895-L900 HydrophobicContact CG1-CB 4.11Å; S896-L900 WeakPolarHBondContact O-CB 3.41Å; S896-L900 PolarHBondContact O-N 3.18Å; P898-L900 VanDerWaalsContact C-N 3.35Å; L900-H904 VanDerWaalsContact O-CB 3.26Å; L900-H904 WeakPolarHBondContact O-CB 3.41Å; L900-H904 PolarHBondContact O-N 3.23Å |
| 901 | I | 80.6 | Confident | 79.6 | Confident | 89.25 Ų | 89.25 | 57.6 Ų | 57.6 | 46% | 0.458 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 178 | -66.6 | 165.3 | 0 | 0 | 0 | 110.5 | R897 P898 I899 H904 Q905 | R897-I901 HydrophobicContact CG-CD1 4.42Å; R897-I901 WeakPolarHBondContact O-CD1 3.39Å; R897-I901 VanDerWaalsContact O-CG1 3.29Å; R897-I901 WeakPolarHBondContact O-CG1 3.34Å; R897-I901 PolarHBondContact O-N 3.06Å; P898-I901 PolarHBondContact O-N 3.22Å; I899-I901 VanDerWaalsContact C-N 3.29Å; I899-I901 PolarHBondContact O-N 3.07Å; I901-H904 PolarHBondContact O-N 3.28Å; I901-Q905 HydrophobicContact CG2-CG 4.48Å; I901-Q905 VanDerWaalsContact CG2-NE2 3.32Å; I901-Q905 VanDerWaalsContact O-CB 3.28Å; I901-Q905 WeakPolarHBondContact O-CB 3.33Å; I901-Q905 VanDerWaalsContact O-CG 3.28Å; I901-Q905 WeakPolarHBondContact O-CG 3.4Å; I901-Q905 PolarHBondContact O-N 3.04Å |
| 902 | E | 82.5 | Confident | 80 | Confident | 91.25 Ų | 91.25 | 58.6 Ų | 58.6 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | -179.9 | -174.5 | 175 | 174.3 | 0 | 0 | 112.3 | P898 I899 H904 Q905 S906 N984 | P898-E902 PolarHBondContact O-N 3.29Å; P898-E902 VanDerWaalsContact O-N 3.08Å; I899-E902 PolarHBondContact O-N 3.2Å; I899-E902 VanDerWaalsContact O-N 3.13Å; E902-H904 PolarHBondContact O-N 3.48Å; E902-Q905 PolarHBondContact O-N 2.98Å; E902-S906 VanDerWaalsContact O-CB 3.29Å; E902-S906 WeakPolarHBondContact O-CB 3.38Å; E902-S906 PolarHBondContact O-N 3.15Å; E902-S906 PolarHBondContact O-OG 2.95Å; E902-N984 PolarHBondContact OE2-ND2 3.34Å |
| 903 | V | 83.4 | Confident | 80.2 | Confident | 1.25 Ų | 1.25 | 60 Ų | 60 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176 | 173 | 0 | 0 | 0 | 0 | 110.3 | A836 M837 V840 L888 I899 Q905 S906 L907 | A836-V903 HydrophobicContact CB-CG1 4.49Å; A836-V903 HydrophobicContact CB-CG2 4.1Å; M837-V903 HydrophobicContact SD-CG2 3.79Å; V840-V903 HydrophobicContact CG2-CB 4.21Å; V840-V903 HydrophobicContact CG2-CG1 3.78Å; V840-V903 HydrophobicContact CG2-CG2 4.06Å; L888-V903 HydrophobicContact CD1-CG1 3.51Å; L888-V903 VanDerWaalsContact CD1-CG1 3.49Å; I899-V903 HydrophobicContact CG2-CG2 3.81Å; I899-V903 VanDerWaalsContact O-CB 3.31Å; I899-V903 WeakPolarHBondContact O-CB 3.36Å; I899-V903 VanDerWaalsContact O-CG2 3.26Å; I899-V903 WeakPolarHBondContact O-CG2 3.31Å; I899-V903 PolarHBondContact O-N 3.08Å; V903-Q905 VanDerWaalsContact C-N 3.34Å; V903-Q905 PolarHBondContact O-N 3.09Å; V903-S906 VanDerWaalsContact CA-OG 3.3Å; V903-S906 WeakPolarHBondContact CA-OG 3.32Å; V903-S906 PolarHBondContact O-N 3.14Å; V903-S906 PolarHBondContact O-OG 3.44Å; V903-S906 VanDerWaalsContact O-OG 3.12Å; V903-L907 HydrophobicContact CG1-CD1 3.8Å; V903-L907 HydrophobicContact CG1-CG 4.24Å; V903-L907 VanDerWaalsContact O-CB 3.29Å; V903-L907 WeakPolarHBondContact O-CB 3.28Å; V903-L907 VanDerWaalsContact O-CG 3.28Å; V903-L907 WeakPolarHBondContact O-CG 3.35Å; V903-L907 PolarHBondContact O-N 3.29Å |
| 904 | H | 83.5 | Confident | 80 | Confident | 47.75 Ų | 47.75 | 58.8 Ų | 58.8 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.3 | -149 | 57.1 | 0 | 0 | 0 | 112.4 | R889 L900 I901 E902 N908 | R889-H904 WeakPolarHBondContact CG-NE2 3.27Å; R889-H904 VanDerWaalsContact CZ-CE1 3.49Å; R889-H904 PolarHBondContact NH2-CE1 3.12Å; R889-H904 PolarHBondContact NH2-NE2 2.87Å; R889-H904 VanDerWaalsContact NH2-NE2 3.18Å; L900-H904 VanDerWaalsContact O-CB 3.26Å; L900-H904 WeakPolarHBondContact O-CB 3.41Å; L900-H904 PolarHBondContact O-N 3.23Å; I901-H904 PolarHBondContact O-N 3.28Å; E902-H904 PolarHBondContact O-N 3.48Å; H904-N908 PolarHBondContact CD2-ND2 3.32Å; H904-N908 PolarHBondContact NE2-ND2 3.22Å; H904-N908 VanDerWaalsContact NE2-ND2 3.16Å; H904-N908 WeakPolarHBondContact O-CB 3.38Å; H904-N908 VanDerWaalsContact O-CG 3.31Å; H904-N908 PolarHBondContact O-N 3.41Å; H904-N908 VanDerWaalsContact O-N 3.16Å; H904-N908 PolarHBondContact O-ND2 3.12Å |
| 905 | Q | 82.8 | Confident | 79.6 | Confident | 132.75 Ų | 132.75 | 58.3 Ų | 58.3 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.1 | -45.1 | 176.7 | -93.3 | 177.4 | 11.2 | 0 | 0 | 111.4 | I901 E902 V903 N908 A909 | I901-Q905 HydrophobicContact CG2-CG 4.48Å; I901-Q905 VanDerWaalsContact CG2-NE2 3.32Å; I901-Q905 VanDerWaalsContact O-CB 3.28Å; I901-Q905 WeakPolarHBondContact O-CB 3.33Å; I901-Q905 VanDerWaalsContact O-CG 3.28Å; I901-Q905 WeakPolarHBondContact O-CG 3.4Å; I901-Q905 PolarHBondContact O-N 3.04Å; E902-Q905 PolarHBondContact O-N 2.98Å; V903-Q905 VanDerWaalsContact C-N 3.34Å; V903-Q905 PolarHBondContact O-N 3.09Å; Q905-N908 PolarHBondContact O-N 3.22Å; Q905-A909 WeakPolarHBondContact O-CB 3.33Å; Q905-A909 PolarHBondContact O-N 3.15Å |
| 906 | S | 80.9 | Confident | 79 | Confident | 29.75 Ų | 29.75 | 61.8 Ų | 61.8 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 179.6 | -4.4 | 0 | 0 | 0 | 0 | 112.6 | V840 E902 V903 N908 A909 L910 | V840-S906 WeakPolarHBondContact CG1-OG 3.42Å; V840-S906 WeakPolarHBondContact CG2-OG 3.31Å; E902-S906 VanDerWaalsContact O-CB 3.29Å; E902-S906 WeakPolarHBondContact O-CB 3.38Å; E902-S906 PolarHBondContact O-N 3.15Å; E902-S906 PolarHBondContact O-OG 2.95Å; V903-S906 VanDerWaalsContact CA-OG 3.3Å; V903-S906 WeakPolarHBondContact CA-OG 3.32Å; V903-S906 PolarHBondContact O-N 3.14Å; V903-S906 PolarHBondContact O-OG 3.44Å; V903-S906 VanDerWaalsContact O-OG 3.12Å; S906-N908 VanDerWaalsContact C-N 3.33Å; S906-N908 PolarHBondContact O-N 3.15Å; S906-A909 PolarHBondContact O-N 3.2Å; S906-L910 WeakPolarHBondContact O-CB 3.28Å; S906-L910 WeakPolarHBondContact O-CG 3.3Å; S906-L910 PolarHBondContact O-N 3.11Å |
| 907 | L | 83.5 | Confident | 78.2 | Confident | 0.75 Ų | 0.75 | 60.8 Ų | 60.8 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 174.9 | -71.6 | 175.1 | 0 | 0 | 0 | 112 | V840 L843 I881 A884 Q885 L888 V903 L910 L911 | V840-L907 HydrophobicContact CG2-CD2 4.41Å; V840-L907 HydrophobicContact CG2-CG 4.37Å; L843-L907 HydrophobicContact CD1-CD2 3.49Å; I881-L907 HydrophobicContact CG2-CB 4.33Å; I881-L907 HydrophobicContact CG2-CD2 4.41Å; A884-L907 HydrophobicContact CB-CD1 4.31Å; Q885-L907 HydrophobicContact CG-CB 4.08Å; Q885-L907 HydrophobicContact CG-CD1 4.03Å; L888-L907 HydrophobicContact CD1-CD1 3.66Å; V903-L907 HydrophobicContact CG1-CD1 3.8Å; V903-L907 HydrophobicContact CG1-CG 4.24Å; V903-L907 VanDerWaalsContact O-CB 3.29Å; V903-L907 WeakPolarHBondContact O-CB 3.28Å; V903-L907 VanDerWaalsContact O-CG 3.28Å; V903-L907 WeakPolarHBondContact O-CG 3.35Å; V903-L907 PolarHBondContact O-N 3.29Å; L907-L910 PolarHBondContact O-N 3.2Å; L907-L911 WeakPolarHBondContact O-CB 3.36Å; L907-L911 PolarHBondContact O-N 3.3Å |
| 908 | N | 83 | Confident | 77.1 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.6 | -81.3 | -41.5 | 0 | 0 | 0 | 112.2 | Q885 H904 Q905 S906 L910 L911 Q912 | Q885-N908 PolarHBondContact NE2-OD1 2.92Å; H904-N908 PolarHBondContact CD2-ND2 3.32Å; H904-N908 PolarHBondContact NE2-ND2 3.22Å; H904-N908 VanDerWaalsContact NE2-ND2 3.16Å; H904-N908 WeakPolarHBondContact O-CB 3.38Å; H904-N908 VanDerWaalsContact O-CG 3.31Å; H904-N908 PolarHBondContact O-N 3.41Å; H904-N908 VanDerWaalsContact O-N 3.16Å; H904-N908 PolarHBondContact O-ND2 3.12Å; Q905-N908 PolarHBondContact O-N 3.22Å; S906-N908 VanDerWaalsContact C-N 3.33Å; S906-N908 PolarHBondContact O-N 3.15Å; N908-L910 VanDerWaalsContact C-N 3.31Å; N908-L910 PolarHBondContact O-N 2.92Å; N908-L911 PolarHBondContact O-N 3.1Å; N908-Q912 VanDerWaalsContact O-CG 3.31Å; N908-Q912 WeakPolarHBondContact O-CG 3.34Å; N908-Q912 PolarHBondContact O-N 3.1Å |
| 909 | A | 80.9 | Confident | 75.9 | Confident | 49.75 Ų | 49.75 | 53.6 Ų | 53.6 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q905 S906 Q912 L913 | Q905-A909 WeakPolarHBondContact O-CB 3.33Å; Q905-A909 PolarHBondContact O-N 3.15Å; S906-A909 PolarHBondContact O-N 3.2Å; A909-Q912 PolarHBondContact O-N 3.08Å; A909-L913 WeakPolarHBondContact O-CB 3.15Å; A909-L913 VanDerWaalsContact O-CG 3.32Å; A909-L913 WeakPolarHBondContact O-CG 3.37Å; A909-L913 PolarHBondContact O-N 3.28Å |
| 910 | L | 77.4 | Confident | 74.3 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.1 | -118.6 | 155.4 | 0 | 0 | 0 | 111.5 | V840 L843 Y847 I881 S906 L907 N908 Q912 L913 V914 | V840-L910 HydrophobicContact CG1-CD1 4.34Å; L843-L910 HydrophobicContact CB-CD1 3.79Å; L843-L910 HydrophobicContact CD1-CD1 4.48Å; Y847-L910 HydrophobicContact CD1-CD2 4.23Å; Y847-L910 HydrophobicContact CG-CD2 4.3Å; I881-L910 HydrophobicContact CD1-CB 4.23Å; I881-L910 HydrophobicContact CD1-CD2 3.46Å; I881-L910 HydrophobicContact CG1-CD2 4.28Å; S906-L910 WeakPolarHBondContact O-CB 3.28Å; S906-L910 WeakPolarHBondContact O-CG 3.3Å; S906-L910 PolarHBondContact O-N 3.11Å; L907-L910 PolarHBondContact O-N 3.2Å; N908-L910 VanDerWaalsContact C-N 3.31Å; N908-L910 PolarHBondContact O-N 2.92Å; L910-Q912 PolarHBondContact O-N 3.03Å; L910-L913 WeakPolarHBondContact O-CB 3.3Å; L910-L913 PolarHBondContact O-N 3.35Å; L910-V914 HydrophobicContact CD2-CG2 4.04Å; L910-V914 WeakPolarHBondContact O-CB 3.31Å; L910-V914 VanDerWaalsContact O-CG2 3.25Å; L910-V914 WeakPolarHBondContact O-CG2 3.38Å; L910-V914 PolarHBondContact O-N 3.07Å |
| 911 | L | 80.3 | Confident | 72.4 | Confident | 24.75 Ų | 24.75 | 63.3 Ų | 63.3 | 13% | 0.13 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 176.1 | -170 | 72.5 | 0 | 0 | 0 | 112.2 | T878 I881 Q882 L907 N908 L913 V914 I915 | T878-L911 HydrophobicContact CG2-CD1 4.26Å; I881-L911 HydrophobicContact CB-CD1 4.27Å; I881-L911 HydrophobicContact CD1-CD1 4.34Å; I881-L911 HydrophobicContact CG2-CB 4.11Å; I881-L911 HydrophobicContact CG2-CD1 4.03Å; I881-L911 HydrophobicContact CG2-CG 4.5Å; Q882-L911 HydrophobicContact CG-CD1 4.32Å; L907-L911 WeakPolarHBondContact O-CB 3.36Å; L907-L911 PolarHBondContact O-N 3.3Å; N908-L911 PolarHBondContact O-N 3.1Å; L911-L913 VanDerWaalsContact C-N 3.27Å; L911-L913 PolarHBondContact O-N 3.07Å; L911-V914 WeakPolarHBondContact O-CB 3.16Å; L911-V914 PolarHBondContact O-N 3.22Å; L911-I915 HydrophobicContact CD2-CD1 4.09Å; L911-I915 HydrophobicContact CG-CD1 4.1Å; L911-I915 WeakPolarHBondContact O-CD1 3.27Å; L911-I915 VanDerWaalsContact O-CG1 3.29Å; L911-I915 WeakPolarHBondContact O-CG1 3.28Å; L911-I915 PolarHBondContact O-N 3.06Å |
| 912 | Q | 76.3 | Confident | 70.4 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.7 | -73.8 | -84.1 | -17.3 | 0 | 0 | 112 | N908 A909 L910 V914 I915 N916 | N908-Q912 VanDerWaalsContact O-CG 3.31Å; N908-Q912 WeakPolarHBondContact O-CG 3.34Å; N908-Q912 PolarHBondContact O-N 3.1Å; A909-Q912 PolarHBondContact O-N 3.08Å; L910-Q912 PolarHBondContact O-N 3.03Å; Q912-V914 VanDerWaalsContact C-N 3.34Å; Q912-V914 PolarHBondContact O-N 3.16Å; Q912-I915 PolarHBondContact O-N 3.31Å; Q912-N916 WeakPolarHBondContact O-CB 3.33Å; Q912-N916 VanDerWaalsContact O-CG 3.28Å; Q912-N916 PolarHBondContact O-N 3.26Å; Q912-N916 PolarHBondContact O-ND2 3.16Å |
| 913 | L | 73 | Confident | 68 | Low | 76.5 Ų | 76.5 | 64.3 Ų | 64.3 | 40% | 0.401 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 176 | -97 | 160.9 | 0 | 0 | 0 | 111.6 | Y847 V851 A909 L910 L911 N916 S917 | Y847-L913 HydrophobicContact CE1-CB 3.73Å; Y847-L913 HydrophobicContact CE1-CD1 4.03Å; Y847-L913 HydrophobicContact CE1-CD2 4.45Å; Y847-L913 HydrophobicContact CE1-CG 4.3Å; Y847-L913 PolarHBondContact OH-O 2.66Å; V851-L913 HydrophobicContact CB-CD2 3.49Å; V851-L913 VanDerWaalsContact CB-CD2 3.49Å; V851-L913 HydrophobicContact CB-CG 4.28Å; V851-L913 HydrophobicContact CG1-CB 4.08Å; V851-L913 HydrophobicContact CG1-CD1 4.17Å; V851-L913 HydrophobicContact CG1-CD2 3.4Å; V851-L913 HydrophobicContact CG1-CG 3.68Å; V851-L913 HydrophobicContact CG2-CB 4.2Å; V851-L913 HydrophobicContact CG2-CD1 4.21Å; V851-L913 HydrophobicContact CG2-CD2 3.26Å; V851-L913 HydrophobicContact CG2-CG 4.41Å; A909-L913 WeakPolarHBondContact O-CB 3.15Å; A909-L913 VanDerWaalsContact O-CG 3.32Å; A909-L913 WeakPolarHBondContact O-CG 3.37Å; A909-L913 PolarHBondContact O-N 3.28Å; L910-L913 WeakPolarHBondContact O-CB 3.3Å; L910-L913 PolarHBondContact O-N 3.35Å; L911-L913 VanDerWaalsContact C-N 3.27Å; L911-L913 PolarHBondContact O-N 3.07Å; L913-N916 PolarHBondContact O-N 3.08Å; L913-S917 WeakPolarHBondContact O-CB 3.39Å; L913-S917 PolarHBondContact O-N 3.2Å; L913-S917 VanDerWaalsContact O-N 3.11Å |
| 914 | V | 70.1 | Confident | 65.5 | Low | 2.25 Ų | 2.25 | 71 Ų | 71 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 173.8 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | Y847 L874 L877 T878 I881 L910 L911 Q912 N916 S917 A918 | Y847-V914 HydrophobicContact CD2-CG2 3.85Å; Y847-V914 HydrophobicContact CE2-CG2 3.75Å; L874-V914 HydrophobicContact CD1-CB 4.27Å; L874-V914 HydrophobicContact CD1-CG1 3.51Å; L874-V914 HydrophobicContact CD1-CG2 4.03Å; L874-V914 HydrophobicContact CD2-CG1 4.26Å; L874-V914 HydrophobicContact CG-CG1 3.91Å; L877-V914 HydrophobicContact CD2-CB 4.48Å; L877-V914 HydrophobicContact CD2-CG1 4.17Å; L877-V914 HydrophobicContact CD2-CG2 3.55Å; L877-V914 VanDerWaalsContact CD2-CG2 3.47Å; L877-V914 HydrophobicContact CG-CG1 4.49Å; L877-V914 HydrophobicContact CG-CG2 4.23Å; T878-V914 HydrophobicContact CG2-CG1 3.76Å; I881-V914 HydrophobicContact CD1-CG2 4.31Å; L910-V914 HydrophobicContact CD2-CG2 4.04Å; L910-V914 WeakPolarHBondContact O-CB 3.31Å; L910-V914 VanDerWaalsContact O-CG2 3.25Å; L910-V914 WeakPolarHBondContact O-CG2 3.38Å; L910-V914 PolarHBondContact O-N 3.07Å; L911-V914 WeakPolarHBondContact O-CB 3.16Å; L911-V914 PolarHBondContact O-N 3.22Å; Q912-V914 VanDerWaalsContact C-N 3.34Å; Q912-V914 PolarHBondContact O-N 3.16Å; V914-N916 PolarHBondContact O-N 3.07Å; V914-S917 PolarHBondContact O-N 3.14Å; V914-S917 VanDerWaalsContact O-N 3.15Å; V914-S917 PolarHBondContact O-OG 3.05Å; V914-A918 PolarHBondContact O-N 3.12Å; V914-A918 VanDerWaalsContact O-N 3.1Å |
| 915 | I | 71.3 | Confident | 62.9 | Low | 72.75 Ų | 72.75 | 77.3 Ų | 77.3 | 37% | 0.373 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 177.8 | -67.6 | 164.4 | 0 | 0 | 0 | 111.5 | L911 Q912 S917 A918 L919 | L911-I915 HydrophobicContact CD2-CD1 4.09Å; L911-I915 HydrophobicContact CG-CD1 4.1Å; L911-I915 WeakPolarHBondContact O-CD1 3.27Å; L911-I915 VanDerWaalsContact O-CG1 3.29Å; L911-I915 WeakPolarHBondContact O-CG1 3.28Å; L911-I915 PolarHBondContact O-N 3.06Å; Q912-I915 PolarHBondContact O-N 3.31Å; I915-S917 VanDerWaalsContact C-N 3.31Å; I915-S917 PolarHBondContact O-N 3.32Å; I915-A918 VanDerWaalsContact O-CB 3.26Å; I915-A918 WeakPolarHBondContact O-CB 3.35Å; I915-A918 PolarHBondContact O-N 2.98Å; I915-A918 VanDerWaalsContact O-N 3.09Å; I915-L919 HydrophobicContact CG2-CD1 4.26Å; I915-L919 WeakPolarHBondContact O-CG 3.28Å; I915-L919 PolarHBondContact O-N 3.08Å; I915-L919 VanDerWaalsContact O-N 3.12Å |
| 916 | N | 67.7 | Low | 60.2 | Low | 83 Ų | 83 | 75.4 Ų | 75.4 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 177.7 | -72.9 | -26.2 | 0 | 0 | 0 | 112.2 | Q912 L913 V914 A918 L919 N920 | Q912-N916 WeakPolarHBondContact O-CB 3.33Å; Q912-N916 VanDerWaalsContact O-CG 3.28Å; Q912-N916 PolarHBondContact O-N 3.26Å; Q912-N916 PolarHBondContact O-ND2 3.16Å; L913-N916 PolarHBondContact O-N 3.08Å; V914-N916 PolarHBondContact O-N 3.07Å; N916-A918 PolarHBondContact O-N 3.31Å; N916-L919 PolarHBondContact O-N 3.08Å; N916-N920 WeakPolarHBondContact O-CB 3.15Å; N916-N920 PolarHBondContact O-N 3.16Å; N916-N920 VanDerWaalsContact O-N 3.12Å; N916-N920 PolarHBondContact O-ND2 3Å |
| 917 | S | 62.8 | Low | 57.6 | Low | 17.75 Ų | 17.75 | 80.5 Ų | 80.5 | 12% | 0.124 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.6 | -29.6 | 175.3 | 81.3 | 0 | 0 | 0 | 0 | 112.7 | H850 L913 V914 I915 R921 | H850-S917 PolarHBondContact ND1-OG 3.02Å; L913-S917 WeakPolarHBondContact O-CB 3.39Å; L913-S917 PolarHBondContact O-N 3.2Å; L913-S917 VanDerWaalsContact O-N 3.11Å; V914-S917 PolarHBondContact O-N 3.14Å; V914-S917 VanDerWaalsContact O-N 3.15Å; V914-S917 PolarHBondContact O-OG 3.05Å; I915-S917 VanDerWaalsContact C-N 3.31Å; I915-S917 PolarHBondContact O-N 3.32Å; S917-R921 WeakPolarHBondContact O-CG 3.37Å; S917-R921 PolarHBondContact O-N 3.45Å; S917-R921 PolarHBondContact O-NE 3.19Å |
| 918 | A | 57.2 | Low | 54.8 | Low | 32.75 Ų | 32.75 | 85.9 Ų | 85.9 | 27% | 0.271 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L874 V914 I915 N916 N920 R921 T922 | L874-A918 HydrophobicContact CD1-CB 4.37Å; L874-A918 HydrophobicContact CD2-CB 3.46Å; L874-A918 HydrophobicContact CG-CB 4.43Å; V914-A918 PolarHBondContact O-N 3.12Å; V914-A918 VanDerWaalsContact O-N 3.1Å; I915-A918 VanDerWaalsContact O-CB 3.26Å; I915-A918 WeakPolarHBondContact O-CB 3.35Å; I915-A918 PolarHBondContact O-N 2.98Å; I915-A918 VanDerWaalsContact O-N 3.09Å; N916-A918 PolarHBondContact O-N 3.31Å; A918-N920 VanDerWaalsContact C-N 3.33Å; A918-N920 PolarHBondContact O-N 3.2Å; A918-R921 PolarHBondContact O-N 3.18Å; A918-R921 VanDerWaalsContact O-N 3.13Å; A918-T922 PolarHBondContact O-N 3.16Å; A918-T922 PolarHBondContact O-OG1 3.22Å |
| 919 | L | 52.9 | Low | 52 | Low | 101.5 Ų | 101.5 | 88.5 Ų | 88.5 | 53% | 0.531 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 179.3 | -70.6 | 171.1 | 0 | 0 | 0 | 112.4 | I915 N916 R921 T922 C923 | I915-L919 HydrophobicContact CG2-CD1 4.26Å; I915-L919 WeakPolarHBondContact O-CG 3.28Å; I915-L919 PolarHBondContact O-N 3.08Å; I915-L919 VanDerWaalsContact O-N 3.12Å; N916-L919 PolarHBondContact O-N 3.08Å; L919-R921 VanDerWaalsContact C-N 3.32Å; L919-R921 PolarHBondContact O-N 3.13Å; L919-T922 WeakPolarHBondContact CA-OG1 3.41Å; L919-T922 PolarHBondContact O-N 3.29Å; L919-T922 PolarHBondContact O-OG1 3.1Å; L919-C923 PolarHBondContact O-N 3.14Å; L919-C923 VanDerWaalsContact O-N 3.16Å |
| 920 | N | 47 | Very low | 49.5 | Very low | 119.75 Ų | 119.75 | 92.9 Ų | 92.9 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68 | -24.9 | 177.2 | -81.4 | -13.1 | 0 | 0 | 0 | 113.3 | N916 A918 | N916-N920 WeakPolarHBondContact O-CB 3.15Å; N916-N920 PolarHBondContact O-N 3.16Å; N916-N920 VanDerWaalsContact O-N 3.12Å; N916-N920 PolarHBondContact O-ND2 3Å; A918-N920 VanDerWaalsContact C-N 3.33Å; A918-N920 PolarHBondContact O-N 3.2Å |
| 921 | R | 42.8 | Very low | 46.9 | Very low | 162.5 Ų | 162.5 | 97.3 Ų | 97.3 | 61% | 0.613 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77 | -30.3 | 174.3 | -70.6 | -176.7 | -152.6 | -142.5 | 4 | 112.5 | H850 S917 A918 L919 C923 | H850-R921 PolarHBondContact CE1-NH2 3.28Å; H850-R921 PolarHBondContact O-NH2 3.05Å; S917-R921 WeakPolarHBondContact O-CG 3.37Å; S917-R921 PolarHBondContact O-N 3.45Å; S917-R921 PolarHBondContact O-NE 3.19Å; A918-R921 PolarHBondContact O-N 3.18Å; A918-R921 VanDerWaalsContact O-N 3.13Å; L919-R921 VanDerWaalsContact C-N 3.32Å; L919-R921 PolarHBondContact O-N 3.13Å; R921-C923 PolarHBondContact O-N 3.39Å |
| 922 | T | 39.4 | Very low | 44.3 | Very low | 107 Ų | 107 | 101.6 Ų | 101.6 | 66% | 0.656 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.5 | -22.4 | -179.6 | 45.9 | 0 | 0 | 0 | 0 | 114.2 | A918 L919 N924 Q925 | A918-T922 PolarHBondContact O-N 3.16Å; A918-T922 PolarHBondContact O-OG1 3.22Å; L919-T922 WeakPolarHBondContact CA-OG1 3.41Å; L919-T922 PolarHBondContact O-N 3.29Å; L919-T922 PolarHBondContact O-OG1 3.1Å; T922-N924 VanDerWaalsContact C-N 3.28Å; T922-N924 PolarHBondContact O-N 3.21Å; T922-Q925 PolarHBondContact O-N 3.48Å |
| 923 | C | 31.6 | Very low | 41.9 | Very low | 95.5 Ų | 95.5 | 102.3 Ų | 102.3 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -84.1 | -12.8 | -179.3 | -123.7 | 0 | 0 | 0 | 0 | 114.7 | L919 R921 Q925 S926 | L919-C923 PolarHBondContact O-N 3.14Å; L919-C923 VanDerWaalsContact O-N 3.16Å; R921-C923 PolarHBondContact O-N 3.39Å; C923-Q925 PolarHBondContact O-N 2.86Å; C923-S926 PolarHBondContact O-OG 3.32Å |
| 924 | N | 31.8 | Very low | 39.7 | Very low | 141.25 Ų | 141.25 | 106 Ų | 106 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 11.8 | -174.4 | -80.8 | -3.8 | 0 | 0 | 0 | 115.3 | T922 | T922-N924 VanDerWaalsContact C-N 3.28Å; T922-N924 PolarHBondContact O-N 3.21Å |
| 925 | Q | 28.2 | Very low | 37.5 | Very low | 180.5 Ų | 180.5 | 111.5 Ų | 111.5 | 84% | 0.843 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 35.9 | 174 | -73.1 | -171.5 | 2.5 | 0 | 0 | 113.1 | T922 C923 T927 | T922-Q925 PolarHBondContact O-N 3.48Å; C923-Q925 PolarHBondContact O-N 2.86Å; Q925-T927 PolarHBondContact O-N 2.99Å |
| 926 | S | 26.1 | Very low | 35.3 | Very low | 93 Ų | 93 | 111.5 Ų | 111.5 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -128.3 | 78.7 | 169.9 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | C923 | C923-S926 PolarHBondContact O-OG 3.32Š| ||
| 927 | T | 26.3 | Very low | 33.3 | Very low | 137.25 Ų | 137.25 | 113.3 Ų | 113.3 | 84% | 0.842 | 70% | 0.697 | S | S | * | * | trans | 176.1 | 86.6 | 163.9 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | Q925 | Q925-T927 PolarHBondContact O-N 2.99Š| ||
| 928 | S | 24.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -160.3 | 109.1 | 165 | 44.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 929 | S | 25 | Very low | 30.1 | Very low | 112.5 Ų | 112.5 | 123.3 Ų | 123.3 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | trans | 132.4 | 98.7 | 158 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 930 | T | 26.9 | Very low | 28.8 | Very low | 141.75 Ų | 141.75 | 127.7 Ų | 127.7 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -136.2 | 121.8 | 132.5 | 36.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 931 | S | 24.2 | Very low | 27.9 | Very low | 114.25 Ų | 114.25 | 127.1 Ų | 127.1 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -74.1 | 121.1 | 163.6 | 50 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 932 | S | 25.6 | Very low | 27.2 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 175.7 | 125.8 | 126 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 933 | V | 25.9 | Very low | 27.2 | Very low | 129.25 Ų | 129.25 | 125.4 Ų | 125.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -24.1 | 132.4 | 131.4 | -174.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 934 | N | 26 | Very low | 26.9 | Very low | 154.75 Ų | 154.75 | 125.9 Ų | 125.9 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -157.8 | 147.4 | 141.8 | -100.7 | -7 | 0 | 0 | 0 | 115.5 | ||||
| 935 | S | 24.9 | Very low | 26.8 | Very low | 116.75 Ų | 116.75 | 122.7 Ų | 122.7 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -148.6 | 139.8 | 160.7 | 35.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 936 | G | 24.2 | Very low | 27.2 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 167.6 | 123.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 937 | S | 25.7 | Very low | 27.3 | Very low | 120.5 Ų | 120.5 | 121.4 Ų | 121.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | 125.1 | 137.1 | 125.7 | 53.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 938 | A | 26.1 | Very low | 27.3 | Very low | 86.25 Ų | 86.25 | 123.3 Ų | 123.3 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | 99.2 | 130.3 | 103.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 939 | M | 25.9 | Very low | 27.3 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | 95 | 127.8 | 110.6 | -86.2 | -175.6 | 153.5 | 0 | 0 | 114.3 | |||||
| 940 | K | 27.2 | Very low | 27.3 | Very low | 194.75 Ų | 194.75 | 125.9 Ų | 125.9 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | 165.3 | 138.2 | 133.8 | -104.1 | 168.1 | -179.5 | 174.7 | 0 | 110.5 | ||||
| 941 | S | 27.7 | Very low | 27.1 | Very low | 105.5 Ų | 105.5 | 126.3 Ų | 126.3 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | -165.1 | 123.3 | 76.9 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 942 | S | 27.9 | Very low | 27.2 | Very low | 115.75 Ų | 115.75 | 128 Ų | 128 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | trans | 29.9 | 169 | 138 | -64.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 943 | P | 38.3 | Very low | 27.1 | Very low | 118.5 Ų | 118.5 | 128.3 Ų | 128.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -133.3 | -177.7 | -52.4 | 35.4 | -16.8 | 0 | 0 | 0 | 115.1 | |||||
| 944 | A | 26.3 | Very low | 27.1 | Very low | 106.25 Ų | 106.25 | 128.3 Ų | 128.3 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | 74.8 | 133.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 945 | G | 29 | Very low | 26.9 | Very low | 73.25 Ų | 73.25 | 131.9 Ų | 131.9 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | -167.7 | 143.5 | 81.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 946 | P | 36.5 | Very low | 26.9 | Very low | 120.75 Ų | 120.75 | 130.9 Ų | 130.9 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -105.1 | 157 | -164.3 | 38 | -30.9 | 0 | 0 | 0 | 114.1 | ||||
| 947 | T | 28.7 | Very low | 26.9 | Very low | 126.75 Ų | 126.75 | 132.4 Ų | 132.4 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | trans | -173.5 | 134.2 | 133.6 | 41.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 948 | Q | 26.5 | Very low | 26.7 | Very low | 176.25 Ų | 176.25 | 132.2 Ų | 132.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | 130.1 | 131.1 | 57.7 | -100.3 | 172 | -7.4 | 0 | 0 | 114.3 | |||||
| 949 | S | 24.8 | Very low | 26.6 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 67.2 | 117.9 | 142.4 | 64.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 950 | H | 25.3 | Very low | 26.5 | Very low | 170.75 Ų | 170.75 | 130.8 Ų | 130.8 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -156.1 | 121.1 | 134 | -134.5 | -108.2 | 0 | 0 | 0 | 113.6 | L952 | H950-L952 PolarHBondContact O-N 3.33Š| ||
| 951 | L | 23.5 | Very low | 26.4 | Very low | 149.75 Ų | 149.75 | 129.6 Ų | 129.6 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 31.1 | 127.7 | 159.5 | -74.8 | 163.1 | 0 | 0 | 0 | 114.9 | T953 | L951-T953 PolarHBondContact O-N 3.36Š| ||
| 952 | L | 25.1 | Very low | 26.2 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -152.1 | 128.7 | 144.7 | -98.1 | 106.7 | 0 | 0 | 0 | 109.7 | H950 T954 | H950-L952 PolarHBondContact O-N 3.33Å; L952-T954 PolarHBondContact O-N 3.07Å; L952-T954 VanDerWaalsContact O-N 3.09Å | ||
| 953 | T | 23.6 | Very low | 26.1 | Very low | 119.25 Ų | 119.25 | 128.4 Ų | 128.4 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -82.6 | 130 | 165.1 | -78.1 | 0 | 0 | 0 | 0 | 110.5 | L951 R955 | L951-T953 PolarHBondContact O-N 3.36Å; T953-R955 HydrophobicContact CG2-CB 3.33Å | ||
| 954 | T | 25.3 | Very low | 25.4 | Very low | 128.75 Ų | 128.75 | 129.6 Ų | 129.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -167.7 | 113.4 | 147.9 | 39 | 0 | 0 | 0 | 0 | 112.3 | L952 A956 | L952-T954 PolarHBondContact O-N 3.07Å; L952-T954 VanDerWaalsContact O-N 3.09Å; T954-A956 PolarHBondContact O-N 3.41Å | ||
| 955 | R | 22.6 | Very low | 25.3 | Very low | 231.25 Ų | 231.25 | 131.8 Ų | 131.8 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | 51.6 | 101.1 | 139.7 | -176.2 | 179.6 | 171.7 | 173.6 | -0.6 | 113.1 | T953 S957 | T953-R955 HydrophobicContact CG2-CB 3.33Å; R955-S957 PolarHBondContact O-N 2.68Å | ||
| 956 | A | 24.6 | Very low | 25.1 | Very low | 96.25 Ų | 96.25 | 136.4 Ų | 136.4 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | trans | -135.2 | 114.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T954 S958 | T954-A956 PolarHBondContact O-N 3.41Å; A956-S958 PolarHBondContact O-N 2.91Å; A956-S958 VanDerWaalsContact O-N 3.1Å | ||
| 957 | S | 23.9 | Very low | 24.4 | Very low | 104.75 Ų | 104.75 | 141.1 Ų | 141.1 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -13.8 | 110.5 | 155.5 | -30.3 | 0 | 0 | 0 | 0 | 116.8 | R955 S959 | R955-S957 PolarHBondContact O-N 2.68Å; S957-S959 PolarHBondContact O-N 2.8Å; S957-S959 VanDerWaalsContact O-N 3.11Å | ||
| 958 | S | 22.8 | Very low | 24.1 | Very low | 116.25 Ų | 116.25 | 143.5 Ų | 143.5 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -62.6 | 109.8 | 141.7 | 56 | 0 | 0 | 0 | 0 | 112.9 | A956 T960 | A956-S958 PolarHBondContact O-N 2.91Å; A956-S958 VanDerWaalsContact O-N 3.1Å; S958-T960 PolarHBondContact O-N 3.33Å | ||
| 959 | S | 23.6 | Very low | 24 | Very low | 102.75 Ų | 102.75 | 141 Ų | 141 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 110.9 | 172.1 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | S957 I961 | S957-S959 PolarHBondContact O-N 2.8Å; S957-S959 VanDerWaalsContact O-N 3.11Å; S959-I961 PolarHBondContact O-N 3.21Å; S959-I961 VanDerWaalsContact O-N 3.15Å | ||
| 960 | T | 24.1 | Very low | 23.9 | Very low | 129.25 Ų | 129.25 | 140.9 Ų | 140.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | 6.9 | 117.5 | 131.3 | 40.4 | 0 | 0 | 0 | 0 | 112.4 | S958 S962 | S958-T960 PolarHBondContact O-N 3.33Å; T960-S962 VanDerWaalsContact C-N 3.29Å; T960-S962 PolarHBondContact O-N 3.24Å | ||
| 961 | I | 24.8 | Very low | 23.8 | Very low | 168.5 Ų | 168.5 | 139.2 Ų | 139.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -70 | 108.2 | 170.9 | -60.8 | 170.1 | 0 | 0 | 0 | 107.8 | S959 | S959-I961 PolarHBondContact O-N 3.21Å; S959-I961 VanDerWaalsContact O-N 3.15Å | ||
| 962 | S | 23.2 | Very low | 23.9 | Very low | 105.5 Ų | 105.5 | 136.3 Ų | 136.3 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -88.1 | 129.3 | 165.4 | -156.1 | 0 | 0 | 0 | 0 | 109.8 | T960 N964 | T960-S962 VanDerWaalsContact C-N 3.29Å; T960-S962 PolarHBondContact O-N 3.24Å; S962-N964 VanDerWaalsContact C-N 3.28Å; S962-N964 PolarHBondContact O-N 3.28Å | ||
| 963 | A | 24.5 | Very low | 23.8 | Very low | 90.75 Ų | 90.75 | 135.9 Ų | 135.9 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | trans | -61.2 | 80.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 964 | N | 24.3 | Very low | 23.8 | Very low | 143.5 Ų | 143.5 | 138 Ų | 138 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -130.9 | 70.8 | 165.5 | -85.8 | -3.9 | 0 | 0 | 0 | 114.9 | S962 | S962-N964 VanDerWaalsContact C-N 3.28Å; S962-N964 PolarHBondContact O-N 3.28Å | ||
| 965 | N | 24.5 | Very low | 23.6 | Very low | 153.5 Ų | 153.5 | 136.6 Ų | 136.6 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | trans | -159.2 | 75.4 | 162.9 | -77.9 | -28.7 | 0 | 0 | 0 | 114.7 | R967 | N965-R967 PolarHBondContact O-N 3.12Å; N965-R967 VanDerWaalsContact O-N 3.07Å | ||
| 966 | L | 24 | Very low | 23.8 | Very low | 168.25 Ų | 168.25 | 129.7 Ų | 129.7 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | trans | -81.5 | 87.9 | 154.1 | -70.1 | 167.3 | 0 | 0 | 0 | 111.5 | F968 | L966-F968 PolarHBondContact O-N 2.9Š| ||
| 967 | R | 22.4 | Very low | 23.8 | Very low | 219.25 Ų | 219.25 | 132 Ų | 132 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -99.7 | 127.5 | 152.7 | -165.9 | 174.9 | -175.8 | 165.9 | 1.6 | 108.7 | N965 T970 | N965-R967 PolarHBondContact O-N 3.12Å; N965-R967 VanDerWaalsContact O-N 3.07Å; R967-T970 PolarHBondContact NE-OG1 3.38Å | ||
| 968 | F | 22.9 | Very low | 23.7 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 143.5 | 170.1 | -69.1 | -85.4 | 0 | 0 | 0 | 110.9 | L966 T970 | L966-F968 PolarHBondContact O-N 2.9Å; F968-T970 VanDerWaalsContact C-N 3.25Å; F968-T970 PolarHBondContact O-N 3.13Å; F968-T970 VanDerWaalsContact O-N 3.09Å | ||
| 969 | P | 24.1 | Very low | 23.7 | Very low | 122.25 Ų | 122.25 | 129.7 Ų | 129.7 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -87.1 | 115.4 | 177.1 | 31.4 | -29.7 | 0 | 0 | 0 | 113.2 | T971 | P969-T971 PolarHBondContact O-N 3.18Š| ||
| 970 | T | 23 | Very low | 23.6 | Very low | 107.5 Ų | 107.5 | 132.4 Ų | 132.4 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | -56.7 | 120.9 | 156.8 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | R967 F968 A972 | R967-T970 PolarHBondContact NE-OG1 3.38Å; F968-T970 VanDerWaalsContact C-N 3.25Å; F968-T970 PolarHBondContact O-N 3.13Å; F968-T970 VanDerWaalsContact O-N 3.09Å; T970-A972 PolarHBondContact O-N 3.12Å | ||
| 971 | T | 23.4 | Very low | 23.5 | Very low | 136.25 Ų | 136.25 | 130.8 Ų | 130.8 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 29.9 | 113.2 | 157.4 | 55.2 | 0 | 0 | 0 | 0 | 116.6 | P969 | P969-T971 PolarHBondContact O-N 3.18Š| ||
| 972 | A | 24.5 | Very low | 23.4 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -129.5 | 137.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T970 | T970-A972 PolarHBondContact O-N 3.12Š| ||
| 973 | N | 23.9 | Very low | 23.3 | Very low | 142.75 Ų | 142.75 | 129.2 Ų | 129.2 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 56.1 | 106.6 | 167.3 | -81 | -6.2 | 0 | 0 | 0 | 116.9 | F857 S975 | F857-N973 WeakPolarHBondContact CE2-O 3.45Å; N973-S975 VanDerWaalsContact C-N 3.28Å; N973-S975 PolarHBondContact O-N 2.97Å; N973-S975 VanDerWaalsContact O-N 3.08Å | ||
| 974 | L | 22.9 | Very low | 23.2 | Very low | 164.5 Ų | 164.5 | 131.4 Ų | 131.4 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -142.3 | 71.2 | 158.8 | -86.1 | 161.6 | 0 | 0 | 0 | 111.9 | F857 A976 | F857-L974 WeakPolarHBondContact CB-O 3.32Å; F857-L974 HydrophobicContact CD2-CB 4.4Å; F857-L974 WeakPolarHBondContact CD2-O 3.48Å; F857-L974 VanDerWaalsContact CG-O 3.26Å; F857-L974 WeakPolarHBondContact CG-O 3.3Å; L974-A976 VanDerWaalsContact C-N 3.33Å; L974-A976 PolarHBondContact O-N 3.28Å | ||
| 975 | S | 22.1 | Very low | 23.1 | Very low | 97.75 Ų | 97.75 | 133.7 Ų | 133.7 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | -93.2 | 88.9 | 157.1 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | N973 | N973-S975 VanDerWaalsContact C-N 3.28Å; N973-S975 PolarHBondContact O-N 2.97Å; N973-S975 VanDerWaalsContact O-N 3.08Å | ||
| 976 | A | 25.7 | Very low | 23 | Very low | 87.75 Ų | 87.75 | 136.2 Ų | 136.2 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | trans | -158.9 | 72.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L974 | L974-A976 VanDerWaalsContact C-N 3.33Å; L974-A976 PolarHBondContact O-N 3.28Å | ||
| 977 | I | 24.5 | Very low | 22.9 | Very low | 144.25 Ų | 144.25 | 132.2 Ų | 132.2 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -133.1 | 92 | 166 | -65.6 | 166.6 | 0 | 0 | 0 | 109.2 | T852 | T852-I977 HydrophobicContact CG2-CD1 4.48Š| ||
| 978 | S | 22.3 | Very low | 22.9 | Very low | 110.75 Ų | 110.75 | 126.6 Ų | 126.6 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | -104.7 | 108.3 | 156.9 | 55.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 979 | G | 22.7 | Very low | 22.9 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | 157.6 | 103.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 980 | L | 22.4 | Very low | 22.9 | Very low | 159.5 Ų | 159.5 | 125 Ų | 125 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | 175.9 | 83.2 | 152.7 | -91.4 | 160.1 | 0 | 0 | 0 | 110.2 | R844 T982 | R844-L980 PolarHBondContact NH1-O 3.42Å; L980-T982 PolarHBondContact O-N 2.71Å | ||
| 981 | S | 21.3 | Very low | 23 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | -90.4 | 145.4 | 165 | 33.2 | 0 | 0 | 0 | 0 | 112 | D841 | D841-S981 VanDerWaalsContact OD1-CB 3.23Å; D841-S981 WeakPolarHBondContact OD1-CB 3.38Å; D841-S981 WeakPolarHBondContact OD2-CB 3.28Å; D841-S981 PolarHBondContact OD2-OG 3.08Å | ||
| 982 | T | 22.3 | Very low | 23.1 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 50.1 | 103.4 | 156 | 58.9 | 0 | 0 | 0 | 0 | 117.4 | L980 | L980-T982 PolarHBondContact O-N 2.71Š| ||
| 983 | S | 22.6 | Very low | 23.1 | Very low | 115.5 Ų | 115.5 | 127.9 Ų | 127.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -178.9 | 115.4 | 135.8 | -144.8 | 0 | 0 | 0 | 0 | 113.3 | K985 | S983-K985 PolarHBondContact O-N 3.4Š| ||
| 984 | N | 22.2 | Very low | 23.2 | Very low | 136.5 Ų | 136.5 | 127.5 Ų | 127.5 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | -9.9 | 126.9 | 148.8 | -93.7 | -27 | 0 | 0 | 0 | 116.9 | E902 | E902-N984 PolarHBondContact OE2-ND2 3.34Š| ||
| 985 | K | 22.3 | Very low | 23.3 | Very low | 191.25 Ų | 191.25 | 123.3 Ų | 123.3 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 133.6 | 127.3 | 143.5 | -86.7 | 168.6 | 180 | -179.9 | 0 | 114.6 | S983 | S983-K985 PolarHBondContact O-N 3.4Š| ||
| 986 | F | 21.2 | Very low | 23.5 | Very low | 207 Ų | 207 | 124.9 Ų | 124.9 | 91% | 0.908 | 76% | 0.759 | S | S | * | * | trans | 156.6 | 112.7 | 168.3 | -94.2 | -85.4 | 0 | 0 | 0 | 112.1 | ||||
| 987 | A | 22.2 | Very low | 23.5 | Very low | 83.75 Ų | 83.75 | 125.7 Ų | 125.7 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | 175.9 | 142.1 | 118.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 988 | S | 22.8 | Very low | 23.7 | Very low | 102.25 Ų | 102.25 | 129.6 Ų | 129.6 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | 5.1 | 127.7 | 160.6 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 989 | N | 23.5 | Very low | 24 | Very low | 148.5 Ų | 148.5 | 130.7 Ų | 130.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | -146.4 | 133.5 | 102.9 | -108.1 | -13.9 | 0 | 0 | 0 | 109.9 | D991 | N989-D991 PolarHBondContact O-N 3.15Š| |||
| 990 | V | 23.8 | Very low | 24.4 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -60.4 | 118.1 | 151.1 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | T992 | V990-T992 HydrophobicContact CG1-CG2 3.84Å; V990-T992 PolarHBondContact O-N 3.22Å | ||
| 991 | D | 24.8 | Very low | 24.9 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | -133.9 | 121.1 | 127 | -82.1 | -39.3 | 0 | 0 | 0 | 110 | N989 N993 | N989-D991 PolarHBondContact O-N 3.15Å; D991-N993 PolarHBondContact O-N 3.18Å | |||
| 992 | T | 24.6 | Very low | 25.5 | Very low | 106.25 Ų | 106.25 | 131.9 Ų | 131.9 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | trans | -64.2 | 133 | 155.1 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | V990 | V990-T992 HydrophobicContact CG1-CG2 3.84Å; V990-T992 PolarHBondContact O-N 3.22Å | ||
| 993 | N | 24.2 | Very low | 26.2 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | 144.8 | 124.8 | 146.5 | -80.1 | -25 | 0 | 0 | 0 | 115.7 | D991 G995 | D991-N993 PolarHBondContact O-N 3.18Å; N993-G995 PolarHBondContact O-N 3.38Å; N993-G995 VanDerWaalsContact O-N 3.12Å | ||
| 994 | T | 26.2 | Very low | 26.9 | Very low | 135.25 Ų | 135.25 | 131 Ų | 131 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | 43.7 | 105.2 | 165.3 | 62.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 995 | G | 24.8 | Very low | 27.6 | Very low | 75.75 Ų | 75.75 | 128.1 Ų | 128.1 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | -143.5 | 104.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N993 S997 | N993-G995 PolarHBondContact O-N 3.38Å; N993-G995 VanDerWaalsContact O-N 3.12Å; G995-S997 PolarHBondContact O-N 3.39Å | ||
| 996 | V | 26.4 | Very low | 28.4 | Very low | 131.5 Ų | 131.5 | 122.6 Ų | 122.6 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -76.4 | 113.7 | 165.4 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | R998 | V996-R998 PolarHBondContact O-N 3.2Š| ||
| 997 | S | 27 | Very low | 29.1 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | 172.7 | 111.1 | 147.5 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | G995 | G995-S997 PolarHBondContact O-N 3.39Š| ||
| 998 | R | 27.7 | Very low | 29.9 | Very low | 226 Ų | 226 | 119.8 Ų | 119.8 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -151.2 | 75.1 | 163.3 | -73.8 | 175.6 | -177.6 | 174.5 | 0.4 | 111.8 | V996 L1000 | V996-R998 PolarHBondContact O-N 3.2Å; R998-L1000 PolarHBondContact O-N 3.49Å |
| 999 | N | 29.8 | Very low | 30.7 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | trans | -130.9 | 27.7 | 165.8 | -88.4 | -27 | 0 | 0 | 0 | 114.9 | A1001 V1003 | N999-A1001 VanDerWaalsContact C-N 3.28Å; N999-A1001 PolarHBondContact O-N 3.02Å; N999-V1003 WeakPolarHBondContact O-CG2 3.16Å; N999-V1003 PolarHBondContact O-N 3.4Å | ||
| 1000 | L | 30.5 | Very low | 31.4 | Very low | 149.25 Ų | 149.25 | 119.3 Ų | 119.3 | 78% | 0.781 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -100.7 | -25.2 | 169.7 | -135.1 | 93.1 | 0 | 0 | 0 | 113.6 | R998 N1002 V1003 I1004 | R998-L1000 PolarHBondContact O-N 3.49Å; L1000-N1002 VanDerWaalsContact C-N 3.34Å; L1000-N1002 PolarHBondContact O-N 3.14Å; L1000-V1003 PolarHBondContact O-N 2.99Å; L1000-I1004 PolarHBondContact O-N 3.43Å |
| 1001 | A | 32.7 | Very low | 32 | Very low | 71.2 Ų | 71.2 | 119 Ų | 119 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.4 | -28.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N999 V1003 I1004 S1005 | N999-A1001 VanDerWaalsContact C-N 3.28Å; N999-A1001 PolarHBondContact O-N 3.02Å; A1001-V1003 VanDerWaalsContact C-N 3.3Å; A1001-V1003 PolarHBondContact O-N 2.91Å; A1001-I1004 PolarHBondContact O-N 3.06Å; A1001-S1005 PolarHBondContact O-N 2.98Å |
| 1002 | N | 34.4 | Very low | 32.6 | Very low | 122.4 Ų | 122.4 | 119.4 Ų | 119.4 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.1 | -18.3 | -173.6 | -76.2 | 7.1 | 0 | 0 | 0 | 114.1 | L1000 S1005 S1006 | L1000-N1002 VanDerWaalsContact C-N 3.34Å; L1000-N1002 PolarHBondContact O-N 3.14Å; N1002-S1005 PolarHBondContact O-N 2.8Å; N1002-S1006 VanDerWaalsContact O-CB 3.28Å; N1002-S1006 WeakPolarHBondContact O-CB 3.19Å; N1002-S1006 PolarHBondContact O-N 3.33Å; N1002-S1006 PolarHBondContact O-OG 2.83Å |
| 1003 | V | 37 | Very low | 33.3 | Very low | 103.8 Ų | 103.8 | 118 Ų | 118 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.2 | -35.7 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | N999 L1000 A1001 S1006 L1007 | N999-V1003 WeakPolarHBondContact O-CG2 3.16Å; N999-V1003 PolarHBondContact O-N 3.4Å; L1000-V1003 PolarHBondContact O-N 2.99Å; A1001-V1003 VanDerWaalsContact C-N 3.3Å; A1001-V1003 PolarHBondContact O-N 2.91Å; V1003-S1006 PolarHBondContact O-N 2.99Å; V1003-L1007 VanDerWaalsContact O-CB 3.25Å; V1003-L1007 WeakPolarHBondContact O-CB 3.36Å; V1003-L1007 PolarHBondContact O-N 3.34Å |
| 1004 | I | 36.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 61% | 0.605 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.9 | -38.7 | -177.9 | -60.3 | 173.9 | 0 | 0 | 0 | 111.2 | L1000 A1001 S1006 L1007 L1008 | L1000-I1004 PolarHBondContact O-N 3.43Å; A1001-I1004 PolarHBondContact O-N 3.06Å; I1004-S1006 VanDerWaalsContact C-N 3.32Å; I1004-S1006 PolarHBondContact O-N 3.18Å; I1004-L1007 PolarHBondContact O-N 3.03Å; I1004-L1008 VanDerWaalsContact O-CB 3.27Å; I1004-L1008 WeakPolarHBondContact O-CB 3.33Å; I1004-L1008 PolarHBondContact O-N 3.3Å |
| 1005 | S | 38 | Very low | 34 | Very low | 75.2 Ų | 75.2 | 116.6 Ų | 116.6 | 53% | 0.526 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67 | -35.4 | 179.1 | -145.6 | 0 | 0 | 0 | 0 | 113 | A1001 N1002 L1007 L1008 L1009 | A1001-S1005 PolarHBondContact O-N 2.98Å; N1002-S1005 PolarHBondContact O-N 2.8Å; S1005-L1007 PolarHBondContact O-N 2.79Å; S1005-L1008 PolarHBondContact O-N 3.14Å; S1005-L1009 WeakPolarHBondContact O-CB 3.48Å; S1005-L1009 PolarHBondContact O-N 2.92Å |
| 1006 | S | 38.5 | Very low | 34.5 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 54% | 0.538 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -71.9 | -33 | 177.1 | -106.5 | 0 | 0 | 0 | 0 | 112.8 | N1002 V1003 I1004 L1009 L1010 | N1002-S1006 VanDerWaalsContact O-CB 3.28Å; N1002-S1006 WeakPolarHBondContact O-CB 3.19Å; N1002-S1006 PolarHBondContact O-N 3.33Å; N1002-S1006 PolarHBondContact O-OG 2.83Å; V1003-S1006 PolarHBondContact O-N 2.99Å; I1004-S1006 VanDerWaalsContact C-N 3.32Å; I1004-S1006 PolarHBondContact O-N 3.18Å; S1006-L1009 PolarHBondContact O-N 2.89Å; S1006-L1010 WeakPolarHBondContact O-CB 3.43Å; S1006-L1010 PolarHBondContact O-N 3.19Å; S1006-L1010 VanDerWaalsContact O-N 3.15Å |
| 1007 | L | 35 | Very low | 34.8 | Very low | 111.4 Ų | 111.4 | 116.8 Ų | 116.8 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.5 | -36 | 178.4 | -160.9 | 74.5 | 0 | 0 | 0 | 111.8 | V1003 I1004 S1005 L1010 L1011 | V1003-L1007 VanDerWaalsContact O-CB 3.25Å; V1003-L1007 WeakPolarHBondContact O-CB 3.36Å; V1003-L1007 PolarHBondContact O-N 3.34Å; I1004-L1007 PolarHBondContact O-N 3.03Å; S1005-L1007 PolarHBondContact O-N 2.79Å; L1007-L1010 PolarHBondContact O-N 3.22Å; L1007-L1011 HydrophobicContact CD2-CD1 4.29Å; L1007-L1011 HydrophobicContact CG-CD1 4.17Å; L1007-L1011 VanDerWaalsContact O-CB 3.28Å; L1007-L1011 WeakPolarHBondContact O-CB 3.39Å; L1007-L1011 WeakPolarHBondContact O-CG 3.34Å; L1007-L1011 PolarHBondContact O-N 3.1Å; L1007-L1011 VanDerWaalsContact O-N 3.14Å |
| 1008 | L | 39 | Very low | 35 | Very low | 119.2 Ų | 119.2 | 116.9 Ų | 116.9 | 62% | 0.624 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.6 | -37.1 | 178.1 | -154.8 | 83.2 | 0 | 0 | 0 | 111.9 | I1004 S1005 L1011 F1012 | I1004-L1008 VanDerWaalsContact O-CB 3.27Å; I1004-L1008 WeakPolarHBondContact O-CB 3.33Å; I1004-L1008 PolarHBondContact O-N 3.3Å; S1005-L1008 PolarHBondContact O-N 3.14Å; L1008-L1011 PolarHBondContact O-N 3.16Å; L1008-F1012 WeakPolarHBondContact O-CB 3.48Å; L1008-F1012 PolarHBondContact O-N 3.14Å; L1008-F1012 VanDerWaalsContact O-N 3.1Å |
| 1009 | L | 39.8 | Very low | 35 | Very low | 126.4 Ų | 126.4 | 113.1 Ų | 113.1 | 66% | 0.662 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.7 | -34.1 | 175.9 | -104.4 | 155.6 | 0 | 0 | 0 | 112.6 | S1005 S1006 F1012 S1013 | S1005-L1009 WeakPolarHBondContact O-CB 3.48Å; S1005-L1009 PolarHBondContact O-N 2.92Å; S1006-L1009 PolarHBondContact O-N 2.89Å; L1009-F1012 PolarHBondContact O-N 2.84Å; L1009-S1013 WeakPolarHBondContact O-CB 3.32Å; L1009-S1013 PolarHBondContact O-N 3.14Å; L1009-S1013 VanDerWaalsContact O-N 3.12Å |
| 1010 | L | 38.9 | Very low | 34.8 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 60% | 0.602 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.7 | -40.2 | 174.1 | -108 | 158.5 | 0 | 0 | 0 | 112.1 | S1006 L1007 F1012 S1013 L1014 | S1006-L1010 WeakPolarHBondContact O-CB 3.43Å; S1006-L1010 PolarHBondContact O-N 3.19Å; S1006-L1010 VanDerWaalsContact O-N 3.15Å; L1007-L1010 PolarHBondContact O-N 3.22Å; L1010-F1012 VanDerWaalsContact C-N 3.34Å; L1010-S1013 PolarHBondContact O-N 3.2Å; L1010-L1014 VanDerWaalsContact O-CB 3.3Å; L1010-L1014 WeakPolarHBondContact O-CB 3.4Å; L1010-L1014 PolarHBondContact O-N 3.05Å; L1010-L1014 VanDerWaalsContact O-N 3.1Å |
| 1011 | L | 36.5 | Very low | 34.6 | Very low | 111.2 Ų | 111.2 | 114.3 Ų | 114.3 | 58% | 0.582 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.5 | -37.4 | 174.8 | -84.9 | 160.2 | 0 | 0 | 0 | 112.4 | L1007 L1008 L1014 L1015 | L1007-L1011 HydrophobicContact CD2-CD1 4.29Å; L1007-L1011 HydrophobicContact CG-CD1 4.17Å; L1007-L1011 VanDerWaalsContact O-CB 3.28Å; L1007-L1011 WeakPolarHBondContact O-CB 3.39Å; L1007-L1011 WeakPolarHBondContact O-CG 3.34Å; L1007-L1011 PolarHBondContact O-N 3.1Å; L1007-L1011 VanDerWaalsContact O-N 3.14Å; L1008-L1011 PolarHBondContact O-N 3.16Å; L1011-L1014 PolarHBondContact O-N 2.94Å; L1011-L1015 WeakPolarHBondContact O-CB 3.31Å; L1011-L1015 PolarHBondContact O-N 3.18Å; L1011-L1015 VanDerWaalsContact O-N 3.1Å |
| 1012 | F | 36.7 | Very low | 34.3 | Very low | 150.4 Ų | 150.4 | 117.2 Ų | 117.2 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69 | -36.1 | 176 | -123 | -91.3 | 0 | 0 | 0 | 112.6 | L1008 L1009 L1010 V1016 | L1008-F1012 WeakPolarHBondContact O-CB 3.48Å; L1008-F1012 PolarHBondContact O-N 3.14Å; L1008-F1012 VanDerWaalsContact O-N 3.1Å; L1009-F1012 PolarHBondContact O-N 2.84Å; L1010-F1012 VanDerWaalsContact C-N 3.34Å; F1012-V1016 HydrophobicContact CD1-CG2 4.22Å; F1012-V1016 HydrophobicContact CE1-CG2 4.49Å; F1012-V1016 WeakPolarHBondContact O-CG2 3.43Å; F1012-V1016 PolarHBondContact O-N 3.01Å; F1012-V1016 VanDerWaalsContact O-N 3.16Å |
| 1013 | S | 39.1 | Very low | 33.8 | Very low | 76.4 Ų | 76.4 | 120.5 Ų | 120.5 | 53% | 0.534 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.4 | -34.6 | 177.1 | -163.2 | 0 | 0 | 0 | 0 | 112.5 | L1009 L1010 L1015 V1016 T1017 | L1009-S1013 WeakPolarHBondContact O-CB 3.32Å; L1009-S1013 PolarHBondContact O-N 3.14Å; L1009-S1013 VanDerWaalsContact O-N 3.12Å; L1010-S1013 PolarHBondContact O-N 3.2Å; S1013-L1015 VanDerWaalsContact C-N 3.34Å; S1013-L1015 PolarHBondContact O-N 3.14Å; S1013-V1016 PolarHBondContact O-N 3.37Å; S1013-T1017 WeakPolarHBondContact O-CB 3.32Å; S1013-T1017 PolarHBondContact O-N 3.18Å; S1013-T1017 PolarHBondContact O-OG1 3.09Å; S1013-T1017 VanDerWaalsContact O-OG1 3.07Å |
| 1014 | L | 33.8 | Very low | 33.3 | Very low | 120.8 Ų | 120.8 | 123.4 Ų | 123.4 | 63% | 0.632 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.5 | -31.4 | 179.9 | -151.9 | 74 | 0 | 0 | 0 | 112.9 | L1010 L1011 T1017 T1018 | L1010-L1014 VanDerWaalsContact O-CB 3.3Å; L1010-L1014 WeakPolarHBondContact O-CB 3.4Å; L1010-L1014 PolarHBondContact O-N 3.05Å; L1010-L1014 VanDerWaalsContact O-N 3.1Å; L1011-L1014 PolarHBondContact O-N 2.94Å; L1014-T1017 PolarHBondContact O-N 2.76Å; L1014-T1018 WeakPolarHBondContact O-CB 3.35Å; L1014-T1018 WeakPolarHBondContact O-CG2 3.22Å; L1014-T1018 PolarHBondContact O-N 2.62Å; L1014-T1018 PolarHBondContact O-OG1 3.04Å |
| 1015 | L | 32.3 | Very low | 32.7 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76 | -28.1 | -179.2 | -162.4 | 70 | 0 | 0 | 0 | 113.1 | L1011 S1013 T1018 | L1011-L1015 WeakPolarHBondContact O-CB 3.31Å; L1011-L1015 PolarHBondContact O-N 3.18Å; L1011-L1015 VanDerWaalsContact O-N 3.1Å; S1013-L1015 VanDerWaalsContact C-N 3.34Å; S1013-L1015 PolarHBondContact O-N 3.14Å; L1015-T1018 PolarHBondContact O-OG1 3.2Å |
| 1016 | V | 34.9 | Very low | 32.2 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -83 | -22.4 | -179.2 | 177 | 0 | 0 | 0 | 0 | 112.5 | F1012 S1013 T1018 | F1012-V1016 HydrophobicContact CD1-CG2 4.22Å; F1012-V1016 HydrophobicContact CE1-CG2 4.49Å; F1012-V1016 WeakPolarHBondContact O-CG2 3.43Å; F1012-V1016 PolarHBondContact O-N 3.01Å; F1012-V1016 VanDerWaalsContact O-N 3.16Å; S1013-V1016 PolarHBondContact O-N 3.37Å; V1016-T1018 PolarHBondContact O-N 3.02Å |
| 1017 | T | 33.1 | Very low | 31.6 | Very low | 102.6 Ų | 102.6 | 126.7 Ų | 126.7 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -1.8 | -172.5 | -14.2 | 0 | 0 | 0 | 0 | 114.7 | S1013 L1014 L1019 | S1013-T1017 WeakPolarHBondContact O-CB 3.32Å; S1013-T1017 PolarHBondContact O-N 3.18Å; S1013-T1017 PolarHBondContact O-OG1 3.09Å; S1013-T1017 VanDerWaalsContact O-OG1 3.07Å; L1014-T1017 PolarHBondContact O-N 2.76Å; T1017-L1019 VanDerWaalsContact C-N 3.33Å; T1017-L1019 PolarHBondContact O-N 2.97Å |
| 1018 | T | 30.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -1.2 | -176.6 | 40 | 0 | 0 | 0 | 0 | 115.6 | L1014 L1015 V1016 | L1014-T1018 WeakPolarHBondContact O-CB 3.35Å; L1014-T1018 WeakPolarHBondContact O-CG2 3.22Å; L1014-T1018 PolarHBondContact O-N 2.62Å; L1014-T1018 PolarHBondContact O-OG1 3.04Å; L1015-T1018 PolarHBondContact O-OG1 3.2Å; V1016-T1018 PolarHBondContact O-N 3.02Å |
| 1019 | L | 27.6 | Very low | 30.3 | Very low | 146.8 Ų | 146.8 | 130.4 Ų | 130.4 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -113.5 | 65.6 | 175.4 | -75.7 | 163.6 | 0 | 0 | 0 | 112.6 | T1017 | T1017-L1019 VanDerWaalsContact C-N 3.33Å; T1017-L1019 PolarHBondContact O-N 2.97Å |
| 1020 | N | 27.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -159.2 | 85.6 | 165.2 | -93.8 | -19.9 | 0 | 0 | 0 | 114.6 | T1022 | N1020-T1022 PolarHBondContact O-N 2.9Š| ||
| 1021 | N | 25.9 | Very low | 28.8 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -104 | 101.8 | 165.6 | -81.9 | -37.5 | 0 | 0 | 0 | 113 | ||||
| 1022 | T | 26.8 | Very low | 28.3 | Very low | 131.2 Ų | 131.2 | 135.5 Ų | 135.5 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -129.9 | 130.2 | 152.2 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | N1020 L1024 | N1020-T1022 PolarHBondContact O-N 2.9Å; T1022-L1024 PolarHBondContact O-N 3.16Å | ||
| 1023 | K | 23.7 | Very low | 27.6 | Very low | 191.6 Ų | 191.6 | 133.9 Ų | 133.9 | 83% | 0.833 | 75% | 0.748 | S | S | * | * | trans | 178.3 | 137.9 | 167.9 | -89.9 | 175.2 | 176.4 | 176.9 | 0 | 112 | ||||
| 1024 | L | 25 | Very low | 26.9 | Very low | 164.8 Ų | 164.8 | 137 Ų | 137 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | trans | 65.2 | 122.2 | 163 | -54.9 | 167.9 | 0 | 0 | 0 | 114 | T1022 | T1022-L1024 PolarHBondContact O-N 3.16Š| ||
| 1025 | N | 25.6 | Very low | 26.6 | Very low | 149.6 Ų | 149.6 | 137 Ų | 137 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | -152.7 | 129.6 | 55.5 | -164.2 | 21.1 | 0 | 0 | 0 | 110.5 | |||||
| 1026 | P | 27.3 | Very low | 26.3 | Very low | 124.6 Ų | 124.6 | 138.3 Ų | 138.3 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | trans | -98.5 | 128.7 | 179.2 | 34.9 | -27 | 0 | 0 | 0 | 112.1 | ||||
| 1027 | G | 24.5 | Very low | 25.8 | Very low | 66.4 Ų | 66.4 | 138.8 Ų | 138.8 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -178.6 | 112.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1028 | V | 26.6 | Very low | 25.4 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | 173.9 | 118.2 | 125.3 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1029 | M | 21.8 | Very low | 25.2 | Very low | 162.8 Ų | 162.8 | 144.6 Ų | 144.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -50.8 | 139.1 | 160.7 | -98.8 | -176.3 | 168.7 | 0 | 0 | 112.9 | ||||
| 1030 | Q | 22.8 | Very low | 25 | Very low | 165.4 Ų | 165.4 | 145.4 Ų | 145.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | -163.3 | 144.8 | 98.2 | -111.9 | 173.7 | -4.7 | 0 | 0 | 110.2 | |||||
| 1031 | H | 23.7 | Very low | 24.9 | Very low | 162.6 Ų | 162.6 | 142.4 Ų | 142.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 63.6 | 112.6 | 160.4 | -98.7 | -96.4 | 0 | 0 | 0 | 118.6 | ||||
| 1032 | V | 25.3 | Very low | 24.9 | Very low | 131.6 Ų | 131.6 | 139.3 Ų | 139.3 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 168.4 | 98.8 | 135.7 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1033 | T | 23.7 | Very low | 24.8 | Very low | 116.4 Ų | 116.4 | 144.5 Ų | 144.5 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 131.6 | 162 | 30.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1034 | N | 24.3 | Very low | 24.8 | Very low | 141.8 Ų | 141.8 | 146.6 Ų | 146.6 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | 99.4 | 126.6 | 150.2 | -80.4 | -13.1 | 0 | 0 | 0 | 115.8 | L1036 T1037 | N1034-L1036 HydrophobicContact CB-CB 4.28Å; N1034-L1036 PolarHBondContact O-N 3.27Å; N1034-L1036 VanDerWaalsContact O-N 3.09Å; N1034-T1037 PolarHBondContact O-OG1 2.74Å | ||
| 1035 | P | 27.7 | Very low | 24.7 | Very low | 120.8 Ų | 120.8 | 148.3 Ų | 148.3 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 98.9 | 168.7 | 34.9 | -30.6 | 0 | 0 | 0 | 112.2 | T1037 | P1035-T1037 PolarHBondContact O-N 3.26Š| ||
| 1036 | L | 25.1 | Very low | 24.7 | Very low | 157.6 Ų | 157.6 | 145.4 Ų | 145.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -107.8 | 115.3 | 164.7 | -100.6 | 164.8 | 0 | 0 | 0 | 110 | N1034 L1038 | N1034-L1036 HydrophobicContact CB-CB 4.28Å; N1034-L1036 PolarHBondContact O-N 3.27Å; N1034-L1036 VanDerWaalsContact O-N 3.09Å; L1036-L1038 VanDerWaalsContact C-N 3.27Å; L1036-L1038 PolarHBondContact O-N 2.7Å | ||
| 1037 | T | 25 | Very low | 24.6 | Very low | 117.2 Ų | 117.2 | 148.4 Ų | 148.4 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -79.3 | 113.6 | -175.7 | 12.1 | 0 | 0 | 0 | 0 | 113.7 | N1034 P1035 Q1039 A1041 | N1034-T1037 PolarHBondContact O-OG1 2.74Å; P1035-T1037 PolarHBondContact O-N 3.26Å; T1037-Q1039 PolarHBondContact O-N 3.1Å; T1037-Q1039 VanDerWaalsContact O-N 3.15Å; T1037-A1041 PolarHBondContact O-N 2.59Å | ||
| 1038 | L | 24.3 | Very low | 24.4 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -117 | 74 | 158.9 | -93.3 | 160.6 | 0 | 0 | 0 | 114.1 | L1036 L1040 | L1036-L1038 VanDerWaalsContact C-N 3.27Å; L1036-L1038 PolarHBondContact O-N 2.7Å; L1038-L1040 HydrophobicContact CD2-CD1 4.47Å | ||
| 1039 | Q | 25.1 | Very low | 24.3 | Very low | 176.8 Ų | 176.8 | 148.7 Ų | 148.7 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -134 | 54 | 150.1 | -141.8 | 171.8 | -16 | 0 | 0 | 112.3 | T1037 A1041 A1042 | T1037-Q1039 PolarHBondContact O-N 3.1Å; T1037-Q1039 VanDerWaalsContact O-N 3.15Å; Q1039-A1041 VanDerWaalsContact C-N 3.31Å; Q1039-A1041 PolarHBondContact O-N 3.06Å; Q1039-A1042 PolarHBondContact O-N 3.18Å | ||
| 1040 | L | 24.1 | Very low | 24.3 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -115.2 | 90.3 | 161.8 | -91.7 | 163.5 | 0 | 0 | 0 | 110.3 | L1038 A1042 R1043 R1044 | L1038-L1040 HydrophobicContact CD2-CD1 4.47Å; L1040-A1042 VanDerWaalsContact C-N 3.34Å; L1040-R1043 PolarHBondContact O-N 2.94Å; L1040-R1044 PolarHBondContact O-N 2.93Å | ||
| 1041 | A | 24.1 | Very low | 24.4 | Very low | 86.4 Ų | 86.4 | 144 Ų | 144 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | trans | -114.1 | 114.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1037 Q1039 | T1037-A1041 PolarHBondContact O-N 2.59Å; Q1039-A1041 VanDerWaalsContact C-N 3.31Å; Q1039-A1041 PolarHBondContact O-N 3.06Å | ||
| 1042 | A | 25.8 | Very low | 24.3 | Very low | 92.6 Ų | 92.6 | 143.1 Ų | 143.1 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -173 | 110.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1039 L1040 | Q1039-A1042 PolarHBondContact O-N 3.18Å; L1040-A1042 VanDerWaalsContact C-N 3.34Å | ||
| 1043 | R | 25.7 | Very low | 24.3 | Very low | 241.2 Ų | 241.2 | 140 Ų | 140 | 91% | 0.91 | 80% | 0.8 | S | S | * | * | trans | -149.3 | 62.4 | 158.7 | -151.1 | 170.7 | -176.6 | 163.3 | 0.4 | 113.3 | L1040 | L1040-R1043 PolarHBondContact O-N 2.94Š| ||
| 1044 | R | 24 | Very low | 24.6 | Very low | 235.2 Ų | 235.2 | 140.5 Ų | 140.5 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -123.9 | 77.1 | 150.7 | -78.5 | -170.8 | 176.6 | 166.3 | 0.3 | 114.1 | L1040 | L1040-R1044 PolarHBondContact O-N 2.93Š| ||
| 1045 | K | 23.3 | Very low | 24.4 | Very low | 199.4 Ų | 199.4 | 138.8 Ų | 138.8 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -132.3 | 109.2 | 152.7 | -131.8 | -177.8 | -175.4 | -178.6 | 0 | 112.9 | Q1047 | K1045-Q1047 HydrophobicContact CG-CG 4.31Š| ||
| 1046 | A | 24.5 | Very low | 24.1 | Very low | 89.4 Ų | 89.4 | 141 Ų | 141 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | trans | -167.9 | 101.7 | 149 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1047 | Q | 24.8 | Very low | 24 | Very low | 188.6 Ų | 188.6 | 139.3 Ų | 139.3 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | 171 | 110 | 142.8 | -84.5 | 178.5 | -20.7 | 0 | 0 | 111.4 | K1045 | K1045-Q1047 HydrophobicContact CG-CG 4.31Š| ||
| 1048 | A | 21.8 | Very low | 23.9 | Very low | 93.4 Ų | 93.4 | 139.7 Ų | 139.7 | 77% | 0.772 | 80% | 0.804 | S | S | * | * | trans | -126.7 | 138.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1049 | S | 23.7 | Very low | 23.8 | Very low | 123.6 Ų | 123.6 | 139.1 Ų | 139.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 151.7 | 126.1 | 158.5 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1050 | G | 22.5 | Very low | 23.7 | Very low | 67.6 Ų | 67.6 | 136.1 Ų | 136.1 | 70% | 0.697 | 80% | 0.796 | S | S | * | * | trans | 146.4 | 135.7 | 132.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1051 | I | 24.1 | Very low | 23.7 | Very low | 161.6 Ų | 161.6 | 136.2 Ų | 136.2 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 84.9 | 104.4 | 141.1 | -57.4 | 172.4 | 0 | 0 | 0 | 113.7 | G1053 | I1051-G1053 PolarHBondContact O-N 3.3Š| ||
| 1052 | V | 22.3 | Very low | 23.7 | Very low | 143.4 Ų | 143.4 | 139.8 Ų | 139.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | 53.1 | 112.9 | 113.8 | -179.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1053 | G | 24.2 | Very low | 23.6 | Very low | 67.6 Ų | 67.6 | 143.3 Ų | 143.3 | 70% | 0.697 | 80% | 0.796 | S | S | * | * | trans | 166.7 | 133.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1051 | I1051-G1053 PolarHBondContact O-N 3.3Š| ||
| 1054 | P | 29.9 | Very low | 23.5 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -108.5 | 154.2 | -166.5 | 36.9 | -28.4 | 0 | 0 | 0 | 114.9 | M1056 | P1054-M1056 PolarHBondContact O-N 3.2Š| ||
| 1055 | S | 20.3 | Very low | 23.5 | Very low | 106.4 Ų | 106.4 | 132.6 Ų | 132.6 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | 64.8 | 126.6 | 150.8 | -163.7 | 0 | 0 | 0 | 0 | 117.4 | T1057 | S1055-T1057 PolarHBondContact O-N 3.23Å; S1055-T1057 VanDerWaalsContact O-N 3.13Å | ||
| 1056 | M | 20.9 | Very low | 23.6 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | trans | -77.2 | 131.2 | 148.7 | -63.9 | -124.7 | 99.3 | 0 | 0 | 112.3 | P1054 V1058 | P1054-M1056 PolarHBondContact O-N 3.2Å; M1056-V1058 PolarHBondContact O-N 3.5Å | ||
| 1057 | T | 23 | Very low | 23.6 | Very low | 122.4 Ų | 122.4 | 132.4 Ų | 132.4 | 75% | 0.751 | 78% | 0.776 | S | S | * | * | trans | -176.6 | 130.9 | 136.7 | 42.2 | 0 | 0 | 0 | 0 | 112.1 | S1055 D1059 | S1055-T1057 PolarHBondContact O-N 3.23Å; S1055-T1057 VanDerWaalsContact O-N 3.13Å; T1057-D1059 VanDerWaalsContact C-N 3.33Å; T1057-D1059 PolarHBondContact O-N 2.9Å; T1057-D1059 VanDerWaalsContact O-N 3.07Å | ||
| 1058 | V | 23.6 | Very low | 23.7 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | -70.8 | 110.5 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | M1056 | M1056-V1058 PolarHBondContact O-N 3.5Š| ||
| 1059 | D | 21.6 | Very low | 23.9 | Very low | 145.2 Ų | 145.2 | 131 Ų | 131 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -127.5 | 116.6 | 150.9 | -93.7 | -41.5 | 0 | 0 | 0 | 112.1 | T1057 H1061 | T1057-D1059 VanDerWaalsContact C-N 3.33Å; T1057-D1059 PolarHBondContact O-N 2.9Å; T1057-D1059 VanDerWaalsContact O-N 3.07Å; D1059-H1061 PolarHBondContact O-N 3.17Å | ||
| 1060 | T | 23.5 | Very low | 24.1 | Very low | 113.2 Ų | 113.2 | 131.3 Ų | 131.3 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | -75.1 | 94.9 | 170.6 | -31.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1061 | H | 23.9 | Very low | 24.2 | Very low | 164.4 Ų | 164.4 | 134 Ų | 134 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | -162.4 | 58.8 | 170.2 | -94.7 | -73.8 | 0 | 0 | 0 | 115.6 | D1059 | D1059-H1061 PolarHBondContact O-N 3.17Š| ||
| 1062 | M | 24 | Very low | 24.4 | Very low | 161.8 Ų | 161.8 | 131.7 Ų | 131.7 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -147.7 | 52.1 | 159.1 | -108.8 | -163.6 | 81.4 | 0 | 0 | 115.3 | Q1064 S1312 N1313 | M1062-Q1064 VanDerWaalsContact C-N 3.32Å; M1062-Q1064 PolarHBondContact O-N 3.15Å; M1062-S1312 PolarHBondContact N-OG 3.46Å; M1062-S1312 VanDerWaalsContact N-OG 3.12Å; M1062-N1313 PolarHBondContact O-N 2.82Å | ||
| 1063 | Q | 23.8 | Very low | 24.7 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -110 | 38.9 | 171.4 | -143.9 | 100.7 | 23.7 | 0 | 0 | 115.4 | N1313 | Q1063-N1313 VanDerWaalsContact C-ND2 3.33Å; Q1063-N1313 PolarHBondContact O-ND2 2.97Å |
| 1064 | Q | 23.5 | Very low | 25.2 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | -135.2 | 39.8 | 165.7 | -88.9 | -179.5 | -6.8 | 0 | 0 | 116 | M1062 T1266 | M1062-Q1064 VanDerWaalsContact C-N 3.32Å; M1062-Q1064 PolarHBondContact O-N 3.15Å; Q1064-T1266 PolarHBondContact NE2-OG1 2.95Å | ||
| 1065 | A | 24.9 | Very low | 25.4 | Very low | 85.6 Ų | 85.6 | 129.9 Ų | 129.9 | 71% | 0.707 | 71% | 0.71 | S | S | * | * | trans | -115.4 | 36.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1066 | L | 25.3 | Very low | 26.4 | Very low | 158.8 Ų | 158.8 | 127 Ų | 127 | 83% | 0.831 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -114.3 | 83.2 | 163 | -77.4 | 169.3 | 0 | 0 | 0 | 111.8 | F1070 | L1066-F1070 HydrophobicContact CD2-CE2 3.92Å; L1066-F1070 HydrophobicContact CD2-CZ 3.63Å |
| 1067 | N | 25 | Very low | 27.5 | Very low | 125.4 Ų | 125.4 | 127.2 Ų | 127.2 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | trans | -160.1 | 57.8 | 176.3 | -139.9 | 40.1 | 0 | 0 | 0 | 113.1 | F20 N1069 | F20-N1067 WeakPolarHBondContact CD1-ND2 3.48Å; F20-N1067 WeakPolarHBondContact CE1-ND2 3.17Å; F20-N1067 WeakPolarHBondContact CG-ND2 3.42Å; N1067-N1069 PolarHBondContact O-N 3.41Å | ||
| 1068 | N | 25.9 | Very low | 28.9 | Very low | 120.2 Ų | 120.2 | 126.4 Ų | 126.4 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -143.4 | 113.9 | 162.5 | -76.9 | -23.9 | 0 | 0 | 0 | 110.4 | N25 F1070 | N25-N1068 PolarHBondContact ND2-OD1 3.39Å; N1068-F1070 HydrophobicContact CB-CD2 4.07Å; N1068-F1070 WeakPolarHBondContact O-CD2 3.38Å; N1068-F1070 PolarHBondContact O-N 3.18Å; N1068-F1070 WeakPolarHBondContact OD1-CD2 3.43Å; N1068-F1070 WeakPolarHBondContact OD1-CE2 3.24Å |
| 1069 | N | 26.2 | Very low | 30.6 | Very low | 131.6 Ų | 131.6 | 124.2 Ų | 124.2 | 70% | 0.704 | 66% | 0.66 | S | S | * | * | trans | -0.6 | 96.7 | 159.7 | -77 | -2.4 | 0 | 0 | 0 | 113.3 | N1067 N1071 | N1067-N1069 PolarHBondContact O-N 3.41Å; N1069-N1071 PolarHBondContact O-N 3.3Å | ||
| 1070 | F | 26.8 | Very low | 32.8 | Very low | 130.2 Ų | 130.2 | 118.5 Ų | 118.5 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | trans | -76.6 | 77 | 171.7 | -102.5 | -92.2 | 0 | 0 | 0 | 112.3 | S16 F20 L1066 N1068 I1072 | S16-F1070 WeakPolarHBondContact OG-CD2 3.04Å; F20-F1070 HydrophobicContact CE2-CE2 4.22Å; L1066-F1070 HydrophobicContact CD2-CE2 3.92Å; L1066-F1070 HydrophobicContact CD2-CZ 3.63Å; N1068-F1070 HydrophobicContact CB-CD2 4.07Å; N1068-F1070 WeakPolarHBondContact O-CD2 3.38Å; N1068-F1070 PolarHBondContact O-N 3.18Å; N1068-F1070 WeakPolarHBondContact OD1-CD2 3.43Å; N1068-F1070 WeakPolarHBondContact OD1-CE2 3.24Å; F1070-I1072 HydrophobicContact CB-CG1 4.05Å; F1070-I1072 HydrophobicContact CD1-CB 4.5Å; F1070-I1072 HydrophobicContact CD1-CD1 3.76Å; F1070-I1072 HydrophobicContact CD1-CG1 3.62Å; F1070-I1072 VanDerWaalsContact CD1-CG1 3.5Å; F1070-I1072 HydrophobicContact CE1-CD1 3.23Å; F1070-I1072 HydrophobicContact CE1-CG1 3.82Å; F1070-I1072 HydrophobicContact CG-CG1 4.25Å; F1070-I1072 PolarHBondContact O-N 3.26Å | ||
| 1071 | N | 25.6 | Very low | 35.2 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 66% | 0.663 | 62% | 0.616 | S | S | * | * | trans | -87.8 | 87.4 | 154.2 | -105.5 | -21.8 | 0 | 0 | 0 | 108.5 | N1069 S1073 N1252 L1255 | N1069-N1071 PolarHBondContact O-N 3.3Å; N1071-S1073 VanDerWaalsContact C-N 3.28Å; N1071-S1073 PolarHBondContact O-N 3.38Å; N1071-S1073 VanDerWaalsContact O-N 3.15Å; N1071-S1073 PolarHBondContact O-OG 3.48Å; N1071-N1252 WeakPolarHBondContact OD1-CA 3.45Å; N1071-N1252 VanDerWaalsContact OD1-CB 3.24Å; N1071-N1252 WeakPolarHBondContact OD1-CB 3.34Å; N1071-N1252 PolarHBondContact OD1-OD1 3.45Å; N1071-L1255 WeakPolarHBondContact ND2-CB 2.92Å; N1071-L1255 VanDerWaalsContact ND2-CD1 3.29Å; N1071-L1255 WeakPolarHBondContact ND2-CD1 3.36Å | ||
| 1072 | I | 28.2 | Very low | 37.7 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 59% | 0.585 | 61% | 0.611 | S | S | * | * | trans | -74.4 | 90.7 | 169 | -57.9 | 178.5 | 0 | 0 | 0 | 107.3 | F1070 I1074 Y1249 | F1070-I1072 HydrophobicContact CB-CG1 4.05Å; F1070-I1072 HydrophobicContact CD1-CB 4.5Å; F1070-I1072 HydrophobicContact CD1-CD1 3.76Å; F1070-I1072 HydrophobicContact CD1-CG1 3.62Å; F1070-I1072 VanDerWaalsContact CD1-CG1 3.5Å; F1070-I1072 HydrophobicContact CE1-CD1 3.23Å; F1070-I1072 HydrophobicContact CE1-CG1 3.82Å; F1070-I1072 HydrophobicContact CG-CG1 4.25Å; F1070-I1072 PolarHBondContact O-N 3.26Å; I1072-I1074 VanDerWaalsContact C-N 3.27Å; I1072-I1074 HydrophobicContact CG2-CD1 4.39Å; I1072-I1074 HydrophobicContact CG2-CG1 3.69Å; I1072-I1074 PolarHBondContact O-N 3.19Å; I1072-I1074 VanDerWaalsContact O-N 3.14Å; I1072-Y1249 HydrophobicContact CD1-CE1 3.88Å; I1072-Y1249 HydrophobicContact CG1-CE1 4.14Å | ||
| 1073 | S | 28.6 | Very low | 40.3 | Very low | 102.2 Ų | 102.2 | 108 Ų | 108 | 72% | 0.715 | 57% | 0.574 | S | S | * | * | trans | -69.8 | 95.5 | 162.3 | 0.8 | 0 | 0 | 0 | 0 | 107.1 | N1071 P1075 | N1071-S1073 VanDerWaalsContact C-N 3.28Å; N1071-S1073 PolarHBondContact O-N 3.38Å; N1071-S1073 VanDerWaalsContact O-N 3.15Å; N1071-S1073 PolarHBondContact O-OG 3.48Å; S1073-P1075 VanDerWaalsContact O-CD 3.26Å; S1073-P1075 WeakPolarHBondContact O-CD 3.38Å; S1073-P1075 VanDerWaalsContact O-N 3.1Å | ||
| 1074 | I | 35.1 | Very low | 42.8 | Very low | 85.4 Ų | 85.4 | 103 Ų | 103 | 44% | 0.438 | 56% | 0.557 | S | S | . | * | trans | -60.9 | 118.5 | 171 | -59.9 | 172.3 | 0 | 0 | 0 | 106.6 | I1072 M1076 N1221 V1224 | I1072-I1074 VanDerWaalsContact C-N 3.27Å; I1072-I1074 HydrophobicContact CG2-CD1 4.39Å; I1072-I1074 HydrophobicContact CG2-CG1 3.69Å; I1072-I1074 PolarHBondContact O-N 3.19Å; I1072-I1074 VanDerWaalsContact O-N 3.14Å; I1074-M1076 HydrophobicContact CG2-CE 4.47Å; I1074-M1076 PolarHBondContact O-N 3.13Å; I1074-N1221 HydrophobicContact CD1-CB 4.4Å; I1074-V1224 HydrophobicContact CD1-CG2 4.24Å | ||
| 1075 | P | 33.1 | Very low | 45.1 | Very low | 110.4 Ų | 110.4 | 97.3 Ų | 97.3 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | trans | -63 | 114.8 | 176.8 | -10.6 | 20.6 | 0 | 0 | 0 | 109.1 | S1073 E1077 | S1073-P1075 VanDerWaalsContact O-CD 3.26Å; S1073-P1075 WeakPolarHBondContact O-CD 3.38Å; S1073-P1075 VanDerWaalsContact O-N 3.1Å; P1075-E1077 VanDerWaalsContact C-N 3.28Å; P1075-E1077 PolarHBondContact O-N 3.05Å; P1075-E1077 VanDerWaalsContact O-N 3.14Å | ||
| 1076 | M | 42.9 | Very low | 46.8 | Very low | 47 Ų | 47 | 98.3 Ų | 98.3 | 23% | 0.232 | 53% | 0.526 | C | S | . | . | trans | -79.8 | 96.6 | 176.7 | -79.6 | -97.3 | 58.8 | 0 | 0 | 109.3 | I1074 H1078 P1080 V1224 Y1260 | I1074-M1076 HydrophobicContact CG2-CE 4.47Å; I1074-M1076 PolarHBondContact O-N 3.13Å; M1076-H1078 VanDerWaalsContact C-N 3.29Å; M1076-H1078 VanDerWaalsContact CE-O 3.22Å; M1076-H1078 WeakPolarHBondContact CE-O 3.42Å; M1076-H1078 PolarHBondContact O-N 3.13Å; M1076-H1078 VanDerWaalsContact O-N 3.13Å; M1076-P1080 HydrophobicContact CE-CB 3.71Å; M1076-P1080 VanDerWaalsContact CE-CD 3.46Å; M1076-P1080 HydrophobicContact CE-CG 3.88Å; M1076-V1224 HydrophobicContact CE-CB 3.87Å; M1076-V1224 HydrophobicContact CE-CG1 3.9Å; M1076-V1224 HydrophobicContact CE-CG2 3.83Å; M1076-V1224 VanDerWaalsContact CE-O 3.26Å; M1076-V1224 WeakPolarHBondContact CE-O 3.32Å; M1076-V1224 HydrophobicContact CG-CG1 3.95Å; M1076-V1224 HydrophobicContact CG-CG2 3.99Å; M1076-V1224 HydrophobicContact SD-CB 4.21Å; M1076-V1224 HydrophobicContact SD-CG1 3.75Å; M1076-V1224 VanDerWaalsContact SD-CG1 3.54Å; M1076-V1224 HydrophobicContact SD-CG2 4.06Å; M1076-V1224 VanDerWaalsContact SD-O 3.41Å; M1076-Y1260 HydrophobicContact CB-CD2 4.25Å; M1076-Y1260 HydrophobicContact CB-CE2 4.43Å | ||
| 1077 | E | 43.5 | Very low | 47.8 | Very low | 170.6 Ų | 170.6 | 96.7 Ų | 96.7 | 80% | 0.797 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -65.1 | -21.4 | 174.6 | -74.8 | -153.2 | 144.5 | 0 | 0 | 113 | P1075 | P1075-E1077 VanDerWaalsContact C-N 3.28Å; P1075-E1077 PolarHBondContact O-N 3.05Å; P1075-E1077 VanDerWaalsContact O-N 3.14Å |
| 1078 | H | 52.8 | Low | 48.9 | Very low | 105 Ų | 105 | 96.4 Ų | 96.4 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -136.1 | 147 | -175.7 | -62.9 | -34.8 | 0 | 0 | 0 | 111.8 | M1076 H1177 | M1076-H1078 VanDerWaalsContact C-N 3.29Å; M1076-H1078 VanDerWaalsContact CE-O 3.22Å; M1076-H1078 WeakPolarHBondContact CE-O 3.42Å; M1076-H1078 PolarHBondContact O-N 3.13Å; M1076-H1078 VanDerWaalsContact O-N 3.13Å; H1078-H1177 AromaticContact CD2-CE1 3.57Å; H1078-H1177 AromaticContact NE2-CE1 3.75Å; H1078-H1177 AromaticContact NE2-NE2 3.82Å |
| 1079 | P | 59.2 | Low | 50 | Low | 78.2 Ų | 78.2 | 95 Ų | 95 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 139.8 | 173.9 | 23.2 | -32.2 | 0 | 0 | 0 | 111.3 | M1081 Y1260 | P1079-M1081 PolarHBondContact O-N 2.95Å; P1079-Y1260 WeakPolarHBondContact CA-OH 3.41Å; P1079-Y1260 HydrophobicContact CB-CE1 3.97Å; P1079-Y1260 WeakPolarHBondContact CB-OH 3.4Å |
| 1080 | P | 67.1 | Low | 51.4 | Low | 26 Ų | 26 | 90.8 Ų | 90.8 | 17% | 0.169 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 132.9 | 178.2 | 27 | -30.4 | 0 | 0 | 0 | 110 | M1076 H1225 V1257 Y1260 | M1076-P1080 HydrophobicContact CE-CB 3.71Å; M1076-P1080 VanDerWaalsContact CE-CD 3.46Å; M1076-P1080 HydrophobicContact CE-CG 3.88Å; P1080-H1225 CarbonylContact C-O 3.47Å; P1080-H1225 VanDerWaalsContact CA-O 3.28Å; P1080-H1225 WeakPolarHBondContact CA-O 3.39Å; P1080-V1257 HydrophobicContact CB-CG2 4.33Å; P1080-V1257 HydrophobicContact CG-CG1 4.42Å; P1080-V1257 HydrophobicContact CG-CG2 4.46Å; P1080-Y1260 HydrophobicContact CG-CD1 3.96Å; P1080-Y1260 HydrophobicContact CG-CE1 4.25Å; P1080-Y1260 HydrophobicContact CG-CG 4.1Å |
| 1081 | M | 74.8 | Confident | 52.7 | Low | 77.8 Ų | 77.8 | 91.5 Ų | 91.5 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -88.8 | 148.6 | -176.2 | -106.6 | 173 | -70.5 | 0 | 0 | 111.3 | P1079 T1176 M1181 H1225 F1226 S1227 | P1079-M1081 PolarHBondContact O-N 2.95Å; M1081-T1176 HydrophobicContact CE-CG2 4.18Å; M1081-M1181 HydrophobicContact CB-CE 3.91Å; M1081-M1181 VanDerWaalsContact CB-CE 3.41Å; M1081-M1181 HydrophobicContact CB-SD 4.36Å; M1081-M1181 HydrophobicContact CE-CE 3.67Å; M1081-M1181 HydrophobicContact CE-SD 4.34Å; M1081-M1181 HydrophobicContact CG-CE 4.11Å; M1081-M1181 HydrophobicContact CG-CG 4.49Å; M1081-M1181 HydrophobicContact CG-SD 4.14Å; M1081-M1181 HydrophobicContact SD-CE 3.76Å; M1081-M1181 WeakPolarHBondContact SD-CE 3.18Å; M1081-M1181 HydrophobicContact SD-CG 3.57Å; M1081-M1181 VanDerWaalsContact SD-CG 3.56Å; M1081-M1181 WeakPolarHBondContact SD-CG 3.44Å; M1081-M1181 HydrophobicContact SD-SD 3.68Å; M1081-H1225 PolarHBondContact N-O 3.08Å; M1081-F1226 HydrophobicContact CB-CD1 4.47Å; M1081-F1226 CarbonylContact O-C 3.59Å; M1081-F1226 VanDerWaalsContact O-CA 3.27Å; M1081-F1226 WeakPolarHBondContact O-CA 3.4Å; M1081-S1227 PolarHBondContact O-N 3.13Å; M1081-S1227 VanDerWaalsContact O-N 3.1Å |
| 1082 | E | 75.7 | Confident | 54.3 | Low | 138.2 Ų | 138.2 | 88.6 Ų | 88.6 | 65% | 0.646 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 126.6 | 179.7 | -166 | 175.5 | 178 | 0 | 0 | 111.3 | M1181 S1227 N1228 | E1082-M1181 VanDerWaalsContact O-CE 3.3Å; E1082-M1181 WeakPolarHBondContact O-CE 3.42Å; E1082-S1227 WeakPolarHBondContact CA-OG 3.44Å; E1082-N1228 WeakPolarHBondContact CA-OD1 3.42Å; E1082-N1228 VanDerWaalsContact CG-ND2 3.26Å; E1082-N1228 WeakPolarHBondContact CG-ND2 3.48Å |
| 1083 | L | 78.9 | Confident | 55.6 | Low | 3.6 Ų | 3.6 | 90.4 Ų | 90.4 | 2% | 0.019 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 139 | 175.6 | -67.3 | 171.1 | 0 | 0 | 0 | 110.8 | F1085 M1181 L1184 S1185 W1188 F1226 N1228 L1229 | L1083-F1085 HydrophobicContact CB-CD1 4.33Å; L1083-F1085 HydrophobicContact CB-CE1 3.82Å; L1083-F1085 HydrophobicContact CB-CE2 4.12Å; L1083-F1085 HydrophobicContact CB-CZ 3.58Å; L1083-F1085 HydrophobicContact CD1-CE1 4.17Å; L1083-F1085 HydrophobicContact CD1-CZ 3.82Å; L1083-F1085 HydrophobicContact CG-CE1 4.48Å; L1083-F1085 HydrophobicContact CG-CZ 4.37Å; L1083-F1085 PolarHBondContact O-N 3.32Å; L1083-M1181 HydrophobicContact CD2-CE 3.65Å; L1083-M1181 VanDerWaalsContact CD2-CE 3.44Å; L1083-M1181 HydrophobicContact CD2-SD 4.29Å; L1083-M1181 HydrophobicContact CG-CE 4.12Å; L1083-L1184 HydrophobicContact CD2-CB 4.09Å; L1083-S1185 WeakPolarHBondContact CD2-OG 3.43Å; L1083-W1188 HydrophobicContact CD1-CB 4.02Å; L1083-W1188 VanDerWaalsContact CD1-CD1 3.48Å; L1083-W1188 HydrophobicContact CD1-CG 3.85Å; L1083-F1226 HydrophobicContact CD1-CB 3.96Å; L1083-F1226 HydrophobicContact CD1-CD1 3.76Å; L1083-F1226 HydrophobicContact CD1-CD2 4.04Å; L1083-F1226 HydrophobicContact CD1-CE1 4.25Å; L1083-F1226 HydrophobicContact CD1-CE2 4.48Å; L1083-F1226 HydrophobicContact CD1-CG 3.63Å; L1083-F1226 HydrophobicContact CD2-CD1 3.73Å; L1083-F1226 HydrophobicContact CD2-CE1 3.71Å; L1083-F1226 HydrophobicContact CD2-CG 4.36Å; L1083-F1226 HydrophobicContact CD2-CZ 4.36Å; L1083-F1226 HydrophobicContact CG-CB 4.24Å; L1083-F1226 HydrophobicContact CG-CD1 3.56Å; L1083-F1226 HydrophobicContact CG-CE1 4.08Å; L1083-F1226 HydrophobicContact CG-CG 3.93Å; L1083-N1228 PolarHBondContact N-OD1 3.06Å; L1083-N1228 VanDerWaalsContact N-OD1 3.1Å; L1083-N1228 PolarHBondContact O-ND2 3.26Å; L1083-L1229 HydrophobicContact CD1-CB 4.26Å; L1083-L1229 HydrophobicContact CD1-CD1 4.41Å; L1083-L1229 HydrophobicContact CD1-CD2 4.4Å |
| 1084 | S | 74.9 | Confident | 57.3 | Low | 59.8 Ų | 59.8 | 87.4 Ų | 87.4 | 42% | 0.418 | 46% | 0.456 | S | S | . | . | trans | -91.3 | 107.8 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | V1086 N1087 S1185 R1189 | S1084-V1086 PolarHBondContact O-N 3.32Å; S1084-N1087 PolarHBondContact OG-ND2 3.01Å; S1084-S1185 PolarHBondContact N-OG 3.21Å; S1084-S1185 WeakPolarHBondContact O-CB 3.33Å; S1084-R1189 PolarHBondContact O-NE 3.2Å; S1084-R1189 PolarHBondContact O-NH2 3.1Å | ||
| 1085 | F | 73.2 | Confident | 58.9 | Low | 49.4 Ų | 49.4 | 86.7 Ų | 86.7 | 22% | 0.217 | 46% | 0.459 | C | S | . | . | trans | -95.6 | 11.7 | 178.4 | -56.2 | -53.5 | 0 | 0 | 0 | 114.4 | L1083 N1087 W1188 R1189 L1192 N1228 L1229 C1232 | L1083-F1085 HydrophobicContact CB-CD1 4.33Å; L1083-F1085 HydrophobicContact CB-CE1 3.82Å; L1083-F1085 HydrophobicContact CB-CE2 4.12Å; L1083-F1085 HydrophobicContact CB-CZ 3.58Å; L1083-F1085 HydrophobicContact CD1-CE1 4.17Å; L1083-F1085 HydrophobicContact CD1-CZ 3.82Å; L1083-F1085 HydrophobicContact CG-CE1 4.48Å; L1083-F1085 HydrophobicContact CG-CZ 4.37Å; L1083-F1085 PolarHBondContact O-N 3.32Å; F1085-N1087 PolarHBondContact O-N 3.33Å; F1085-W1188 HydrophobicContact CE1-CB 4.01Å; F1085-W1188 HydrophobicContact CZ-CB 4.48Å; F1085-R1189 VanDerWaalsContact C-NH1 3.31Å; F1085-R1189 VanDerWaalsContact CA-NH2 3.33Å; F1085-R1189 HydrophobicContact CB-CG 4.26Å; F1085-R1189 HydrophobicContact CD1-CB 4.2Å; F1085-R1189 HydrophobicContact CD1-CG 4.19Å; F1085-R1189 VanDerWaalsContact O-CZ 3.31Å; F1085-R1189 PolarHBondContact O-NH1 3.15Å; F1085-R1189 PolarHBondContact O-NH2 3.42Å; F1085-L1192 HydrophobicContact CD1-CD1 4.07Å; F1085-L1192 HydrophobicContact CD2-CD1 4.43Å; F1085-L1192 HydrophobicContact CE1-CD1 3.62Å; F1085-L1192 VanDerWaalsContact CE1-CD1 3.48Å; F1085-L1192 HydrophobicContact CE2-CD1 4.11Å; F1085-L1192 HydrophobicContact CG-CD1 4.42Å; F1085-L1192 HydrophobicContact CZ-CD1 3.64Å; F1085-N1228 HydrophobicContact CE2-CB 4.47Å; F1085-N1228 WeakPolarHBondContact CE2-ND2 3.31Å; F1085-L1229 HydrophobicContact CZ-CD1 4.3Å; F1085-C1232 HydrophobicContact CE2-CB 4.47Å | ||
| 1086 | V | 58.9 | Low | 60.7 | Low | 106.4 Ų | 106.4 | 90.2 Ų | 90.2 | 65% | 0.645 | 46% | 0.463 | S | S | * | . | trans | -75.9 | 92.5 | -178 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | S1084 E1088 R1189 | S1084-V1086 PolarHBondContact O-N 3.32Å; V1086-E1088 PolarHBondContact O-N 3.22Å; V1086-R1189 VanDerWaalsContact C-NH1 3.3Å; V1086-R1189 VanDerWaalsContact O-CD 3.27Å; V1086-R1189 WeakPolarHBondContact O-CD 3.47Å; V1086-R1189 VanDerWaalsContact O-CZ 3.28Å; V1086-R1189 PolarHBondContact O-NE 2.84Å; V1086-R1189 VanDerWaalsContact O-NE 3.14Å; V1086-R1189 PolarHBondContact O-NH1 3.26Å; V1086-R1189 PolarHBondContact O-NH2 3.08Å | ||
| 1087 | N | 47.5 | Very low | 62 | Low | 125.6 Ų | 125.6 | 95.7 Ų | 95.7 | 67% | 0.672 | 49% | 0.488 | S | S | * | . | trans | -71.9 | 103.9 | -175 | -73 | -26.7 | 0 | 0 | 0 | 113.9 | S1084 F1085 R1189 | S1084-N1087 PolarHBondContact OG-ND2 3.01Å; F1085-N1087 PolarHBondContact O-N 3.33Å; N1087-R1189 PolarHBondContact O-NE 2.81Å; N1087-R1189 PolarHBondContact O-NH1 3.45Å; N1087-R1189 PolarHBondContact O-NH2 3.19Å; N1087-R1189 PolarHBondContact OD1-NH1 2.93Å; N1087-R1189 VanDerWaalsContact OD1-NH1 3.08Å | ||
| 1088 | E | 47.6 | Very low | 63.3 | Low | 119.2 Ų | 119.2 | 88.3 Ų | 88.3 | 56% | 0.557 | 46% | 0.456 | S | S | * | . | trans | -77.1 | 138.1 | 167.1 | -96.6 | -176 | 170.4 | 0 | 0 | 111 | V1086 I1090 R1182 | V1086-E1088 PolarHBondContact O-N 3.22Å; E1088-I1090 PolarHBondContact O-N 3.21Å; E1088-R1182 IonicContact OE2-CZ 3.84Å; E1088-R1182 IonicContact OE2-NE 2.72Å; E1088-R1182 IonicContact OE2-NH1 3.83Å; E1088-R1182 PolarHBondContact OE2-NH1 2.8Å; E1088-R1182 IonicContact OE2-NH2 3.98Å; E1088-R1182 PolarHBondContact OE2-NH2 2.86Å | ||
| 1089 | P | 50 | Low | 64.3 | Low | 89.8 Ų | 89.8 | 87.3 Ų | 87.3 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | trans | -63.6 | 132.8 | 178.6 | 25.6 | -33 | 0 | 0 | 0 | 111.3 | K1091 | P1089-K1091 VanDerWaalsContact C-N 3.33Å; P1089-K1091 PolarHBondContact O-N 3.2Å; P1089-K1091 VanDerWaalsContact O-N 3.16Å | ||
| 1090 | I | 54.6 | Low | 65.2 | Low | 44.2 Ų | 44.2 | 86.1 Ų | 86.1 | 23% | 0.227 | 45% | 0.448 | C | S | . | . | trans | -69 | 101.3 | -178.2 | -58.1 | 169.3 | 0 | 0 | 0 | 108.8 | E1088 I1092 R1143 A1146 D1147 M1186 | E1088-I1090 PolarHBondContact O-N 3.21Å; I1090-I1092 HydrophobicContact CG2-CG1 4.3Å; I1090-I1092 PolarHBondContact O-N 3.01Å; I1090-I1092 VanDerWaalsContact O-N 3.16Å; I1090-R1143 HydrophobicContact CG2-CB 4.02Å; I1090-R1143 HydrophobicContact CG2-CG 4.32Å; I1090-A1146 HydrophobicContact CD1-CB 3.9Å; I1090-D1147 HydrophobicContact CD1-CB 4.3Å; I1090-D1147 HydrophobicContact CG2-CB 4.35Å; I1090-M1186 HydrophobicContact CD1-CB 3.93Å; I1090-M1186 HydrophobicContact CD1-CG 4.04Å; I1090-M1186 HydrophobicContact CD1-SD 3.97Å; I1090-M1186 WeakPolarHBondContact CD1-SD 3.39Å; I1090-M1186 HydrophobicContact CG1-CG 4.22Å; I1090-M1186 HydrophobicContact CG1-SD 4.36Å; I1090-M1186 HydrophobicContact CG2-SD 4.15Å | ||
| 1091 | K | 54 | Low | 65.9 | Low | 144.6 Ų | 144.6 | 89.6 Ų | 89.6 | 63% | 0.629 | 46% | 0.462 | S | S | * | . | trans | -72.5 | 110.7 | 173.7 | -70.3 | -180 | -177.2 | 173.6 | 0 | 109.6 | E663 P1089 Q1093 R1143 | E663-K1091 IonicContact OE2-NZ 2.85Å; E663-K1091 PolarHBondContact OE2-NZ 2.87Å; P1089-K1091 VanDerWaalsContact C-N 3.33Å; P1089-K1091 PolarHBondContact O-N 3.2Å; P1089-K1091 VanDerWaalsContact O-N 3.16Å; K1091-Q1093 HydrophobicContact CB-CG 4.15Å; K1091-Q1093 PolarHBondContact O-N 3.22Å; K1091-R1143 PolarHBondContact O-NH1 3.01Å | ||
| 1092 | I | 59.4 | Low | 66.1 | Low | 64.2 Ų | 64.2 | 85.9 Ų | 85.9 | 33% | 0.329 | 44% | 0.444 | S | S | . | . | trans | -74.5 | 107.9 | 173 | -55.8 | 173 | 0 | 0 | 0 | 107.7 | I1090 L1094 R1143 M1144 D1147 | I1090-I1092 HydrophobicContact CG2-CG1 4.3Å; I1090-I1092 PolarHBondContact O-N 3.01Å; I1090-I1092 VanDerWaalsContact O-N 3.16Å; I1092-L1094 HydrophobicContact CG2-CB 4.35Å; I1092-L1094 HydrophobicContact CG2-CD1 3.75Å; I1092-L1094 VanDerWaalsContact CG2-CD1 3.41Å; I1092-L1094 HydrophobicContact CG2-CG 3.91Å; I1092-R1143 HydrophobicContact CG1-CB 4.36Å; I1092-M1144 HydrophobicContact CD1-CG 4.12Å; I1092-M1144 HydrophobicContact CG2-CG 4.42Å; I1092-D1147 HydrophobicContact CD1-CB 4.1Å | ||
| 1093 | Q | 56.2 | Low | 66.4 | Low | 151.2 Ų | 151.2 | 82.7 Ų | 82.7 | 71% | 0.707 | 43% | 0.432 | S | S | * | . | trans | -122.6 | 84.7 | 172.7 | -78.8 | 170.4 | -8.9 | 0 | 0 | 108.6 | D659 K1091 | D659-Q1093 PolarHBondContact OD2-NE2 3.29Å; D659-Q1093 VanDerWaalsContact OD2-NE2 3.12Å; D659-Q1093 PolarHBondContact OD2-OE1 3.13Å; K1091-Q1093 HydrophobicContact CB-CG 4.15Å; K1091-Q1093 PolarHBondContact O-N 3.22Å | ||
| 1094 | L | 62.9 | Low | 66.7 | Low | 37.8 Ų | 37.8 | 85.4 Ų | 85.4 | 20% | 0.198 | 45% | 0.448 | C | S | . | . | trans | -101.5 | 159.7 | 173.3 | -87.9 | 98.8 | 0 | 0 | 0 | 110 | I1092 A1098 E1099 A1102 G1140 M1144 | I1092-L1094 HydrophobicContact CG2-CB 4.35Å; I1092-L1094 HydrophobicContact CG2-CD1 3.75Å; I1092-L1094 VanDerWaalsContact CG2-CD1 3.41Å; I1092-L1094 HydrophobicContact CG2-CG 3.91Å; L1094-A1098 HydrophobicContact CB-CB 4.27Å; L1094-A1098 HydrophobicContact CD2-CB 4Å; L1094-A1098 HydrophobicContact CG-CB 4.12Å; L1094-E1099 HydrophobicContact CB-CB 4.14Å; L1094-E1099 HydrophobicContact CB-CG 3.61Å; L1094-E1099 HydrophobicContact CD2-CG 4.46Å; L1094-A1102 HydrophobicContact CD2-CB 4.22Å; L1094-G1140 VanDerWaalsContact CD1-CA 3.42Å; L1094-G1140 VanDerWaalsContact CD2-CA 3.48Å; L1094-M1144 HydrophobicContact CD1-CE 4.37Å; L1094-M1144 HydrophobicContact CD1-CG 4.26Å; L1094-M1144 HydrophobicContact CD1-SD 3.75Å | ||
| 1095 | S | 68.6 | Low | 67 | Low | 71.4 Ų | 71.4 | 83.4 Ų | 83.4 | 50% | 0.499 | 43% | 0.432 | S | S | . | . | trans | -72.3 | 149.1 | 163.9 | 56 | 0 | 0 | 0 | 0 | 109.2 | E1097 A1098 E1099 | S1095-E1097 PolarHBondContact O-N 3.05Å; S1095-E1097 VanDerWaalsContact O-N 3.13Å; S1095-A1098 CarbonylContact O-C 3.55Å; S1095-A1098 WeakPolarHBondContact O-CA 3.44Å; S1095-A1098 PolarHBondContact O-N 3.29Å; S1095-A1098 VanDerWaalsContact OG-CB 3.27Å; S1095-A1098 WeakPolarHBondContact OG-CB 3.41Å; S1095-A1098 PolarHBondContact OG-N 3.29Å; S1095-E1099 VanDerWaalsContact O-CB 3.32Å; S1095-E1099 WeakPolarHBondContact O-CB 3.36Å; S1095-E1099 PolarHBondContact O-N 3.05Å | ||
| 1096 | K | 72.2 | Confident | 67.5 | Low | 184.4 Ų | 184.4 | 81.9 Ų | 81.9 | 80% | 0.802 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -52.5 | -32.9 | 179.6 | -68.2 | -172.4 | 176 | -173.3 | 0 | 113.6 | A1100 | K1096-A1100 WeakPolarHBondContact O-CB 3.38Å; K1096-A1100 PolarHBondContact O-N 3.1Å; K1096-A1100 VanDerWaalsContact O-N 3.11Å |
| 1097 | E | 70.5 | Confident | 68.5 | Low | 162 Ų | 162 | 81.9 Ų | 81.9 | 76% | 0.757 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.2 | -45 | 176.2 | -133.5 | 171.1 | -172 | 0 | 0 | 112 | S1095 E1099 A1100 E1101 | S1095-E1097 PolarHBondContact O-N 3.05Å; S1095-E1097 VanDerWaalsContact O-N 3.13Å; E1097-E1099 VanDerWaalsContact C-N 3.3Å; E1097-E1099 PolarHBondContact O-N 2.84Å; E1097-A1100 PolarHBondContact O-N 3.13Å; E1097-E1101 PolarHBondContact O-N 3.13Å; E1097-E1101 VanDerWaalsContact O-N 3.09Å |
| 1098 | A | 70.5 | Confident | 70.2 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 12% | 0.124 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.7 | -32.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1094 S1095 E1101 A1102 L1137 | L1094-A1098 HydrophobicContact CB-CB 4.27Å; L1094-A1098 HydrophobicContact CD2-CB 4Å; L1094-A1098 HydrophobicContact CG-CB 4.12Å; S1095-A1098 CarbonylContact O-C 3.55Å; S1095-A1098 WeakPolarHBondContact O-CA 3.44Å; S1095-A1098 PolarHBondContact O-N 3.29Å; S1095-A1098 VanDerWaalsContact OG-CB 3.27Å; S1095-A1098 WeakPolarHBondContact OG-CB 3.41Å; S1095-A1098 PolarHBondContact OG-N 3.29Å; A1098-E1101 PolarHBondContact O-N 3.13Å; A1098-A1102 VanDerWaalsContact O-CB 3.27Å; A1098-A1102 WeakPolarHBondContact O-CB 3.38Å; A1098-A1102 PolarHBondContact O-N 3.36Å; A1098-L1137 HydrophobicContact CB-CD1 4.17Å; A1098-L1137 VanDerWaalsContact O-CD1 3.31Å; A1098-L1137 WeakPolarHBondContact O-CD1 3.41Å |
| 1099 | E | 74 | Confident | 71.7 | Confident | 84.6 Ų | 84.6 | 74.7 Ų | 74.7 | 40% | 0.395 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 171.9 | -138.6 | 177.3 | -179.6 | 0 | 0 | 111 | L1094 S1095 E1097 E1101 A1102 N1103 | L1094-E1099 HydrophobicContact CB-CB 4.14Å; L1094-E1099 HydrophobicContact CB-CG 3.61Å; L1094-E1099 HydrophobicContact CD2-CG 4.46Å; S1095-E1099 VanDerWaalsContact O-CB 3.32Å; S1095-E1099 WeakPolarHBondContact O-CB 3.36Å; S1095-E1099 PolarHBondContact O-N 3.05Å; E1097-E1099 VanDerWaalsContact C-N 3.3Å; E1097-E1099 PolarHBondContact O-N 2.84Å; E1099-E1101 PolarHBondContact O-N 3.46Å; E1099-A1102 PolarHBondContact O-N 2.91Å; E1099-N1103 VanDerWaalsContact O-CB 3.29Å; E1099-N1103 WeakPolarHBondContact O-CB 3.41Å; E1099-N1103 PolarHBondContact O-N 3.16Å; E1099-N1103 PolarHBondContact O-ND2 2.97Å; E1099-N1103 VanDerWaalsContact O-ND2 3.13Å |
| 1100 | A | 78.5 | Confident | 73 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1096 E1097 N1103 T1104 | K1096-A1100 WeakPolarHBondContact O-CB 3.38Å; K1096-A1100 PolarHBondContact O-N 3.1Å; K1096-A1100 VanDerWaalsContact O-N 3.11Å; E1097-A1100 PolarHBondContact O-N 3.13Å; A1100-N1103 PolarHBondContact O-N 3.1Å; A1100-T1104 WeakPolarHBondContact O-CB 3.43Å; A1100-T1104 VanDerWaalsContact O-CG2 3.29Å; A1100-T1104 WeakPolarHBondContact O-CG2 3.36Å; A1100-T1104 PolarHBondContact O-N 3.04Å; A1100-T1104 PolarHBondContact O-OG1 3.01Å |
| 1101 | E | 80.5 | Confident | 74.1 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 177.4 | -168.2 | 176.5 | -175.9 | 0 | 0 | 112 | E1097 A1098 E1099 N1103 T1104 F1105 L1137 | E1097-E1101 PolarHBondContact O-N 3.13Å; E1097-E1101 VanDerWaalsContact O-N 3.09Å; A1098-E1101 PolarHBondContact O-N 3.13Å; E1099-E1101 PolarHBondContact O-N 3.46Å; E1101-N1103 PolarHBondContact O-N 2.81Å; E1101-T1104 WeakPolarHBondContact O-CB 3.38Å; E1101-T1104 PolarHBondContact O-N 3.15Å; E1101-T1104 PolarHBondContact O-OG1 2.95Å; E1101-F1105 PolarHBondContact O-N 3.16Å; E1101-L1137 HydrophobicContact CB-CD1 3.92Å; E1101-L1137 HydrophobicContact CB-CD2 4.4Å; E1101-L1137 HydrophobicContact CG-CD1 4.11Å; E1101-L1137 HydrophobicContact CG-CD2 3.84Å; E1101-L1137 WeakPolarHBondContact OE1-CD2 3.38Å; E1101-L1137 WeakPolarHBondContact OE2-CD2 3.33Å |
| 1102 | A | 79.7 | Confident | 74.9 | Confident | 0.2 Ų | 0.2 | 72.6 Ų | 72.6 | 0% | 0.002 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1094 A1098 E1099 T1104 F1105 F1106 L1137 I1141 M1144 | L1094-A1102 HydrophobicContact CD2-CB 4.22Å; A1098-A1102 VanDerWaalsContact O-CB 3.27Å; A1098-A1102 WeakPolarHBondContact O-CB 3.38Å; A1098-A1102 PolarHBondContact O-N 3.36Å; E1099-A1102 PolarHBondContact O-N 2.91Å; A1102-T1104 VanDerWaalsContact C-N 3.28Å; A1102-T1104 PolarHBondContact O-N 3.06Å; A1102-F1105 WeakPolarHBondContact O-CA 3.49Å; A1102-F1105 VanDerWaalsContact O-CB 3.27Å; A1102-F1105 WeakPolarHBondContact O-CB 3.4Å; A1102-F1105 PolarHBondContact O-N 3.02Å; A1102-F1105 VanDerWaalsContact O-N 3.12Å; A1102-F1106 WeakPolarHBondContact O-CD2 3.31Å; A1102-F1106 PolarHBondContact O-N 3.18Å; A1102-F1106 VanDerWaalsContact O-N 3.07Å; A1102-L1137 HydrophobicContact CB-CD1 4.2Å; A1102-I1141 HydrophobicContact CB-CG1 3.85Å; A1102-M1144 HydrophobicContact CB-CE 3.64Å; A1102-M1144 VanDerWaalsContact CB-CE 3.48Å; A1102-M1144 HydrophobicContact CB-SD 3.57Å; A1102-M1144 VanDerWaalsContact CB-SD 3.57Å; A1102-M1144 WeakPolarHBondContact CB-SD 3.31Å |
| 1103 | N | 82.3 | Confident | 75.7 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 173.3 | -73.4 | -25 | 0 | 0 | 0 | 111.7 | E1099 A1100 E1101 F1105 F1106 Q1107 M1144 | E1099-N1103 VanDerWaalsContact O-CB 3.29Å; E1099-N1103 WeakPolarHBondContact O-CB 3.41Å; E1099-N1103 PolarHBondContact O-N 3.16Å; E1099-N1103 PolarHBondContact O-ND2 2.97Å; E1099-N1103 VanDerWaalsContact O-ND2 3.13Å; A1100-N1103 PolarHBondContact O-N 3.1Å; E1101-N1103 PolarHBondContact O-N 2.81Å; N1103-F1105 VanDerWaalsContact C-N 3.31Å; N1103-F1105 PolarHBondContact O-N 2.9Å; N1103-F1106 PolarHBondContact O-N 3.06Å; N1103-Q1107 WeakPolarHBondContact O-CB 3.35Å; N1103-Q1107 VanDerWaalsContact O-CG 3.3Å; N1103-Q1107 WeakPolarHBondContact O-CG 3.34Å; N1103-Q1107 PolarHBondContact O-N 3.11Å; N1103-M1144 WeakPolarHBondContact OD1-CE 3.3Å; N1103-M1144 PolarHBondContact OD1-SD 2.94Å |
| 1104 | T | 83.8 | Confident | 76.6 | Confident | 58.8 Ų | 58.8 | 69.2 Ų | 69.2 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -33.7 | 173.3 | -13.9 | 0 | 0 | 0 | 0 | 111.9 | A1100 E1101 A1102 Q1107 K1108 | A1100-T1104 WeakPolarHBondContact O-CB 3.43Å; A1100-T1104 VanDerWaalsContact O-CG2 3.29Å; A1100-T1104 WeakPolarHBondContact O-CG2 3.36Å; A1100-T1104 PolarHBondContact O-N 3.04Å; A1100-T1104 PolarHBondContact O-OG1 3.01Å; E1101-T1104 WeakPolarHBondContact O-CB 3.38Å; E1101-T1104 PolarHBondContact O-N 3.15Å; E1101-T1104 PolarHBondContact O-OG1 2.95Å; A1102-T1104 VanDerWaalsContact C-N 3.28Å; A1102-T1104 PolarHBondContact O-N 3.06Å; T1104-Q1107 PolarHBondContact O-N 3.24Å; T1104-K1108 HydrophobicContact CG2-CD 4.47Å; T1104-K1108 VanDerWaalsContact O-CG 3.3Å; T1104-K1108 WeakPolarHBondContact O-CG 3.43Å; T1104-K1108 PolarHBondContact O-N 3.13Å; T1104-K1108 VanDerWaalsContact O-N 3.12Å |
| 1105 | F | 83 | Confident | 77.5 | Confident | 19.6 Ų | 19.6 | 70.7 Ų | 70.7 | 9% | 0.086 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 172.9 | -178.3 | -91.1 | 0 | 0 | 0 | 110.8 | E1101 A1102 N1103 Q1107 K1108 L1109 M1119 L1123 I1141 L1167 | E1101-F1105 PolarHBondContact O-N 3.16Å; A1102-F1105 WeakPolarHBondContact O-CA 3.49Å; A1102-F1105 VanDerWaalsContact O-CB 3.27Å; A1102-F1105 WeakPolarHBondContact O-CB 3.4Å; A1102-F1105 PolarHBondContact O-N 3.02Å; A1102-F1105 VanDerWaalsContact O-N 3.12Å; N1103-F1105 VanDerWaalsContact C-N 3.31Å; N1103-F1105 PolarHBondContact O-N 2.9Å; F1105-Q1107 PolarHBondContact O-N 3.45Å; F1105-K1108 PolarHBondContact O-N 3.05Å; F1105-L1109 PolarHBondContact O-N 3Å; F1105-L1109 VanDerWaalsContact O-N 3.15Å; F1105-M1119 HydrophobicContact CB-CE 4.47Å; F1105-M1119 HydrophobicContact CD1-CE 3.62Å; F1105-M1119 HydrophobicContact CD2-CE 3.77Å; F1105-M1119 HydrophobicContact CD2-SD 4.08Å; F1105-M1119 HydrophobicContact CE1-CE 3.44Å; F1105-M1119 HydrophobicContact CE2-CB 4.22Å; F1105-M1119 HydrophobicContact CE2-CE 3.6Å; F1105-M1119 HydrophobicContact CE2-CG 4.4Å; F1105-M1119 HydrophobicContact CE2-SD 3.79Å; F1105-M1119 HydrophobicContact CG-CE 3.78Å; F1105-M1119 HydrophobicContact CG-SD 4.48Å; F1105-M1119 HydrophobicContact CZ-CB 3.97Å; F1105-M1119 HydrophobicContact CZ-CE 3.42Å; F1105-M1119 VanDerWaalsContact CZ-CE 3.42Å; F1105-M1119 HydrophobicContact CZ-CG 4.39Å; F1105-M1119 HydrophobicContact CZ-SD 4.17Å; F1105-M1119 WeakPolarHBondContact O-CE 3.33Å; F1105-L1123 HydrophobicContact CE1-CD1 4.32Å; F1105-L1123 HydrophobicContact CE1-CD2 4.33Å; F1105-L1123 HydrophobicContact CE1-CG 4.4Å; F1105-L1123 HydrophobicContact CE2-CD2 4.09Å; F1105-L1123 HydrophobicContact CE2-CG 4.22Å; F1105-L1123 HydrophobicContact CZ-CD1 3.9Å; F1105-L1123 HydrophobicContact CZ-CD2 3.75Å; F1105-L1123 HydrophobicContact CZ-CG 3.76Å; F1105-I1141 HydrophobicContact CB-CD1 4.37Å; F1105-I1141 HydrophobicContact CD1-CD1 4.27Å; F1105-I1141 HydrophobicContact CD1-CG1 4.42Å; F1105-I1141 HydrophobicContact CD1-CG2 3.89Å; F1105-I1141 HydrophobicContact CD2-CD1 4.33Å; F1105-I1141 HydrophobicContact CE1-CD1 4.43Å; F1105-I1141 HydrophobicContact CE1-CG2 3.77Å; F1105-I1141 HydrophobicContact CG-CD1 4.09Å; F1105-I1141 HydrophobicContact CZ-CG2 4.45Å; F1105-L1167 HydrophobicContact CE1-CD2 4.17Å; F1105-L1167 HydrophobicContact CZ-CD2 4.35Å |
| 1106 | F | 82 | Confident | 78 | Confident | 17.2 Ų | 17.2 | 67.9 Ų | 67.9 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 175.8 | -73 | -79.1 | 0 | 0 | 0 | 113.4 | A1102 N1103 K1108 L1109 L1110 I1141 M1144 L1145 E1148 F1164 | A1102-F1106 WeakPolarHBondContact O-CD2 3.31Å; A1102-F1106 PolarHBondContact O-N 3.18Å; A1102-F1106 VanDerWaalsContact O-N 3.07Å; N1103-F1106 PolarHBondContact O-N 3.06Å; F1106-K1108 VanDerWaalsContact C-N 3.31Å; F1106-K1108 PolarHBondContact O-N 3.05Å; F1106-L1109 WeakPolarHBondContact O-CA 3.15Å; F1106-L1109 VanDerWaalsContact O-CB 3.29Å; F1106-L1109 WeakPolarHBondContact O-CB 3.38Å; F1106-L1109 PolarHBondContact O-N 3.1Å; F1106-L1109 VanDerWaalsContact O-N 3.1Å; F1106-L1110 WeakPolarHBondContact O-CB 3.41Å; F1106-L1110 WeakPolarHBondContact O-CD1 3.33Å; F1106-L1110 VanDerWaalsContact O-CG 3.28Å; F1106-L1110 WeakPolarHBondContact O-CG 3.37Å; F1106-L1110 PolarHBondContact O-N 3.07Å; F1106-I1141 HydrophobicContact CE2-CG2 4.31Å; F1106-I1141 HydrophobicContact CZ-CG2 4.03Å; F1106-M1144 HydrophobicContact CD2-CE 3.53Å; F1106-M1144 VanDerWaalsContact CD2-CE 3.48Å; F1106-M1144 HydrophobicContact CD2-CG 4.34Å; F1106-M1144 HydrophobicContact CD2-SD 4.06Å; F1106-M1144 WeakPolarHBondContact CD2-SD 3.47Å; F1106-M1144 HydrophobicContact CE1-CG 4.14Å; F1106-M1144 HydrophobicContact CE2-CB 3.71Å; F1106-M1144 VanDerWaalsContact CE2-CB 3.44Å; F1106-M1144 HydrophobicContact CE2-CE 3.62Å; F1106-M1144 VanDerWaalsContact CE2-CE 3.43Å; F1106-M1144 HydrophobicContact CE2-CG 4.14Å; F1106-M1144 HydrophobicContact CE2-SD 3.75Å; F1106-M1144 WeakPolarHBondContact CE2-SD 3.41Å; F1106-M1144 HydrophobicContact CG-CE 4.1Å; F1106-M1144 HydrophobicContact CZ-CB 3.84Å; F1106-M1144 HydrophobicContact CZ-CE 4.32Å; F1106-M1144 HydrophobicContact CZ-CG 3.99Å; F1106-M1144 HydrophobicContact CZ-SD 4.34Å; F1106-L1145 HydrophobicContact CE1-CD2 3.69Å; F1106-L1145 HydrophobicContact CE1-CG 4Å; F1106-L1145 HydrophobicContact CE2-CD2 4.35Å; F1106-L1145 HydrophobicContact CE2-CG 4.29Å; F1106-L1145 HydrophobicContact CZ-CB 4.39Å; F1106-L1145 HydrophobicContact CZ-CD2 3.95Å; F1106-L1145 HydrophobicContact CZ-CG 3.84Å; F1106-E1148 HydrophobicContact CE1-CG 3.98Å; F1106-F1164 HydrophobicContact CD1-CE2 4.45Å; F1106-F1164 AromaticContact CE1-CE2 3.96Å; F1106-F1164 HydrophobicContact CE1-CE2 4.13Å |
| 1107 | Q | 81.3 | Confident | 78.6 | Confident | 105.2 Ų | 105.2 | 63.9 Ų | 63.9 | 49% | 0.492 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 173.6 | -76.4 | 172.1 | -6.1 | 0 | 0 | 111.3 | N1103 T1104 F1105 L1109 L1110 E1111 | N1103-Q1107 WeakPolarHBondContact O-CB 3.35Å; N1103-Q1107 VanDerWaalsContact O-CG 3.3Å; N1103-Q1107 WeakPolarHBondContact O-CG 3.34Å; N1103-Q1107 PolarHBondContact O-N 3.11Å; T1104-Q1107 PolarHBondContact O-N 3.24Å; F1105-Q1107 PolarHBondContact O-N 3.45Å; Q1107-L1109 VanDerWaalsContact C-N 3.28Å; Q1107-L1109 PolarHBondContact O-N 2.93Å; Q1107-L1110 PolarHBondContact O-N 3.11Å; Q1107-L1110 VanDerWaalsContact O-N 3.15Å; Q1107-E1111 VanDerWaalsContact O-CB 3.27Å; Q1107-E1111 WeakPolarHBondContact O-CB 3.25Å; Q1107-E1111 VanDerWaalsContact O-CG 3.26Å; Q1107-E1111 WeakPolarHBondContact O-CG 3.41Å; Q1107-E1111 PolarHBondContact O-N 3.03Å |
| 1108 | K | 82.6 | Confident | 79.1 | Confident | 90.4 Ų | 90.4 | 60.9 Ų | 60.9 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -31.2 | 175.6 | -72.3 | 171.4 | -178.9 | 177.3 | 0 | 113.7 | T1104 F1105 F1106 G1112 I1113 N1114 M1119 | T1104-K1108 HydrophobicContact CG2-CD 4.47Å; T1104-K1108 VanDerWaalsContact O-CG 3.3Å; T1104-K1108 WeakPolarHBondContact O-CG 3.43Å; T1104-K1108 PolarHBondContact O-N 3.13Å; T1104-K1108 VanDerWaalsContact O-N 3.12Å; F1105-K1108 PolarHBondContact O-N 3.05Å; F1106-K1108 VanDerWaalsContact C-N 3.31Å; F1106-K1108 PolarHBondContact O-N 3.05Å; K1108-G1112 PolarHBondContact O-N 3.16Å; K1108-I1113 PolarHBondContact O-N 3.15Å; K1108-I1113 VanDerWaalsContact O-N 3.11Å; K1108-N1114 PolarHBondContact O-N 3.1Å; K1108-M1119 HydrophobicContact CB-CE 4.3Å; K1108-M1119 HydrophobicContact CB-SD 4.34Å |
| 1109 | L | 79.4 | Confident | 79.8 | Confident | 4.2 Ų | 4.2 | 60.3 Ų | 60.3 | 2% | 0.022 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.1 | -47 | 173.8 | -176.1 | 64 | 0 | 0 | 0 | 111.5 | F1105 F1106 Q1107 G1112 P1116 M1119 L1163 F1164 L1167 | F1105-L1109 PolarHBondContact O-N 3Å; F1105-L1109 VanDerWaalsContact O-N 3.15Å; F1106-L1109 WeakPolarHBondContact O-CA 3.15Å; F1106-L1109 VanDerWaalsContact O-CB 3.29Å; F1106-L1109 WeakPolarHBondContact O-CB 3.38Å; F1106-L1109 PolarHBondContact O-N 3.1Å; F1106-L1109 VanDerWaalsContact O-N 3.1Å; Q1107-L1109 VanDerWaalsContact C-N 3.28Å; Q1107-L1109 PolarHBondContact O-N 2.93Å; L1109-G1112 PolarHBondContact O-N 3.1Å; L1109-P1116 HydrophobicContact CD1-CB 4.4Å; L1109-M1119 VanDerWaalsContact CA-SD 3.59Å; L1109-M1119 HydrophobicContact CB-CE 3.81Å; L1109-M1119 HydrophobicContact CB-SD 3.55Å; L1109-M1119 VanDerWaalsContact CB-SD 3.52Å; L1109-M1119 HydrophobicContact CD1-CE 4.24Å; L1109-M1119 HydrophobicContact CD1-SD 3.59Å; L1109-M1119 VanDerWaalsContact CD1-SD 3.52Å; L1109-M1119 HydrophobicContact CG-CE 4.41Å; L1109-M1119 HydrophobicContact CG-SD 4.14Å; L1109-L1163 HydrophobicContact CD1-CB 4.39Å; L1109-F1164 HydrophobicContact CD2-CD2 3.97Å; L1109-F1164 HydrophobicContact CD2-CE2 4.36Å; L1109-F1164 HydrophobicContact CD2-CG 4.4Å; L1109-L1167 HydrophobicContact CD1-CB 4.44Å; L1109-L1167 HydrophobicContact CD1-CD2 4.13Å; L1109-L1167 HydrophobicContact CD2-CD2 3.69Å; L1109-L1167 HydrophobicContact CG-CD2 4.41Å |
| 1110 | L | 76.4 | Confident | 80.4 | Confident | 57.8 Ų | 57.8 | 58.2 Ų | 58.2 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73 | -36.1 | -175.9 | -69.8 | 155.7 | 0 | 0 | 0 | 112.4 | F1106 Q1107 G1112 Y1156 M1160 | F1106-L1110 WeakPolarHBondContact O-CB 3.41Å; F1106-L1110 WeakPolarHBondContact O-CD1 3.33Å; F1106-L1110 VanDerWaalsContact O-CG 3.28Å; F1106-L1110 WeakPolarHBondContact O-CG 3.37Å; F1106-L1110 PolarHBondContact O-N 3.07Å; Q1107-L1110 PolarHBondContact O-N 3.11Å; Q1107-L1110 VanDerWaalsContact O-N 3.15Å; L1110-G1112 PolarHBondContact O-N 3.19Å; L1110-Y1156 HydrophobicContact CD1-CE1 4.07Å; L1110-Y1156 HydrophobicContact CD2-CD1 3.99Å; L1110-Y1156 HydrophobicContact CD2-CE1 3.69Å; L1110-Y1156 HydrophobicContact CG-CE1 4.26Å; L1110-M1160 HydrophobicContact CB-CE 4.41Å; L1110-M1160 HydrophobicContact CB-SD 4.01Å; L1110-M1160 HydrophobicContact CD2-CB 4.3Å; L1110-M1160 HydrophobicContact CD2-CE 3.78Å; L1110-M1160 HydrophobicContact CD2-CG 4.38Å; L1110-M1160 HydrophobicContact CD2-SD 3.6Å; L1110-M1160 WeakPolarHBondContact CD2-SD 3.44Å; L1110-M1160 HydrophobicContact CG-CE 4.47Å; L1110-M1160 HydrophobicContact CG-SD 4.22Å; L1110-M1160 WeakPolarHBondContact O-CE 3.33Å |
| 1111 | E | 78.5 | Confident | 80.8 | Confident | 130.2 Ų | 130.2 | 61.8 Ų | 61.8 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8.6 | 174.1 | -67.4 | 174 | 172.3 | 0 | 0 | 112.5 | Q1107 I1113 | Q1107-E1111 VanDerWaalsContact O-CB 3.27Å; Q1107-E1111 WeakPolarHBondContact O-CB 3.25Å; Q1107-E1111 VanDerWaalsContact O-CG 3.26Å; Q1107-E1111 WeakPolarHBondContact O-CG 3.41Å; Q1107-E1111 PolarHBondContact O-N 3.03Å; E1111-I1113 HydrophobicContact CB-CD1 3.97Å; E1111-I1113 HydrophobicContact CB-CG1 3.85Å; E1111-I1113 PolarHBondContact O-N 3.1Å; E1111-I1113 VanDerWaalsContact OE2-CD1 3.24Å; E1111-I1113 WeakPolarHBondContact OE2-CD1 3.22Å |
| 1112 | G | 70.5 | Confident | 81 | Confident | 46.8 Ų | 46.8 | 59.2 Ų | 59.2 | 48% | 0.482 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 18.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1108 L1109 L1110 N1114 | K1108-G1112 PolarHBondContact O-N 3.16Å; L1109-G1112 PolarHBondContact O-N 3.1Å; L1110-G1112 PolarHBondContact O-N 3.19Å; G1112-N1114 VanDerWaalsContact C-N 3.34Å; G1112-N1114 PolarHBondContact O-N 3.24Å |
| 1113 | I | 75.6 | Confident | 81.2 | Confident | 105.2 Ų | 105.2 | 59.2 Ų | 59.2 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -65.6 | -41.6 | -178 | -62.9 | 175 | 0 | 0 | 0 | 110.5 | K1108 E1111 | K1108-I1113 PolarHBondContact O-N 3.15Å; K1108-I1113 VanDerWaalsContact O-N 3.11Å; E1111-I1113 HydrophobicContact CB-CD1 3.97Å; E1111-I1113 HydrophobicContact CB-CG1 3.85Å; E1111-I1113 PolarHBondContact O-N 3.1Å; E1111-I1113 VanDerWaalsContact OE2-CD1 3.24Å; E1111-I1113 WeakPolarHBondContact OE2-CD1 3.22Å |
| 1114 | N | 76.3 | Confident | 81.4 | Confident | 38.8 Ų | 38.8 | 60.8 Ų | 60.8 | 21% | 0.207 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -114.2 | 131.2 | 178.9 | -68.3 | 5 | 0 | 0 | 0 | 109.7 | K1108 G1112 E1118 M1119 | K1108-N1114 PolarHBondContact O-N 3.1Å; G1112-N1114 VanDerWaalsContact C-N 3.34Å; G1112-N1114 PolarHBondContact O-N 3.24Å; N1114-E1118 PolarHBondContact ND2-OE2 3.29Å; N1114-M1119 HydrophobicContact CB-CG 3.74Å; N1114-M1119 HydrophobicContact CB-SD 4.1Å |
| 1115 | P | 80.6 | Confident | 81.5 | Confident | 68.6 Ų | 68.6 | 60.8 Ų | 60.8 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | trans | -64.4 | 151.4 | 173.3 | 27.5 | -33.4 | 0 | 0 | 0 | 110.9 | D1117 E1118 M1119 | P1115-D1117 PolarHBondContact O-N 3.08Å; P1115-D1117 VanDerWaalsContact O-N 3.1Å; P1115-E1118 HydrophobicContact CG-CB 3.93Å; P1115-E1118 PolarHBondContact O-N 3.1Å; P1115-M1119 PolarHBondContact O-N 3.21Å; P1115-M1119 VanDerWaalsContact O-N 3.14Å | ||
| 1116 | P | 80.7 | Confident | 81.6 | Confident | 13.6 Ų | 13.6 | 61.1 Ų | 61.1 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.5 | -29.7 | -178.1 | 13.3 | -21.8 | 0 | 0 | 0 | 113.2 | L1109 M1119 F1120 L1163 D1166 L1167 | L1109-P1116 HydrophobicContact CD1-CB 4.4Å; P1116-M1119 PolarHBondContact O-N 3.04Å; P1116-F1120 VanDerWaalsContact O-CB 3.28Å; P1116-F1120 WeakPolarHBondContact O-CB 3.38Å; P1116-F1120 PolarHBondContact O-N 3.24Å; P1116-L1163 HydrophobicContact CG-CD2 4.3Å; P1116-D1166 HydrophobicContact CB-CB 4.34Å; P1116-D1166 WeakPolarHBondContact CB-OD2 3.36Å; P1116-D1166 HydrophobicContact CG-CB 4.21Å; P1116-D1166 VanDerWaalsContact CG-OD2 3.23Å; P1116-D1166 WeakPolarHBondContact CG-OD2 3.26Å; P1116-L1167 HydrophobicContact CB-CB 4.12Å |
| 1117 | D | 82.9 | Confident | 81.6 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 176.5 | -63.9 | -43.2 | 0 | 0 | 0 | 113.3 | P1115 F1120 K1121 | P1115-D1117 PolarHBondContact O-N 3.08Å; P1115-D1117 VanDerWaalsContact O-N 3.1Å; D1117-F1120 PolarHBondContact O-N 3.19Å; D1117-K1121 WeakPolarHBondContact O-CB 3.41Å; D1117-K1121 PolarHBondContact O-N 3.31Å |
| 1118 | E | 82.6 | Confident | 81.6 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.8 | -36.3 | 176.5 | -173.6 | 175.3 | -163.1 | 0 | 0 | 111.1 | N1114 P1115 K1121 T1122 | N1114-E1118 PolarHBondContact ND2-OE2 3.29Å; P1115-E1118 HydrophobicContact CG-CB 3.93Å; P1115-E1118 PolarHBondContact O-N 3.1Å; E1118-K1121 WeakPolarHBondContact O-CB 3.37Å; E1118-K1121 PolarHBondContact O-N 3.05Å; E1118-T1122 PolarHBondContact O-N 3.14Å; E1118-T1122 PolarHBondContact O-OG1 2.99Å |
| 1119 | M | 85 | Confident | 81.4 | Confident | 2.4 Ų | 2.4 | 62.5 Ų | 62.5 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 172 | -66.9 | -136.2 | 24.3 | 0 | 0 | 111.4 | F1105 K1108 L1109 N1114 P1115 P1116 K1121 T1122 L1123 L1167 | F1105-M1119 HydrophobicContact CB-CE 4.47Å; F1105-M1119 HydrophobicContact CD1-CE 3.62Å; F1105-M1119 HydrophobicContact CD2-CE 3.77Å; F1105-M1119 HydrophobicContact CD2-SD 4.08Å; F1105-M1119 HydrophobicContact CE1-CE 3.44Å; F1105-M1119 HydrophobicContact CE2-CB 4.22Å; F1105-M1119 HydrophobicContact CE2-CE 3.6Å; F1105-M1119 HydrophobicContact CE2-CG 4.4Å; F1105-M1119 HydrophobicContact CE2-SD 3.79Å; F1105-M1119 HydrophobicContact CG-CE 3.78Å; F1105-M1119 HydrophobicContact CG-SD 4.48Å; F1105-M1119 HydrophobicContact CZ-CB 3.97Å; F1105-M1119 HydrophobicContact CZ-CE 3.42Å; F1105-M1119 VanDerWaalsContact CZ-CE 3.42Å; F1105-M1119 HydrophobicContact CZ-CG 4.39Å; F1105-M1119 HydrophobicContact CZ-SD 4.17Å; F1105-M1119 WeakPolarHBondContact O-CE 3.33Å; K1108-M1119 HydrophobicContact CB-CE 4.3Å; K1108-M1119 HydrophobicContact CB-SD 4.34Å; L1109-M1119 VanDerWaalsContact CA-SD 3.59Å; L1109-M1119 HydrophobicContact CB-CE 3.81Å; L1109-M1119 HydrophobicContact CB-SD 3.55Å; L1109-M1119 VanDerWaalsContact CB-SD 3.52Å; L1109-M1119 HydrophobicContact CD1-CE 4.24Å; L1109-M1119 HydrophobicContact CD1-SD 3.59Å; L1109-M1119 VanDerWaalsContact CD1-SD 3.52Å; L1109-M1119 HydrophobicContact CG-CE 4.41Å; L1109-M1119 HydrophobicContact CG-SD 4.14Å; N1114-M1119 HydrophobicContact CB-CG 3.74Å; N1114-M1119 HydrophobicContact CB-SD 4.1Å; P1115-M1119 PolarHBondContact O-N 3.21Å; P1115-M1119 VanDerWaalsContact O-N 3.14Å; P1116-M1119 PolarHBondContact O-N 3.04Å; M1119-K1121 VanDerWaalsContact C-N 3.33Å; M1119-K1121 PolarHBondContact O-N 3.19Å; M1119-T1122 WeakPolarHBondContact O-CB 3.41Å; M1119-T1122 PolarHBondContact O-N 3.14Å; M1119-T1122 VanDerWaalsContact O-N 3.15Å; M1119-L1123 WeakPolarHBondContact O-CG 3.23Å; M1119-L1123 PolarHBondContact O-N 3.28Å; M1119-L1123 VanDerWaalsContact O-N 3.1Å; M1119-L1167 HydrophobicContact CB-CD1 4.01Å; M1119-L1167 HydrophobicContact CE-CD2 4.25Å |
| 1120 | F | 86.6 | Confident | 81.3 | Confident | 39.6 Ų | 39.6 | 62.6 Ų | 62.6 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 173 | 174 | -103.2 | 0 | 0 | 0 | 111.8 | P1116 D1117 T1122 L1123 Y1124 L1167 S1170 V1171 A1174 | P1116-F1120 VanDerWaalsContact O-CB 3.28Å; P1116-F1120 WeakPolarHBondContact O-CB 3.38Å; P1116-F1120 PolarHBondContact O-N 3.24Å; D1117-F1120 PolarHBondContact O-N 3.19Å; F1120-T1122 VanDerWaalsContact C-N 3.28Å; F1120-T1122 PolarHBondContact O-N 3.17Å; F1120-L1123 CarbonylContact O-C 3.52Å; F1120-L1123 WeakPolarHBondContact O-CB 3.4Å; F1120-L1123 PolarHBondContact O-N 3.12Å; F1120-L1123 VanDerWaalsContact O-N 3.11Å; F1120-Y1124 HydrophobicContact CZ-CD2 4.39Å; F1120-Y1124 WeakPolarHBondContact O-CB 3.4Å; F1120-Y1124 PolarHBondContact O-N 3.14Å; F1120-L1167 HydrophobicContact CB-CD1 4.1Å; F1120-S1170 VanDerWaalsContact CE2-O 3.31Å; F1120-S1170 WeakPolarHBondContact CE2-O 3.47Å; F1120-V1171 HydrophobicContact CD2-CG2 4.04Å; F1120-V1171 HydrophobicContact CE2-CG2 4.45Å; F1120-A1174 HydrophobicContact CE1-CB 4.31Å; F1120-A1174 HydrophobicContact CE2-CB 3.93Å; F1120-A1174 HydrophobicContact CZ-CB 3.65Å |
| 1121 | K | 85.6 | Confident | 81.5 | Confident | 128.4 Ų | 128.4 | 63.2 Ų | 63.2 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.2 | -40.8 | 173.8 | -176 | -177.2 | 175.2 | -173 | 0 | 111.8 | D1117 E1118 M1119 L1123 Y1124 D1125 | D1117-K1121 WeakPolarHBondContact O-CB 3.41Å; D1117-K1121 PolarHBondContact O-N 3.31Å; E1118-K1121 WeakPolarHBondContact O-CB 3.37Å; E1118-K1121 PolarHBondContact O-N 3.05Å; M1119-K1121 VanDerWaalsContact C-N 3.33Å; M1119-K1121 PolarHBondContact O-N 3.19Å; K1121-L1123 VanDerWaalsContact C-N 3.33Å; K1121-L1123 PolarHBondContact O-N 3.12Å; K1121-Y1124 WeakPolarHBondContact O-CB 3.43Å; K1121-Y1124 PolarHBondContact O-N 3.12Å; K1121-Y1124 VanDerWaalsContact O-N 3.14Å; K1121-D1125 WeakPolarHBondContact O-CB 3.31Å; K1121-D1125 VanDerWaalsContact O-CG 3.28Å; K1121-D1125 PolarHBondContact O-N 3.15Å |
| 1122 | T | 84.8 | Confident | 81.2 | Confident | 46.6 Ų | 46.6 | 61.6 Ų | 61.6 | 29% | 0.286 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | E1118 M1119 F1120 Y1124 D1125 F1126 | E1118-T1122 PolarHBondContact O-N 3.14Å; E1118-T1122 PolarHBondContact O-OG1 2.99Å; M1119-T1122 WeakPolarHBondContact O-CB 3.41Å; M1119-T1122 PolarHBondContact O-N 3.14Å; M1119-T1122 VanDerWaalsContact O-N 3.15Å; F1120-T1122 VanDerWaalsContact C-N 3.28Å; F1120-T1122 PolarHBondContact O-N 3.17Å; T1122-Y1124 VanDerWaalsContact C-N 3.34Å; T1122-Y1124 PolarHBondContact O-N 3.42Å; T1122-D1125 PolarHBondContact O-N 3.26Å; T1122-F1126 HydrophobicContact CG2-CD1 4.49Å; T1122-F1126 HydrophobicContact CG2-CD2 4.5Å; T1122-F1126 HydrophobicContact CG2-CE1 3.99Å; T1122-F1126 HydrophobicContact CG2-CE2 3.99Å; T1122-F1126 HydrophobicContact CG2-CZ 3.69Å; T1122-F1126 WeakPolarHBondContact O-CB 3.25Å; T1122-F1126 WeakPolarHBondContact O-CD1 3.4Å; T1122-F1126 VanDerWaalsContact O-CG 3.27Å; T1122-F1126 WeakPolarHBondContact O-CG 3.39Å; T1122-F1126 PolarHBondContact O-N 3.02Å |
| 1123 | L | 85.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 174.7 | -61.6 | 176.1 | 0 | 0 | 0 | 112.4 | F1105 M1119 F1120 K1121 F1126 A1127 L1138 I1141 L1167 V1171 | F1105-L1123 HydrophobicContact CE1-CD1 4.32Å; F1105-L1123 HydrophobicContact CE1-CD2 4.33Å; F1105-L1123 HydrophobicContact CE1-CG 4.4Å; F1105-L1123 HydrophobicContact CE2-CD2 4.09Å; F1105-L1123 HydrophobicContact CE2-CG 4.22Å; F1105-L1123 HydrophobicContact CZ-CD1 3.9Å; F1105-L1123 HydrophobicContact CZ-CD2 3.75Å; F1105-L1123 HydrophobicContact CZ-CG 3.76Å; M1119-L1123 WeakPolarHBondContact O-CG 3.23Å; M1119-L1123 PolarHBondContact O-N 3.28Å; M1119-L1123 VanDerWaalsContact O-N 3.1Å; F1120-L1123 CarbonylContact O-C 3.52Å; F1120-L1123 WeakPolarHBondContact O-CB 3.4Å; F1120-L1123 PolarHBondContact O-N 3.12Å; F1120-L1123 VanDerWaalsContact O-N 3.11Å; K1121-L1123 VanDerWaalsContact C-N 3.33Å; K1121-L1123 PolarHBondContact O-N 3.12Å; L1123-F1126 HydrophobicContact CD2-CD2 4.44Å; L1123-F1126 PolarHBondContact O-N 3.16Å; L1123-A1127 WeakPolarHBondContact O-CB 3.26Å; L1123-A1127 PolarHBondContact O-N 3.22Å; L1123-L1138 HydrophobicContact CB-CD1 4.02Å; L1123-L1138 HydrophobicContact CD2-CD1 3.64Å; L1123-L1138 HydrophobicContact CG-CD1 4.36Å; L1123-I1141 HydrophobicContact CD2-CB 4.42Å; L1123-I1141 HydrophobicContact CD2-CD1 4.05Å; L1123-I1141 HydrophobicContact CD2-CG2 3.95Å; L1123-L1167 HydrophobicContact CD1-CD1 4.39Å; L1123-V1171 HydrophobicContact CD1-CG2 3.88Å |
| 1124 | Y | 86.1 | Confident | 81.8 | Confident | 103.8 Ų | 103.8 | 61.7 Ų | 61.7 | 41% | 0.407 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.8 | -178.2 | -82.7 | 0 | 0 | 0 | 111.7 | F1120 K1121 T1122 F1126 A1127 T1128 L1178 | F1120-Y1124 HydrophobicContact CZ-CD2 4.39Å; F1120-Y1124 WeakPolarHBondContact O-CB 3.4Å; F1120-Y1124 PolarHBondContact O-N 3.14Å; K1121-Y1124 WeakPolarHBondContact O-CB 3.43Å; K1121-Y1124 PolarHBondContact O-N 3.12Å; K1121-Y1124 VanDerWaalsContact O-N 3.14Å; T1122-Y1124 VanDerWaalsContact C-N 3.34Å; T1122-Y1124 PolarHBondContact O-N 3.42Å; Y1124-F1126 VanDerWaalsContact C-N 3.33Å; Y1124-F1126 PolarHBondContact O-N 3.49Å; Y1124-A1127 PolarHBondContact O-N 3.13Å; Y1124-T1128 HydrophobicContact CD1-CG2 4.18Å; Y1124-T1128 HydrophobicContact CE1-CG2 3.73Å; Y1124-T1128 HydrophobicContact CE2-CG2 4.32Å; Y1124-T1128 WeakPolarHBondContact O-CB 3.36Å; Y1124-T1128 WeakPolarHBondContact O-CG2 3.38Å; Y1124-T1128 PolarHBondContact O-N 3.13Å; Y1124-T1128 PolarHBondContact O-OG1 3.16Å; Y1124-L1178 HydrophobicContact CD2-CD1 3.98Å; Y1124-L1178 HydrophobicContact CD2-CD2 3.45Å; Y1124-L1178 HydrophobicContact CD2-CG 4.36Å; Y1124-L1178 HydrophobicContact CE2-CD1 3.93Å; Y1124-L1178 HydrophobicContact CE2-CD2 3.83Å; Y1124-L1178 HydrophobicContact CE2-CG 4.22Å; Y1124-L1178 HydrophobicContact CG-CD1 4.4Å; Y1124-L1178 HydrophobicContact CG-CD2 4.31Å |
| 1125 | D | 85.2 | Confident | 81.9 | Confident | 60.2 Ų | 60.2 | 66.2 Ų | 66.2 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 176.6 | -70.3 | -22.7 | 0 | 0 | 0 | 110.7 | K1121 T1122 A1127 T1128 Q1129 G1130 | K1121-D1125 WeakPolarHBondContact O-CB 3.31Å; K1121-D1125 VanDerWaalsContact O-CG 3.28Å; K1121-D1125 PolarHBondContact O-N 3.15Å; T1122-D1125 PolarHBondContact O-N 3.26Å; D1125-A1127 VanDerWaalsContact C-N 3.33Å; D1125-A1127 PolarHBondContact O-N 3.04Å; D1125-T1128 PolarHBondContact O-N 3.11Å; D1125-Q1129 CarbonylContact O-C 3.42Å; D1125-Q1129 WeakPolarHBondContact O-CA 3.33Å; D1125-Q1129 PolarHBondContact O-N 3.32Å; D1125-G1130 PolarHBondContact O-N 3.05Å |
| 1126 | F | 85.1 | Confident | 81.9 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 11% | 0.114 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 171.9 | -68.4 | -8.3 | 0 | 0 | 0 | 113 | T1122 L1123 Y1124 G1130 Q1134 R1135 L1137 L1138 I1141 | T1122-F1126 HydrophobicContact CG2-CD1 4.49Å; T1122-F1126 HydrophobicContact CG2-CD2 4.5Å; T1122-F1126 HydrophobicContact CG2-CE1 3.99Å; T1122-F1126 HydrophobicContact CG2-CE2 3.99Å; T1122-F1126 HydrophobicContact CG2-CZ 3.69Å; T1122-F1126 WeakPolarHBondContact O-CB 3.25Å; T1122-F1126 WeakPolarHBondContact O-CD1 3.4Å; T1122-F1126 VanDerWaalsContact O-CG 3.27Å; T1122-F1126 WeakPolarHBondContact O-CG 3.39Å; T1122-F1126 PolarHBondContact O-N 3.02Å; L1123-F1126 HydrophobicContact CD2-CD2 4.44Å; L1123-F1126 PolarHBondContact O-N 3.16Å; Y1124-F1126 VanDerWaalsContact C-N 3.33Å; Y1124-F1126 PolarHBondContact O-N 3.49Å; F1126-G1130 VanDerWaalsContact O-CA 3.31Å; F1126-G1130 WeakPolarHBondContact O-CA 3.4Å; F1126-G1130 PolarHBondContact O-N 3.05Å; F1126-Q1134 HydrophobicContact CB-CB 4.46Å; F1126-Q1134 HydrophobicContact CD1-CB 3.95Å; F1126-Q1134 HydrophobicContact CD1-CG 4.03Å; F1126-Q1134 HydrophobicContact CE1-CB 4.34Å; F1126-Q1134 HydrophobicContact CE1-CG 3.94Å; F1126-Q1134 HydrophobicContact CG-CB 4.13Å; F1126-Q1134 HydrophobicContact CZ-CG 4.43Å; F1126-R1135 WeakPolarHBondContact O-CG 3.35Å; F1126-L1137 HydrophobicContact CD2-CD2 4.4Å; F1126-L1137 HydrophobicContact CE2-CD2 3.83Å; F1126-L1137 HydrophobicContact CZ-CD2 4.31Å; F1126-L1138 HydrophobicContact CB-CB 4.22Å; F1126-L1138 HydrophobicContact CB-CD2 4.26Å; F1126-L1138 HydrophobicContact CD2-CB 4.49Å; F1126-I1141 HydrophobicContact CE2-CD1 4.5Å |
| 1127 | A | 81.8 | Confident | 81.9 | Confident | 22.2 Ų | 22.2 | 69.7 Ų | 69.7 | 18% | 0.183 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.1 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1123 Y1124 D1125 L1138 L1178 F1179 | L1123-A1127 WeakPolarHBondContact O-CB 3.26Å; L1123-A1127 PolarHBondContact O-N 3.22Å; Y1124-A1127 PolarHBondContact O-N 3.13Å; D1125-A1127 VanDerWaalsContact C-N 3.33Å; D1125-A1127 PolarHBondContact O-N 3.04Å; A1127-L1138 HydrophobicContact CB-CD2 3.77Å; A1127-L1178 HydrophobicContact CB-CD1 3.66Å; A1127-L1178 HydrophobicContact CB-CD2 4.31Å; A1127-L1178 HydrophobicContact CB-CG 3.88Å; A1127-F1179 HydrophobicContact CB-CE1 4.3Å |
| 1128 | T | 81.4 | Confident | 82.1 | Confident | 59.6 Ų | 59.6 | 65.6 Ų | 65.6 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -89.2 | -46.2 | -172.7 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | Y1124 D1125 L1178 | Y1124-T1128 HydrophobicContact CD1-CG2 4.18Å; Y1124-T1128 HydrophobicContact CE1-CG2 3.73Å; Y1124-T1128 HydrophobicContact CE2-CG2 4.32Å; Y1124-T1128 WeakPolarHBondContact O-CB 3.36Å; Y1124-T1128 WeakPolarHBondContact O-CG2 3.38Å; Y1124-T1128 PolarHBondContact O-N 3.13Å; Y1124-T1128 PolarHBondContact O-OG1 3.16Å; D1125-T1128 PolarHBondContact O-N 3.11Å; T1128-L1178 HydrophobicContact CG2-CD1 3.72Å; T1128-L1178 HydrophobicContact CG2-CD2 4.05Å |
| 1129 | Q | 77.9 | Confident | 82 | Confident | 159.6 Ų | 159.6 | 63.3 Ų | 63.3 | 75% | 0.746 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -1.6 | -171.6 | -63.7 | 177.4 | 59.4 | 0 | 0 | 113.1 | D1125 | D1125-Q1129 CarbonylContact O-C 3.42Å; D1125-Q1129 WeakPolarHBondContact O-CA 3.33Å; D1125-Q1129 PolarHBondContact O-N 3.32Å |
| 1130 | G | 77.5 | Confident | 81.9 | Confident | 5.8 Ų | 5.8 | 63.2 Ų | 63.2 | 6% | 0.06 | 32% | 0.321 | C | S | . | . | trans | -67.3 | 143.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1125 F1126 R1135 | D1125-G1130 PolarHBondContact O-N 3.05Å; F1126-G1130 VanDerWaalsContact O-CA 3.31Å; F1126-G1130 WeakPolarHBondContact O-CA 3.4Å; F1126-G1130 PolarHBondContact O-N 3.05Å; G1130-R1135 PolarHBondContact O-NE 3Å; G1130-R1135 VanDerWaalsContact O-NE 3.11Å; G1130-R1135 PolarHBondContact O-NH2 3.01Å | ||
| 1131 | T | 80.7 | Confident | 81.9 | Confident | 71.4 Ų | 71.4 | 61.4 Ų | 61.4 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | trans | -58.9 | 158.2 | 167.5 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | S1133 Q1134 R1135 | T1131-S1133 PolarHBondContact O-N 3.16Å; T1131-S1133 VanDerWaalsContact O-N 3.13Å; T1131-Q1134 WeakPolarHBondContact O-CB 3.35Å; T1131-Q1134 PolarHBondContact O-N 2.93Å; T1131-Q1134 VanDerWaalsContact O-N 3.11Å; T1131-Q1134 WeakPolarHBondContact OG1-CB 3.5Å; T1131-Q1134 VanDerWaalsContact OG1-CD 3.32Å; T1131-Q1134 WeakPolarHBondContact OG1-CG 3.3Å; T1131-Q1134 PolarHBondContact OG1-N 3.04Å; T1131-Q1134 VanDerWaalsContact OG1-N 3.17Å; T1131-Q1134 PolarHBondContact OG1-OE1 3.1Å; T1131-R1135 WeakPolarHBondContact O-CG 3.4Å; T1131-R1135 PolarHBondContact O-N 2.99Å | ||
| 1132 | P | 73.6 | Confident | 82 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 62% | 0.623 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58 | -27 | 176.6 | 22.9 | -34.5 | 0 | 0 | 0 | 113.5 | K1136 | P1132-K1136 WeakPolarHBondContact O-CG 3.31Å; P1132-K1136 PolarHBondContact O-N 3.05Å; P1132-K1136 VanDerWaalsContact O-N 3.16Å |
| 1133 | S | 74.9 | Confident | 81.9 | Confident | 88 Ų | 88 | 56 Ų | 56 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.1 | -47.8 | 172 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | T1131 R1135 K1136 L1137 | T1131-S1133 PolarHBondContact O-N 3.16Å; T1131-S1133 VanDerWaalsContact O-N 3.13Å; S1133-R1135 VanDerWaalsContact C-N 3.29Å; S1133-R1135 PolarHBondContact O-N 3.29Å; S1133-K1136 WeakPolarHBondContact O-CB 3.39Å; S1133-K1136 PolarHBondContact O-N 3.28Å; S1133-K1136 VanDerWaalsContact O-N 3.12Å; S1133-L1137 PolarHBondContact O-N 3.18Å |
| 1134 | Q | 83.4 | Confident | 81.8 | Confident | 65.4 Ų | 65.4 | 57.2 Ų | 57.2 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -32.8 | 175.6 | -74.4 | 162.8 | -36.2 | 0 | 0 | 112.7 | F1126 T1131 L1137 L1138 | F1126-Q1134 HydrophobicContact CB-CB 4.46Å; F1126-Q1134 HydrophobicContact CD1-CB 3.95Å; F1126-Q1134 HydrophobicContact CD1-CG 4.03Å; F1126-Q1134 HydrophobicContact CE1-CB 4.34Å; F1126-Q1134 HydrophobicContact CE1-CG 3.94Å; F1126-Q1134 HydrophobicContact CG-CB 4.13Å; F1126-Q1134 HydrophobicContact CZ-CG 4.43Å; T1131-Q1134 WeakPolarHBondContact O-CB 3.35Å; T1131-Q1134 PolarHBondContact O-N 2.93Å; T1131-Q1134 VanDerWaalsContact O-N 3.11Å; T1131-Q1134 WeakPolarHBondContact OG1-CB 3.5Å; T1131-Q1134 VanDerWaalsContact OG1-CD 3.32Å; T1131-Q1134 WeakPolarHBondContact OG1-CG 3.3Å; T1131-Q1134 PolarHBondContact OG1-N 3.04Å; T1131-Q1134 VanDerWaalsContact OG1-N 3.17Å; T1131-Q1134 PolarHBondContact OG1-OE1 3.1Å; Q1134-L1137 WeakPolarHBondContact O-CB 3.34Å; Q1134-L1137 PolarHBondContact O-N 2.9Å; Q1134-L1138 VanDerWaalsContact O-CB 3.3Å; Q1134-L1138 WeakPolarHBondContact O-CB 3.34Å; Q1134-L1138 PolarHBondContact O-N 3.05Å |
| 1135 | R | 79 | Confident | 81.8 | Confident | 134.4 Ų | 134.4 | 52.3 Ų | 52.3 | 51% | 0.507 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.8 | -33.8 | 173.8 | -70.7 | -176.6 | -151 | 162.2 | -0.2 | 113.1 | F1126 G1130 T1131 S1133 L1138 D1139 | F1126-R1135 WeakPolarHBondContact O-CG 3.35Å; G1130-R1135 PolarHBondContact O-NE 3Å; G1130-R1135 VanDerWaalsContact O-NE 3.11Å; G1130-R1135 PolarHBondContact O-NH2 3.01Å; T1131-R1135 WeakPolarHBondContact O-CG 3.4Å; T1131-R1135 PolarHBondContact O-N 2.99Å; S1133-R1135 VanDerWaalsContact C-N 3.29Å; S1133-R1135 PolarHBondContact O-N 3.29Å; R1135-L1138 PolarHBondContact O-N 3.16Å; R1135-D1139 WeakPolarHBondContact O-CB 3.41Å; R1135-D1139 PolarHBondContact O-N 3.16Å; R1135-D1139 VanDerWaalsContact O-N 3.11Å |
| 1136 | K | 78.9 | Confident | 81.9 | Confident | 150.4 Ų | 150.4 | 49.5 Ų | 49.5 | 65% | 0.654 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | 170.6 | -74.1 | 176.9 | -179.7 | -179.6 | 0 | 111.3 | P1132 S1133 L1138 D1139 G1140 | P1132-K1136 WeakPolarHBondContact O-CG 3.31Å; P1132-K1136 PolarHBondContact O-N 3.05Å; P1132-K1136 VanDerWaalsContact O-N 3.16Å; S1133-K1136 WeakPolarHBondContact O-CB 3.39Å; S1133-K1136 PolarHBondContact O-N 3.28Å; S1133-K1136 VanDerWaalsContact O-N 3.12Å; K1136-L1138 VanDerWaalsContact C-N 3.35Å; K1136-D1139 PolarHBondContact O-N 3.13Å; K1136-G1140 PolarHBondContact O-N 3.25Å |
| 1137 | L | 82.6 | Confident | 81.8 | Confident | 5.2 Ų | 5.2 | 49.3 Ų | 49.3 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 173.1 | 179 | 71.1 | 0 | 0 | 0 | 111.3 | A1098 E1101 A1102 F1126 S1133 Q1134 D1139 G1140 I1141 | A1098-L1137 HydrophobicContact CB-CD1 4.17Å; A1098-L1137 VanDerWaalsContact O-CD1 3.31Å; A1098-L1137 WeakPolarHBondContact O-CD1 3.41Å; E1101-L1137 HydrophobicContact CB-CD1 3.92Å; E1101-L1137 HydrophobicContact CB-CD2 4.4Å; E1101-L1137 HydrophobicContact CG-CD1 4.11Å; E1101-L1137 HydrophobicContact CG-CD2 3.84Å; E1101-L1137 WeakPolarHBondContact OE1-CD2 3.38Å; E1101-L1137 WeakPolarHBondContact OE2-CD2 3.33Å; A1102-L1137 HydrophobicContact CB-CD1 4.2Å; F1126-L1137 HydrophobicContact CD2-CD2 4.4Å; F1126-L1137 HydrophobicContact CE2-CD2 3.83Å; F1126-L1137 HydrophobicContact CZ-CD2 4.31Å; S1133-L1137 PolarHBondContact O-N 3.18Å; Q1134-L1137 WeakPolarHBondContact O-CB 3.34Å; Q1134-L1137 PolarHBondContact O-N 2.9Å; L1137-D1139 VanDerWaalsContact C-N 3.34Å; L1137-D1139 PolarHBondContact O-N 3.17Å; L1137-G1140 CarbonylContact O-C 3.45Å; L1137-G1140 VanDerWaalsContact O-CA 3.31Å; L1137-G1140 WeakPolarHBondContact O-CA 3.4Å; L1137-G1140 PolarHBondContact O-N 3.23Å; L1137-G1140 VanDerWaalsContact O-N 3.09Å; L1137-I1141 HydrophobicContact CD1-CD1 4.38Å; L1137-I1141 HydrophobicContact CD1-CG1 4.45Å; L1137-I1141 HydrophobicContact CD2-CD1 4.38Å; L1137-I1141 HydrophobicContact CG-CD1 3.91Å; L1137-I1141 HydrophobicContact CG-CG1 4.43Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.35Å; L1137-I1141 PolarHBondContact O-N 3.05Å |
| 1138 | L | 85.9 | Confident | 81.9 | Confident | 12.6 Ų | 12.6 | 50 Ų | 50 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56 | -49.4 | 175.7 | 173.4 | 63.8 | 0 | 0 | 0 | 111.6 | L1123 F1126 A1127 Q1134 R1135 K1136 G1140 I1141 L1142 F1179 | L1123-L1138 HydrophobicContact CB-CD1 4.02Å; L1123-L1138 HydrophobicContact CD2-CD1 3.64Å; L1123-L1138 HydrophobicContact CG-CD1 4.36Å; F1126-L1138 HydrophobicContact CB-CB 4.22Å; F1126-L1138 HydrophobicContact CB-CD2 4.26Å; F1126-L1138 HydrophobicContact CD2-CB 4.49Å; A1127-L1138 HydrophobicContact CB-CD2 3.77Å; Q1134-L1138 VanDerWaalsContact O-CB 3.3Å; Q1134-L1138 WeakPolarHBondContact O-CB 3.34Å; Q1134-L1138 PolarHBondContact O-N 3.05Å; R1135-L1138 PolarHBondContact O-N 3.16Å; K1136-L1138 VanDerWaalsContact C-N 3.35Å; L1138-G1140 VanDerWaalsContact C-N 3.25Å; L1138-G1140 PolarHBondContact O-N 3.28Å; L1138-I1141 PolarHBondContact O-N 3.04Å; L1138-I1141 VanDerWaalsContact O-N 3.15Å; L1138-L1142 HydrophobicContact CD1-CD1 4.17Å; L1138-L1142 HydrophobicContact CD1-CD2 4.47Å; L1138-L1142 HydrophobicContact CD1-CG 4.09Å; L1138-L1142 HydrophobicContact CG-CD1 4.17Å; L1138-L1142 HydrophobicContact CG-CG 4.46Å; L1138-L1142 WeakPolarHBondContact O-CB 3.27Å; L1138-L1142 VanDerWaalsContact O-CG 3.29Å; L1138-L1142 WeakPolarHBondContact O-CG 3.36Å; L1138-L1142 PolarHBondContact O-N 3.22Å; L1138-F1179 HydrophobicContact CD1-CE1 4.23Å; L1138-F1179 HydrophobicContact CD2-CD1 4.49Å; L1138-F1179 HydrophobicContact CD2-CE1 4.27Å |
| 1139 | D | 81 | Confident | 82 | Confident | 51.8 Ų | 51.8 | 47.2 Ų | 47.2 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 175.6 | -176.7 | 57.1 | 0 | 0 | 0 | 111.8 | R1135 K1136 L1137 L1142 R1143 | R1135-D1139 WeakPolarHBondContact O-CB 3.41Å; R1135-D1139 PolarHBondContact O-N 3.16Å; R1135-D1139 VanDerWaalsContact O-N 3.11Å; K1136-D1139 PolarHBondContact O-N 3.13Å; L1137-D1139 VanDerWaalsContact C-N 3.34Å; L1137-D1139 PolarHBondContact O-N 3.17Å; D1139-L1142 PolarHBondContact O-N 2.9Å; D1139-R1143 WeakPolarHBondContact O-CB 3.36Å; D1139-R1143 WeakPolarHBondContact O-CD 3.4Å; D1139-R1143 VanDerWaalsContact O-CG 3.28Å; D1139-R1143 WeakPolarHBondContact O-CG 3.36Å; D1139-R1143 PolarHBondContact O-N 3.12Å; D1139-R1143 VanDerWaalsContact O-N 3.09Å; D1139-R1143 IonicContact OD1-CZ 3.41Å; D1139-R1143 IonicContact OD1-NE 3.17Å; D1139-R1143 PolarHBondContact OD1-NE 3.02Å; D1139-R1143 IonicContact OD1-NH1 2.73Å; D1139-R1143 IonicContact OD1-NH2 3.38Å; D1139-R1143 PolarHBondContact OD1-NH2 3.27Å; D1139-R1143 IonicContact OD2-CZ 3.1Å; D1139-R1143 VanDerWaalsContact OD2-CZ 3.24Å; D1139-R1143 IonicContact OD2-NE 3.31Å; D1139-R1143 PolarHBondContact OD2-NE 3.34Å; D1139-R1143 VanDerWaalsContact OD2-NE 3.08Å; D1139-R1143 IonicContact OD2-NH1 3.49Å; D1139-R1143 PolarHBondContact OD2-NH1 3.48Å; D1139-R1143 IonicContact OD2-NH2 3.3Å; D1139-R1143 PolarHBondContact OD2-NH2 3.19Å |
| 1140 | G | 82.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -49.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1094 K1136 L1137 L1138 L1142 R1143 M1144 | L1094-G1140 VanDerWaalsContact CD1-CA 3.42Å; L1094-G1140 VanDerWaalsContact CD2-CA 3.48Å; K1136-G1140 PolarHBondContact O-N 3.25Å; L1137-G1140 CarbonylContact O-C 3.45Å; L1137-G1140 VanDerWaalsContact O-CA 3.31Å; L1137-G1140 WeakPolarHBondContact O-CA 3.4Å; L1137-G1140 PolarHBondContact O-N 3.23Å; L1137-G1140 VanDerWaalsContact O-N 3.09Å; L1138-G1140 VanDerWaalsContact C-N 3.25Å; L1138-G1140 PolarHBondContact O-N 3.28Å; G1140-L1142 VanDerWaalsContact C-N 3.33Å; G1140-L1142 PolarHBondContact O-N 3.19Å; G1140-R1143 PolarHBondContact O-N 3.28Å; G1140-M1144 WeakPolarHBondContact O-CG 3.31Å; G1140-M1144 PolarHBondContact O-N 3.28Å |
| 1141 | I | 86.2 | Confident | 82.1 | Confident | 1.2 Ų | 1.2 | 47.2 Ų | 47.2 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 178.1 | -66.3 | 166.9 | 0 | 0 | 0 | 110.4 | A1102 F1105 F1106 L1123 F1126 L1137 L1138 R1143 M1144 L1145 | A1102-I1141 HydrophobicContact CB-CG1 3.85Å; F1105-I1141 HydrophobicContact CB-CD1 4.37Å; F1105-I1141 HydrophobicContact CD1-CD1 4.27Å; F1105-I1141 HydrophobicContact CD1-CG1 4.42Å; F1105-I1141 HydrophobicContact CD1-CG2 3.89Å; F1105-I1141 HydrophobicContact CD2-CD1 4.33Å; F1105-I1141 HydrophobicContact CE1-CD1 4.43Å; F1105-I1141 HydrophobicContact CE1-CG2 3.77Å; F1105-I1141 HydrophobicContact CG-CD1 4.09Å; F1105-I1141 HydrophobicContact CZ-CG2 4.45Å; F1106-I1141 HydrophobicContact CE2-CG2 4.31Å; F1106-I1141 HydrophobicContact CZ-CG2 4.03Å; L1123-I1141 HydrophobicContact CD2-CB 4.42Å; L1123-I1141 HydrophobicContact CD2-CD1 4.05Å; L1123-I1141 HydrophobicContact CD2-CG2 3.95Å; F1126-I1141 HydrophobicContact CE2-CD1 4.5Å; L1137-I1141 HydrophobicContact CD1-CD1 4.38Å; L1137-I1141 HydrophobicContact CD1-CG1 4.45Å; L1137-I1141 HydrophobicContact CD2-CD1 4.38Å; L1137-I1141 HydrophobicContact CG-CD1 3.91Å; L1137-I1141 HydrophobicContact CG-CG1 4.43Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.35Å; L1137-I1141 PolarHBondContact O-N 3.05Å; L1138-I1141 PolarHBondContact O-N 3.04Å; L1138-I1141 VanDerWaalsContact O-N 3.15Å; I1141-R1143 VanDerWaalsContact C-N 3.34Å; I1141-R1143 PolarHBondContact O-N 3.16Å; I1141-M1144 PolarHBondContact O-N 3.24Å; I1141-L1145 HydrophobicContact CG2-CD1 4.18Å; I1141-L1145 HydrophobicContact CG2-CG 4.39Å; I1141-L1145 WeakPolarHBondContact O-CB 3.31Å; I1141-L1145 WeakPolarHBondContact O-CG 3.27Å; I1141-L1145 PolarHBondContact O-N 3.04Å |
| 1142 | L | 87.5 | Confident | 81.9 | Confident | 4.6 Ų | 4.6 | 47.4 Ų | 47.4 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 177.1 | -66.6 | 178.3 | 0 | 0 | 0 | 112.3 | L1138 D1139 G1140 L1145 A1146 V1171 F1179 A1183 M1186 L1187 | L1138-L1142 HydrophobicContact CD1-CD1 4.17Å; L1138-L1142 HydrophobicContact CD1-CD2 4.47Å; L1138-L1142 HydrophobicContact CD1-CG 4.09Å; L1138-L1142 HydrophobicContact CG-CD1 4.17Å; L1138-L1142 HydrophobicContact CG-CG 4.46Å; L1138-L1142 WeakPolarHBondContact O-CB 3.27Å; L1138-L1142 VanDerWaalsContact O-CG 3.29Å; L1138-L1142 WeakPolarHBondContact O-CG 3.36Å; L1138-L1142 PolarHBondContact O-N 3.22Å; D1139-L1142 PolarHBondContact O-N 2.9Å; G1140-L1142 VanDerWaalsContact C-N 3.33Å; G1140-L1142 PolarHBondContact O-N 3.19Å; L1142-L1145 HydrophobicContact CD2-CD1 4.29Å; L1142-L1145 PolarHBondContact O-N 3.2Å; L1142-A1146 WeakPolarHBondContact O-CB 3.41Å; L1142-A1146 PolarHBondContact O-N 3.19Å; L1142-A1146 VanDerWaalsContact O-N 3.1Å; L1142-V1171 HydrophobicContact CD2-CG1 3.73Å; L1142-F1179 HydrophobicContact CD1-CD1 3.8Å; L1142-F1179 HydrophobicContact CD1-CE1 4.05Å; L1142-F1179 HydrophobicContact CD1-CG 4.41Å; L1142-F1179 HydrophobicContact CD2-CE1 4.49Å; L1142-A1183 HydrophobicContact CD1-CB 4.07Å; L1142-M1186 HydrophobicContact CB-CE 4.27Å; L1142-M1186 WeakPolarHBondContact O-CE 3.31Å; L1142-L1187 HydrophobicContact CD2-CD1 4.32Å |
| 1143 | R | 83 | Confident | 82.2 | Confident | 57.8 Ų | 57.8 | 42.8 Ų | 42.8 | 22% | 0.218 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 173.4 | -74.3 | 175.5 | -162.7 | -169.8 | 13.1 | 112.1 | I1090 K1091 I1092 D1139 G1140 I1141 A1146 D1147 M1186 | I1090-R1143 HydrophobicContact CG2-CB 4.02Å; I1090-R1143 HydrophobicContact CG2-CG 4.32Å; K1091-R1143 PolarHBondContact O-NH1 3.01Å; I1092-R1143 HydrophobicContact CG1-CB 4.36Å; D1139-R1143 WeakPolarHBondContact O-CB 3.36Å; D1139-R1143 WeakPolarHBondContact O-CD 3.4Å; D1139-R1143 VanDerWaalsContact O-CG 3.28Å; D1139-R1143 WeakPolarHBondContact O-CG 3.36Å; D1139-R1143 PolarHBondContact O-N 3.12Å; D1139-R1143 VanDerWaalsContact O-N 3.09Å; D1139-R1143 IonicContact OD1-CZ 3.41Å; D1139-R1143 IonicContact OD1-NE 3.17Å; D1139-R1143 PolarHBondContact OD1-NE 3.02Å; D1139-R1143 IonicContact OD1-NH1 2.73Å; D1139-R1143 IonicContact OD1-NH2 3.38Å; D1139-R1143 PolarHBondContact OD1-NH2 3.27Å; D1139-R1143 IonicContact OD2-CZ 3.1Å; D1139-R1143 VanDerWaalsContact OD2-CZ 3.24Å; D1139-R1143 IonicContact OD2-NE 3.31Å; D1139-R1143 PolarHBondContact OD2-NE 3.34Å; D1139-R1143 VanDerWaalsContact OD2-NE 3.08Å; D1139-R1143 IonicContact OD2-NH1 3.49Å; D1139-R1143 PolarHBondContact OD2-NH1 3.48Å; D1139-R1143 IonicContact OD2-NH2 3.3Å; D1139-R1143 PolarHBondContact OD2-NH2 3.19Å; G1140-R1143 PolarHBondContact O-N 3.28Å; I1141-R1143 VanDerWaalsContact C-N 3.34Å; I1141-R1143 PolarHBondContact O-N 3.16Å; R1143-A1146 PolarHBondContact O-N 3.28Å; R1143-D1147 WeakPolarHBondContact O-CB 3.39Å; R1143-D1147 PolarHBondContact O-N 3.22Å; R1143-M1186 HydrophobicContact CB-CE 4.31Å; R1143-M1186 HydrophobicContact CB-SD 4.33Å; R1143-M1186 HydrophobicContact CG-CE 3.8Å; R1143-M1186 HydrophobicContact CG-SD 3.9Å |
| 1144 | M | 83.5 | Confident | 82.2 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 176.1 | -106.5 | 168.6 | 54.8 | 0 | 0 | 111.3 | I1092 L1094 A1102 N1103 F1106 G1140 I1141 A1146 D1147 E1148 | I1092-M1144 HydrophobicContact CD1-CG 4.12Å; I1092-M1144 HydrophobicContact CG2-CG 4.42Å; L1094-M1144 HydrophobicContact CD1-CE 4.37Å; L1094-M1144 HydrophobicContact CD1-CG 4.26Å; L1094-M1144 HydrophobicContact CD1-SD 3.75Å; A1102-M1144 HydrophobicContact CB-CE 3.64Å; A1102-M1144 VanDerWaalsContact CB-CE 3.48Å; A1102-M1144 HydrophobicContact CB-SD 3.57Å; A1102-M1144 VanDerWaalsContact CB-SD 3.57Å; A1102-M1144 WeakPolarHBondContact CB-SD 3.31Å; N1103-M1144 WeakPolarHBondContact OD1-CE 3.3Å; N1103-M1144 PolarHBondContact OD1-SD 2.94Å; F1106-M1144 HydrophobicContact CD2-CE 3.53Å; F1106-M1144 VanDerWaalsContact CD2-CE 3.48Å; F1106-M1144 HydrophobicContact CD2-CG 4.34Å; F1106-M1144 HydrophobicContact CD2-SD 4.06Å; F1106-M1144 WeakPolarHBondContact CD2-SD 3.47Å; F1106-M1144 HydrophobicContact CE1-CG 4.14Å; F1106-M1144 HydrophobicContact CE2-CB 3.71Å; F1106-M1144 VanDerWaalsContact CE2-CB 3.44Å; F1106-M1144 HydrophobicContact CE2-CE 3.62Å; F1106-M1144 VanDerWaalsContact CE2-CE 3.43Å; F1106-M1144 HydrophobicContact CE2-CG 4.14Å; F1106-M1144 HydrophobicContact CE2-SD 3.75Å; F1106-M1144 WeakPolarHBondContact CE2-SD 3.41Å; F1106-M1144 HydrophobicContact CG-CE 4.1Å; F1106-M1144 HydrophobicContact CZ-CB 3.84Å; F1106-M1144 HydrophobicContact CZ-CE 4.32Å; F1106-M1144 HydrophobicContact CZ-CG 3.99Å; F1106-M1144 HydrophobicContact CZ-SD 4.34Å; G1140-M1144 WeakPolarHBondContact O-CG 3.31Å; G1140-M1144 PolarHBondContact O-N 3.28Å; I1141-M1144 PolarHBondContact O-N 3.24Å; M1144-A1146 VanDerWaalsContact C-N 3.3Å; M1144-A1146 PolarHBondContact O-N 3.36Å; M1144-D1147 PolarHBondContact O-N 3.08Å; M1144-D1147 VanDerWaalsContact O-N 3.12Å; M1144-E1148 WeakPolarHBondContact O-CB 3.28Å; M1144-E1148 VanDerWaalsContact O-CG 3.25Å; M1144-E1148 WeakPolarHBondContact O-CG 3.29Å; M1144-E1148 PolarHBondContact O-N 3.24Å |
| 1145 | L | 86.8 | Confident | 82 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.6 | -46.2 | 173.5 | -79.1 | 171.1 | 0 | 0 | 0 | 111.6 | F1106 I1141 L1142 D1147 E1148 V1149 F1164 L1167 Y1168 V1171 L1187 | F1106-L1145 HydrophobicContact CE1-CD2 3.69Å; F1106-L1145 HydrophobicContact CE1-CG 4Å; F1106-L1145 HydrophobicContact CE2-CD2 4.35Å; F1106-L1145 HydrophobicContact CE2-CG 4.29Å; F1106-L1145 HydrophobicContact CZ-CB 4.39Å; F1106-L1145 HydrophobicContact CZ-CD2 3.95Å; F1106-L1145 HydrophobicContact CZ-CG 3.84Å; I1141-L1145 HydrophobicContact CG2-CD1 4.18Å; I1141-L1145 HydrophobicContact CG2-CG 4.39Å; I1141-L1145 WeakPolarHBondContact O-CB 3.31Å; I1141-L1145 WeakPolarHBondContact O-CG 3.27Å; I1141-L1145 PolarHBondContact O-N 3.04Å; L1142-L1145 HydrophobicContact CD2-CD1 4.29Å; L1142-L1145 PolarHBondContact O-N 3.2Å; L1145-D1147 VanDerWaalsContact C-N 3.31Å; L1145-D1147 PolarHBondContact O-N 3.33Å; L1145-E1148 PolarHBondContact O-N 3.24Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.4Å; L1145-V1149 PolarHBondContact O-N 3.26Å; L1145-V1149 VanDerWaalsContact O-N 3.14Å; L1145-F1164 HydrophobicContact CD2-CE1 4.21Å; L1145-F1164 HydrophobicContact CD2-CE2 3.88Å; L1145-F1164 HydrophobicContact CD2-CZ 3.64Å; L1145-F1164 VanDerWaalsContact CD2-CZ 3.48Å; L1145-L1167 HydrophobicContact CD2-CD2 4.38Å; L1145-Y1168 HydrophobicContact CB-CD2 4.06Å; L1145-Y1168 HydrophobicContact CB-CE2 3.95Å; L1145-Y1168 HydrophobicContact CD2-CD2 4.26Å; L1145-Y1168 HydrophobicContact CG-CD2 4.48Å; L1145-Y1168 WeakPolarHBondContact O-CE2 3.42Å; L1145-V1171 HydrophobicContact CD1-CG2 4.38Å; L1145-L1187 HydrophobicContact CB-CD2 4.4Å |
| 1146 | A | 85.7 | Confident | 81.9 | Confident | 1.2 Ų | 1.2 | 42.1 Ų | 42.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1090 L1142 R1143 M1144 E1148 V1149 S1150 M1186 L1187 S1190 | I1090-A1146 HydrophobicContact CD1-CB 3.9Å; L1142-A1146 WeakPolarHBondContact O-CB 3.41Å; L1142-A1146 PolarHBondContact O-N 3.19Å; L1142-A1146 VanDerWaalsContact O-N 3.1Å; R1143-A1146 PolarHBondContact O-N 3.28Å; M1144-A1146 VanDerWaalsContact C-N 3.3Å; M1144-A1146 PolarHBondContact O-N 3.36Å; A1146-E1148 VanDerWaalsContact C-N 3.35Å; A1146-E1148 PolarHBondContact O-N 2.93Å; A1146-V1149 PolarHBondContact O-N 3.44Å; A1146-S1150 WeakPolarHBondContact O-CB 3.38Å; A1146-S1150 PolarHBondContact O-N 2.91Å; A1146-S1150 VanDerWaalsContact O-N 3.13Å; A1146-S1150 PolarHBondContact O-OG 3.14Å; A1146-M1186 HydrophobicContact CB-CE 3.91Å; A1146-M1186 HydrophobicContact CB-CG 3.71Å; A1146-M1186 HydrophobicContact CB-SD 4.02Å; A1146-L1187 HydrophobicContact CB-CD2 4.2Å; A1146-S1190 VanDerWaalsContact C-OG 3.32Å; A1146-S1190 WeakPolarHBondContact CA-OG 3.25Å; A1146-S1190 WeakPolarHBondContact CB-OG 3.37Å; A1146-S1190 VanDerWaalsContact O-CB 3.25Å; A1146-S1190 WeakPolarHBondContact O-CB 3.3Å; A1146-S1190 PolarHBondContact O-OG 2.98Å; A1146-S1190 VanDerWaalsContact O-OG 3.09Å |
| 1147 | D | 83.8 | Confident | 81.9 | Confident | 22 Ų | 22 | 38 Ų | 38 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 179.1 | -156.9 | 57.7 | 0 | 0 | 0 | 111.4 | I1090 I1092 R1143 M1144 L1145 V1149 S1150 R1151 | I1090-D1147 HydrophobicContact CD1-CB 4.3Å; I1090-D1147 HydrophobicContact CG2-CB 4.35Å; I1092-D1147 HydrophobicContact CD1-CB 4.1Å; R1143-D1147 WeakPolarHBondContact O-CB 3.39Å; R1143-D1147 PolarHBondContact O-N 3.22Å; M1144-D1147 PolarHBondContact O-N 3.08Å; M1144-D1147 VanDerWaalsContact O-N 3.12Å; L1145-D1147 VanDerWaalsContact C-N 3.31Å; L1145-D1147 PolarHBondContact O-N 3.33Å; D1147-V1149 PolarHBondContact O-N 3.11Å; D1147-S1150 WeakPolarHBondContact CA-OG 3.37Å; D1147-S1150 CarbonylContact O-C 3.48Å; D1147-S1150 PolarHBondContact O-N 3.03Å; D1147-S1150 VanDerWaalsContact O-N 3.13Å; D1147-S1150 PolarHBondContact O-OG 3.35Å; D1147-R1151 VanDerWaalsContact CG-CZ 3.5Å; D1147-R1151 VanDerWaalsContact CG-NE 3.34Å; D1147-R1151 WeakPolarHBondContact O-CB 3.23Å; D1147-R1151 PolarHBondContact O-N 3.25Å; D1147-R1151 WeakPolarHBondContact OD1-CD 3.35Å; D1147-R1151 IonicContact OD1-CZ 3.18Å; D1147-R1151 VanDerWaalsContact OD1-CZ 3.3Å; D1147-R1151 IonicContact OD1-NE 3.2Å; D1147-R1151 PolarHBondContact OD1-NE 3.25Å; D1147-R1151 IonicContact OD1-NH1 3.82Å; D1147-R1151 IonicContact OD1-NH2 3.09Å; D1147-R1151 PolarHBondContact OD1-NH2 3.33Å; D1147-R1151 WeakPolarHBondContact OD2-CD 3.38Å; D1147-R1151 IonicContact OD2-CZ 3.09Å; D1147-R1151 VanDerWaalsContact OD2-CZ 3.24Å; D1147-R1151 IonicContact OD2-NE 3.11Å; D1147-R1151 PolarHBondContact OD2-NE 2.98Å; D1147-R1151 IonicContact OD2-NH2 3.08Å; D1147-R1151 PolarHBondContact OD2-NH2 3.13Å |
| 1148 | E | 83.7 | Confident | 81.5 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 178.4 | -104.5 | -20.2 | 154.3 | 0 | 0 | 112.8 | F1106 M1144 L1145 A1146 S1150 R1151 H1152 L1153 Y1156 F1164 | F1106-E1148 HydrophobicContact CE1-CG 3.98Å; M1144-E1148 WeakPolarHBondContact O-CB 3.28Å; M1144-E1148 VanDerWaalsContact O-CG 3.25Å; M1144-E1148 WeakPolarHBondContact O-CG 3.29Å; M1144-E1148 PolarHBondContact O-N 3.24Å; L1145-E1148 PolarHBondContact O-N 3.24Å; A1146-E1148 VanDerWaalsContact C-N 3.35Å; A1146-E1148 PolarHBondContact O-N 2.93Å; E1148-S1150 VanDerWaalsContact C-N 3.27Å; E1148-S1150 PolarHBondContact O-N 3.07Å; E1148-R1151 PolarHBondContact O-N 3.22Å; E1148-H1152 HydrophobicContact CG-CB 4.38Å; E1148-H1152 PolarHBondContact O-N 3.35Å; E1148-H1152 IonicContact OE1-CE1 3.52Å; E1148-H1152 IonicContact OE1-CG 3.28Å; E1148-H1152 IonicContact OE1-ND1 3.47Å; E1148-H1152 PolarHBondContact OE1-ND1 3.17Å; E1148-H1152 WeakPolarHBondContact OE2-CB 3.47Å; E1148-H1152 IonicContact OE2-CE1 3.92Å; E1148-H1152 IonicContact OE2-CG 2.94Å; E1148-H1152 IonicContact OE2-ND1 3.41Å; E1148-H1152 PolarHBondContact OE2-ND1 3.14Å; E1148-L1153 PolarHBondContact O-N 3.14Å; E1148-Y1156 HydrophobicContact CG-CE2 3.82Å; E1148-Y1156 WeakPolarHBondContact OE1-CE2 3.26Å; E1148-Y1156 VanDerWaalsContact OE1-CZ 3.25Å; E1148-Y1156 PolarHBondContact OE1-OH 3.14Å; E1148-Y1156 VanDerWaalsContact OE2-CE2 3.24Å; E1148-Y1156 WeakPolarHBondContact OE2-CE2 3.41Å; E1148-Y1156 VanDerWaalsContact OE2-CZ 3.31Å; E1148-Y1156 PolarHBondContact OE2-OH 3.11Å; E1148-F1164 HydrophobicContact CB-CE2 4.3Å; E1148-F1164 HydrophobicContact CB-CZ 3.82Å; E1148-F1164 HydrophobicContact CG-CE2 4.18Å; E1148-F1164 HydrophobicContact CG-CZ 4.19Å |
| 1149 | V | 84.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L1145 A1146 D1147 L1153 F1164 Y1168 V1191 R1194 M1212 | L1145-V1149 WeakPolarHBondContact O-CG2 3.4Å; L1145-V1149 PolarHBondContact O-N 3.26Å; L1145-V1149 VanDerWaalsContact O-N 3.14Å; A1146-V1149 PolarHBondContact O-N 3.44Å; D1147-V1149 PolarHBondContact O-N 3.11Å; V1149-L1153 HydrophobicContact CG1-CD2 4.41Å; V1149-F1164 HydrophobicContact CG2-CE1 3.63Å; V1149-F1164 HydrophobicContact CG2-CZ 4.3Å; V1149-Y1168 HydrophobicContact CB-CE2 4.23Å; V1149-Y1168 HydrophobicContact CG2-CD1 4.42Å; V1149-Y1168 HydrophobicContact CG2-CD2 3.55Å; V1149-Y1168 HydrophobicContact CG2-CE1 4.37Å; V1149-Y1168 HydrophobicContact CG2-CE2 3.36Å; V1149-Y1168 HydrophobicContact CG2-CG 4.13Å; V1149-V1191 HydrophobicContact CG1-CG2 4.33Å; V1149-R1194 HydrophobicContact CG1-CB 4.42Å; V1149-R1194 PolarHBondContact O-NE 2.9Å; V1149-R1194 PolarHBondContact O-NH2 3.39Å; V1149-R1194 VanDerWaalsContact O-NH2 3.09Å; V1149-M1212 HydrophobicContact CG1-CE 4.23Å |
| 1150 | S | 79 | Confident | 81 | Confident | 35.4 Ų | 35.4 | 49.1 Ų | 49.1 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.4 | -32.8 | -176.4 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | A1146 D1147 E1148 R1194 | A1146-S1150 WeakPolarHBondContact O-CB 3.38Å; A1146-S1150 PolarHBondContact O-N 2.91Å; A1146-S1150 VanDerWaalsContact O-N 3.13Å; A1146-S1150 PolarHBondContact O-OG 3.14Å; D1147-S1150 WeakPolarHBondContact CA-OG 3.37Å; D1147-S1150 CarbonylContact O-C 3.48Å; D1147-S1150 PolarHBondContact O-N 3.03Å; D1147-S1150 VanDerWaalsContact O-N 3.13Å; D1147-S1150 PolarHBondContact O-OG 3.35Å; E1148-S1150 VanDerWaalsContact C-N 3.27Å; E1148-S1150 PolarHBondContact O-N 3.07Å; S1150-R1194 PolarHBondContact O-NH2 2.61Å |
| 1151 | R | 77.5 | Confident | 81.1 | Confident | 131.4 Ų | 131.4 | 49.4 Ų | 49.4 | 50% | 0.496 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -113.8 | -58.8 | -172.6 | -64.1 | -172.4 | -137.8 | -91.2 | -4.3 | 114.4 | D1147 E1148 R1194 | D1147-R1151 VanDerWaalsContact CG-CZ 3.5Å; D1147-R1151 VanDerWaalsContact CG-NE 3.34Å; D1147-R1151 WeakPolarHBondContact O-CB 3.23Å; D1147-R1151 PolarHBondContact O-N 3.25Å; D1147-R1151 WeakPolarHBondContact OD1-CD 3.35Å; D1147-R1151 IonicContact OD1-CZ 3.18Å; D1147-R1151 VanDerWaalsContact OD1-CZ 3.3Å; D1147-R1151 IonicContact OD1-NE 3.2Å; D1147-R1151 PolarHBondContact OD1-NE 3.25Å; D1147-R1151 IonicContact OD1-NH1 3.82Å; D1147-R1151 IonicContact OD1-NH2 3.09Å; D1147-R1151 PolarHBondContact OD1-NH2 3.33Å; D1147-R1151 WeakPolarHBondContact OD2-CD 3.38Å; D1147-R1151 IonicContact OD2-CZ 3.09Å; D1147-R1151 VanDerWaalsContact OD2-CZ 3.24Å; D1147-R1151 IonicContact OD2-NE 3.11Å; D1147-R1151 PolarHBondContact OD2-NE 2.98Å; D1147-R1151 IonicContact OD2-NH2 3.08Å; D1147-R1151 PolarHBondContact OD2-NH2 3.13Å; E1148-R1151 PolarHBondContact O-N 3.22Å; R1151-R1194 PolarHBondContact O-NH1 3.35Å; R1151-R1194 PolarHBondContact O-NH2 3.38Å |
| 1152 | H | 77.6 | Confident | 80.9 | Confident | 74.2 Ų | 74.2 | 52.1 Ų | 52.1 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -2.9 | -160.4 | -47.4 | 120.6 | 0 | 0 | 0 | 114.5 | E1148 Q1154 D1155 Y1156 | E1148-H1152 HydrophobicContact CG-CB 4.38Å; E1148-H1152 PolarHBondContact O-N 3.35Å; E1148-H1152 IonicContact OE1-CE1 3.52Å; E1148-H1152 IonicContact OE1-CG 3.28Å; E1148-H1152 IonicContact OE1-ND1 3.47Å; E1148-H1152 PolarHBondContact OE1-ND1 3.17Å; E1148-H1152 WeakPolarHBondContact OE2-CB 3.47Å; E1148-H1152 IonicContact OE2-CE1 3.92Å; E1148-H1152 IonicContact OE2-CG 2.94Å; E1148-H1152 IonicContact OE2-ND1 3.41Å; E1148-H1152 PolarHBondContact OE2-ND1 3.14Å; H1152-Q1154 PolarHBondContact O-N 3.16Å; H1152-D1155 VanDerWaalsContact CA-OD2 3.27Å; H1152-D1155 WeakPolarHBondContact CA-OD2 3.23Å; H1152-D1155 WeakPolarHBondContact O-CA 3.1Å; H1152-D1155 WeakPolarHBondContact O-CB 3.41Å; H1152-D1155 PolarHBondContact O-N 3.2Å; H1152-Y1156 HydrophobicContact CB-CE2 4.45Å; H1152-Y1156 VanDerWaalsContact O-CD2 3.3Å; H1152-Y1156 WeakPolarHBondContact O-CD2 3.28Å |
| 1153 | L | 79 | Confident | 80.8 | Confident | 1.2 Ų | 1.2 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -54.5 | -28.1 | -176.7 | -167.3 | 68 | 0 | 0 | 0 | 114.1 | E1148 V1149 D1155 Y1156 L1161 F1164 R1194 L1208 M1212 | E1148-L1153 PolarHBondContact O-N 3.14Å; V1149-L1153 HydrophobicContact CG1-CD2 4.41Å; L1153-D1155 VanDerWaalsContact C-N 3.29Å; L1153-D1155 PolarHBondContact O-N 3.47Å; L1153-Y1156 HydrophobicContact CD1-CD2 4.47Å; L1153-Y1156 PolarHBondContact O-N 3.24Å; L1153-L1161 HydrophobicContact CD1-CD1 3.61Å; L1153-L1161 HydrophobicContact CD1-CD2 3.68Å; L1153-L1161 HydrophobicContact CG-CD1 3.99Å; L1153-L1161 HydrophobicContact CG-CD2 3.93Å; L1153-L1161 WeakPolarHBondContact O-CD1 3.37Å; L1153-L1161 WeakPolarHBondContact O-CD2 3.39Å; L1153-F1164 HydrophobicContact CD1-CD1 3.76Å; L1153-F1164 HydrophobicContact CD1-CE1 4.1Å; L1153-F1164 HydrophobicContact CD1-CG 4.37Å; L1153-R1194 HydrophobicContact CD2-CG 4.38Å; L1153-L1208 HydrophobicContact CB-CD2 4.26Å; L1153-L1208 HydrophobicContact CD2-CD2 4Å; L1153-L1208 HydrophobicContact CG-CD2 3.99Å; L1153-M1212 HydrophobicContact CD2-CE 3.14Å; L1153-M1212 HydrophobicContact CD2-SD 4.44Å |
| 1154 | Q | 75.2 | Confident | 81 | Confident | 116.8 Ų | 116.8 | 52.2 Ų | 52.2 | 55% | 0.546 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -72.9 | -21.7 | 177.2 | 112.3 | -177.6 | 5.6 | 0 | 0 | 114 | H1152 Y1156 L1208 | H1152-Q1154 PolarHBondContact O-N 3.16Å; Q1154-Y1156 VanDerWaalsContact C-N 3.3Å; Q1154-Y1156 PolarHBondContact O-N 3.43Å; Q1154-L1208 HydrophobicContact CB-CD1 3.71Å; Q1154-L1208 HydrophobicContact CB-CD2 4.42Å; Q1154-L1208 HydrophobicContact CB-CG 4.44Å; Q1154-L1208 HydrophobicContact CG-CD1 4.25Å |
| 1155 | D | 79.2 | Confident | 81.2 | Confident | 116 Ų | 116 | 51.1 Ų | 51.1 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -87.3 | -7.2 | -175.2 | -53.8 | -47.8 | 0 | 0 | 0 | 111.9 | H1152 L1153 | H1152-D1155 VanDerWaalsContact CA-OD2 3.27Å; H1152-D1155 WeakPolarHBondContact CA-OD2 3.23Å; H1152-D1155 WeakPolarHBondContact O-CA 3.1Å; H1152-D1155 WeakPolarHBondContact O-CB 3.41Å; H1152-D1155 PolarHBondContact O-N 3.2Å; L1153-D1155 VanDerWaalsContact C-N 3.29Å; L1153-D1155 PolarHBondContact O-N 3.47Å |
| 1156 | Y | 77.5 | Confident | 81.3 | Confident | 38.4 Ų | 38.4 | 52.5 Ų | 52.5 | 15% | 0.151 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -75.5 | 139.8 | 177.1 | -78.4 | -97.7 | 0 | 0 | 0 | 111.8 | L1110 E1148 H1152 L1153 Q1154 M1160 L1161 F1164 | L1110-Y1156 HydrophobicContact CD1-CE1 4.07Å; L1110-Y1156 HydrophobicContact CD2-CD1 3.99Å; L1110-Y1156 HydrophobicContact CD2-CE1 3.69Å; L1110-Y1156 HydrophobicContact CG-CE1 4.26Å; E1148-Y1156 HydrophobicContact CG-CE2 3.82Å; E1148-Y1156 WeakPolarHBondContact OE1-CE2 3.26Å; E1148-Y1156 VanDerWaalsContact OE1-CZ 3.25Å; E1148-Y1156 PolarHBondContact OE1-OH 3.14Å; E1148-Y1156 VanDerWaalsContact OE2-CE2 3.24Å; E1148-Y1156 WeakPolarHBondContact OE2-CE2 3.41Å; E1148-Y1156 VanDerWaalsContact OE2-CZ 3.31Å; E1148-Y1156 PolarHBondContact OE2-OH 3.11Å; H1152-Y1156 HydrophobicContact CB-CE2 4.45Å; H1152-Y1156 VanDerWaalsContact O-CD2 3.3Å; H1152-Y1156 WeakPolarHBondContact O-CD2 3.28Å; L1153-Y1156 HydrophobicContact CD1-CD2 4.47Å; L1153-Y1156 PolarHBondContact O-N 3.24Å; Q1154-Y1156 VanDerWaalsContact C-N 3.3Å; Q1154-Y1156 PolarHBondContact O-N 3.43Å; Y1156-M1160 HydrophobicContact CD1-CB 4.42Å; Y1156-M1160 HydrophobicContact CD1-CE 4.37Å; Y1156-L1161 WeakPolarHBondContact O-CD1 3.15Å; Y1156-F1164 HydrophobicContact CE1-CD2 4.31Å |
| 1157 | P | 77.6 | Confident | 81.4 | Confident | 65.8 Ų | 65.8 | 52.4 Ų | 52.4 | 43% | 0.427 | 27% | 0.268 | S | S | . | . | trans | -62.7 | 146 | 171.6 | 16.9 | -20.8 | 0 | 0 | 0 | 111.7 | T1159 M1160 L1161 | P1157-T1159 PolarHBondContact O-N 3.13Å; P1157-M1160 HydrophobicContact CB-CE 4.22Å; P1157-M1160 HydrophobicContact CG-CB 4.18Å; P1157-M1160 HydrophobicContact CG-CE 3.63Å; P1157-M1160 HydrophobicContact CG-CG 3.92Å; P1157-M1160 HydrophobicContact CG-SD 3.99Å; P1157-M1160 VanDerWaalsContact CG-SD 3.57Å; P1157-M1160 PolarHBondContact O-N 3.07Å; P1157-L1161 WeakPolarHBondContact O-CD1 3.21Å; P1157-L1161 PolarHBondContact O-N 3.02Å | ||
| 1158 | E | 74.4 | Confident | 81.7 | Confident | 137 Ų | 137 | 51.4 Ų | 51.4 | 64% | 0.64 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.7 | -174 | -56.8 | -170.2 | 162.5 | 0 | 0 | 114.2 | M1160 P1162 T1207 | E1158-M1160 VanDerWaalsContact C-N 3.34Å; E1158-P1162 VanDerWaalsContact O-CD 3.26Å; E1158-P1162 WeakPolarHBondContact O-CD 3.34Å; E1158-T1207 HydrophobicContact CB-CG2 4.33Å; E1158-T1207 VanDerWaalsContact CD-CG2 3.45Å; E1158-T1207 HydrophobicContact CG-CG2 3.7Å; E1158-T1207 WeakPolarHBondContact OE1-CG2 3.29Å |
| 1159 | T | 77.7 | Confident | 82 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -28.2 | 178 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | P1157 | P1157-T1159 PolarHBondContact O-N 3.13Š|
| 1160 | M | 79.7 | Confident | 82.2 | Confident | 51 Ų | 51 | 50 Ų | 50 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -25.2 | -176.9 | -63.2 | -168.8 | -103.1 | 0 | 0 | 112.8 | L1110 Y1156 P1157 E1158 P1162 L1163 F1164 | L1110-M1160 HydrophobicContact CB-CE 4.41Å; L1110-M1160 HydrophobicContact CB-SD 4.01Å; L1110-M1160 HydrophobicContact CD2-CB 4.3Å; L1110-M1160 HydrophobicContact CD2-CE 3.78Å; L1110-M1160 HydrophobicContact CD2-CG 4.38Å; L1110-M1160 HydrophobicContact CD2-SD 3.6Å; L1110-M1160 WeakPolarHBondContact CD2-SD 3.44Å; L1110-M1160 HydrophobicContact CG-CE 4.47Å; L1110-M1160 HydrophobicContact CG-SD 4.22Å; L1110-M1160 WeakPolarHBondContact O-CE 3.33Å; Y1156-M1160 HydrophobicContact CD1-CB 4.42Å; Y1156-M1160 HydrophobicContact CD1-CE 4.37Å; P1157-M1160 HydrophobicContact CB-CE 4.22Å; P1157-M1160 HydrophobicContact CG-CB 4.18Å; P1157-M1160 HydrophobicContact CG-CE 3.63Å; P1157-M1160 HydrophobicContact CG-CG 3.92Å; P1157-M1160 HydrophobicContact CG-SD 3.99Å; P1157-M1160 VanDerWaalsContact CG-SD 3.57Å; P1157-M1160 PolarHBondContact O-N 3.07Å; E1158-M1160 VanDerWaalsContact C-N 3.34Å; M1160-P1162 VanDerWaalsContact C-CD 3.48Å; M1160-P1162 VanDerWaalsContact C-N 3.33Å; M1160-L1163 WeakPolarHBondContact O-CB 3.3Å; M1160-L1163 PolarHBondContact O-N 3.1Å; M1160-L1163 VanDerWaalsContact O-N 3.12Å; M1160-F1164 PolarHBondContact O-N 3.35Å; M1160-F1164 VanDerWaalsContact O-N 3.13Å |
| 1161 | L | 84.1 | Confident | 82.7 | Confident | 6.2 Ų | 6.2 | 48.4 Ų | 48.4 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -51.8 | -43.7 | 178.7 | -101.8 | 141.2 | 0 | 0 | 0 | 114.2 | L1153 Y1156 P1157 L1163 F1164 A1165 L1208 A1211 | L1153-L1161 HydrophobicContact CD1-CD1 3.61Å; L1153-L1161 HydrophobicContact CD1-CD2 3.68Å; L1153-L1161 HydrophobicContact CG-CD1 3.99Å; L1153-L1161 HydrophobicContact CG-CD2 3.93Å; L1153-L1161 WeakPolarHBondContact O-CD1 3.37Å; L1153-L1161 WeakPolarHBondContact O-CD2 3.39Å; Y1156-L1161 WeakPolarHBondContact O-CD1 3.15Å; P1157-L1161 WeakPolarHBondContact O-CD1 3.21Å; P1157-L1161 PolarHBondContact O-N 3.02Å; L1161-L1163 VanDerWaalsContact C-N 3.35Å; L1161-L1163 PolarHBondContact O-N 3.17Å; L1161-F1164 PolarHBondContact O-N 3.14Å; L1161-A1165 VanDerWaalsContact O-CB 3.28Å; L1161-A1165 WeakPolarHBondContact O-CB 3.27Å; L1161-A1165 PolarHBondContact O-N 3.13Å; L1161-L1208 HydrophobicContact CD2-CD2 4.04Å; L1161-L1208 HydrophobicContact CD2-CG 4.47Å; L1161-A1211 HydrophobicContact CB-CB 4.35Å; L1161-A1211 HydrophobicContact CD2-CB 4.03Å |
| 1162 | P | 83.2 | Confident | 83.3 | Confident | 58.4 Ų | 58.4 | 42.2 Ų | 42.2 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -38 | 177.4 | -24.1 | 35.1 | 0 | 0 | 0 | 113.4 | E1158 M1160 F1164 A1165 D1166 | E1158-P1162 VanDerWaalsContact O-CD 3.26Å; E1158-P1162 WeakPolarHBondContact O-CD 3.34Å; M1160-P1162 VanDerWaalsContact C-CD 3.48Å; M1160-P1162 VanDerWaalsContact C-N 3.33Å; P1162-F1164 VanDerWaalsContact C-N 3.34Å; P1162-F1164 PolarHBondContact O-N 2.99Å; P1162-A1165 PolarHBondContact O-N 3.3Å; P1162-D1166 VanDerWaalsContact O-CB 3.24Å; P1162-D1166 WeakPolarHBondContact O-CB 3.31Å; P1162-D1166 PolarHBondContact O-N 3.16Å |
| 1163 | L | 84.8 | Confident | 83.7 | Confident | 62.2 Ų | 62.2 | 40.6 Ų | 40.6 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 178.6 | -63.2 | 171.8 | 0 | 0 | 0 | 110.9 | L1109 P1116 M1160 L1161 D1166 L1167 | L1109-L1163 HydrophobicContact CD1-CB 4.39Å; P1116-L1163 HydrophobicContact CG-CD2 4.3Å; M1160-L1163 WeakPolarHBondContact O-CB 3.3Å; M1160-L1163 PolarHBondContact O-N 3.1Å; M1160-L1163 VanDerWaalsContact O-N 3.12Å; L1161-L1163 VanDerWaalsContact C-N 3.35Å; L1161-L1163 PolarHBondContact O-N 3.17Å; L1163-D1166 PolarHBondContact O-N 3.39Å; L1163-L1167 PolarHBondContact O-N 3.17Å; L1163-L1167 VanDerWaalsContact O-N 3.08Å |
| 1164 | F | 86.5 | Confident | 83.6 | Confident | 2.6 Ų | 2.6 | 41.5 Ų | 41.5 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -46.3 | 176.8 | -167.9 | -79.5 | 0 | 0 | 0 | 111.6 | F1106 L1109 L1145 E1148 V1149 L1153 Y1156 M1160 L1161 P1162 D1166 L1167 Y1168 | F1106-F1164 HydrophobicContact CD1-CE2 4.45Å; F1106-F1164 AromaticContact CE1-CE2 3.96Å; F1106-F1164 HydrophobicContact CE1-CE2 4.13Å; L1109-F1164 HydrophobicContact CD2-CD2 3.97Å; L1109-F1164 HydrophobicContact CD2-CE2 4.36Å; L1109-F1164 HydrophobicContact CD2-CG 4.4Å; L1145-F1164 HydrophobicContact CD2-CE1 4.21Å; L1145-F1164 HydrophobicContact CD2-CE2 3.88Å; L1145-F1164 HydrophobicContact CD2-CZ 3.64Å; L1145-F1164 VanDerWaalsContact CD2-CZ 3.48Å; E1148-F1164 HydrophobicContact CB-CE2 4.3Å; E1148-F1164 HydrophobicContact CB-CZ 3.82Å; E1148-F1164 HydrophobicContact CG-CE2 4.18Å; E1148-F1164 HydrophobicContact CG-CZ 4.19Å; V1149-F1164 HydrophobicContact CG2-CE1 3.63Å; V1149-F1164 HydrophobicContact CG2-CZ 4.3Å; L1153-F1164 HydrophobicContact CD1-CD1 3.76Å; L1153-F1164 HydrophobicContact CD1-CE1 4.1Å; L1153-F1164 HydrophobicContact CD1-CG 4.37Å; Y1156-F1164 HydrophobicContact CE1-CD2 4.31Å; M1160-F1164 PolarHBondContact O-N 3.35Å; M1160-F1164 VanDerWaalsContact O-N 3.13Å; L1161-F1164 PolarHBondContact O-N 3.14Å; P1162-F1164 VanDerWaalsContact C-N 3.34Å; P1162-F1164 PolarHBondContact O-N 2.99Å; F1164-D1166 VanDerWaalsContact C-N 3.28Å; F1164-D1166 PolarHBondContact O-N 3.09Å; F1164-L1167 PolarHBondContact O-N 3.23Å; F1164-Y1168 AromaticContact CE1-CD2 3.99Å; F1164-Y1168 HydrophobicContact CE1-CD2 4.1Å; F1164-Y1168 HydrophobicContact CZ-CD2 4.42Å; F1164-Y1168 WeakPolarHBondContact O-CB 3.25Å; F1164-Y1168 PolarHBondContact O-N 3.03Å |
| 1165 | A | 87.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -36 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1161 P1162 G1169 A1211 H1214 I1215 | L1161-A1165 VanDerWaalsContact O-CB 3.28Å; L1161-A1165 WeakPolarHBondContact O-CB 3.27Å; L1161-A1165 PolarHBondContact O-N 3.13Å; P1162-A1165 PolarHBondContact O-N 3.3Å; A1165-G1169 WeakPolarHBondContact O-CA 3.3Å; A1165-G1169 PolarHBondContact O-N 3.16Å; A1165-A1211 HydrophobicContact CB-CB 4.24Å; A1165-H1214 HydrophobicContact CB-CB 4.29Å; A1165-I1215 HydrophobicContact CB-CD1 4.35Å; A1165-I1215 HydrophobicContact CB-CG1 3.83Å; A1165-I1215 WeakPolarHBondContact O-CG1 3.22Å |
| 1166 | D | 88.2 | Confident | 82.7 | Confident | 29.2 Ų | 29.2 | 33.3 Ų | 33.3 | 16% | 0.156 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.7 | -43.5 | 178.9 | -164.2 | 59.7 | 0 | 0 | 0 | 112.6 | P1116 P1162 L1163 F1164 G1169 S1170 H1214 K1218 | P1116-D1166 HydrophobicContact CB-CB 4.34Å; P1116-D1166 WeakPolarHBondContact CB-OD2 3.36Å; P1116-D1166 HydrophobicContact CG-CB 4.21Å; P1116-D1166 VanDerWaalsContact CG-OD2 3.23Å; P1116-D1166 WeakPolarHBondContact CG-OD2 3.26Å; P1162-D1166 VanDerWaalsContact O-CB 3.24Å; P1162-D1166 WeakPolarHBondContact O-CB 3.31Å; P1162-D1166 PolarHBondContact O-N 3.16Å; L1163-D1166 PolarHBondContact O-N 3.39Å; F1164-D1166 VanDerWaalsContact C-N 3.28Å; F1164-D1166 PolarHBondContact O-N 3.09Å; D1166-G1169 PolarHBondContact O-N 2.86Å; D1166-S1170 WeakPolarHBondContact O-CB 3.21Å; D1166-S1170 PolarHBondContact O-N 3.06Å; D1166-S1170 PolarHBondContact O-OG 3.16Å; D1166-S1170 VanDerWaalsContact O-OG 3.08Å; D1166-H1214 IonicContact OD1-CE1 3.18Å; D1166-H1214 PolarHBondContact OD1-CE1 3.27Å; D1166-H1214 VanDerWaalsContact OD1-CE1 3.25Å; D1166-K1218 PolarHBondContact O-NZ 2.91Å; D1166-K1218 VanDerWaalsContact OD1-CD 3.27Å; D1166-K1218 WeakPolarHBondContact OD1-CD 3.3Å; D1166-K1218 WeakPolarHBondContact OD1-CE 3.34Å; D1166-K1218 IonicContact OD1-NZ 2.85Å; D1166-K1218 PolarHBondContact OD1-NZ 3.38Å; D1166-K1218 IonicContact OD2-NZ 3.09Å; D1166-K1218 PolarHBondContact OD2-NZ 3.2Å; D1166-K1218 VanDerWaalsContact OD2-NZ 3.1Å |
| 1167 | L | 88.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 173 | 178.2 | 64.5 | 0 | 0 | 0 | 111.1 | F1105 L1109 P1116 M1119 F1120 L1123 L1145 L1163 F1164 G1169 S1170 V1171 | F1105-L1167 HydrophobicContact CE1-CD2 4.17Å; F1105-L1167 HydrophobicContact CZ-CD2 4.35Å; L1109-L1167 HydrophobicContact CD1-CB 4.44Å; L1109-L1167 HydrophobicContact CD1-CD2 4.13Å; L1109-L1167 HydrophobicContact CD2-CD2 3.69Å; L1109-L1167 HydrophobicContact CG-CD2 4.41Å; P1116-L1167 HydrophobicContact CB-CB 4.12Å; M1119-L1167 HydrophobicContact CB-CD1 4.01Å; M1119-L1167 HydrophobicContact CE-CD2 4.25Å; F1120-L1167 HydrophobicContact CB-CD1 4.1Å; L1123-L1167 HydrophobicContact CD1-CD1 4.39Å; L1145-L1167 HydrophobicContact CD2-CD2 4.38Å; L1163-L1167 PolarHBondContact O-N 3.17Å; L1163-L1167 VanDerWaalsContact O-N 3.08Å; F1164-L1167 PolarHBondContact O-N 3.23Å; L1167-G1169 VanDerWaalsContact C-N 3.32Å; L1167-G1169 PolarHBondContact O-N 3.08Å; L1167-S1170 WeakPolarHBondContact O-CB 3.24Å; L1167-S1170 PolarHBondContact O-N 3.07Å; L1167-V1171 HydrophobicContact CD1-CG2 4.48Å; L1167-V1171 WeakPolarHBondContact O-CG2 3.3Å; L1167-V1171 PolarHBondContact O-N 3.25Å |
| 1168 | Y | 91.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | -179.4 | -160.1 | -79.3 | 0 | 0 | 0 | 111.6 | L1145 V1149 F1164 V1171 L1172 L1187 V1191 I1215 | L1145-Y1168 HydrophobicContact CB-CD2 4.06Å; L1145-Y1168 HydrophobicContact CB-CE2 3.95Å; L1145-Y1168 HydrophobicContact CD2-CD2 4.26Å; L1145-Y1168 HydrophobicContact CG-CD2 4.48Å; L1145-Y1168 WeakPolarHBondContact O-CE2 3.42Å; V1149-Y1168 HydrophobicContact CB-CE2 4.23Å; V1149-Y1168 HydrophobicContact CG2-CD1 4.42Å; V1149-Y1168 HydrophobicContact CG2-CD2 3.55Å; V1149-Y1168 HydrophobicContact CG2-CE1 4.37Å; V1149-Y1168 HydrophobicContact CG2-CE2 3.36Å; V1149-Y1168 HydrophobicContact CG2-CG 4.13Å; F1164-Y1168 AromaticContact CE1-CD2 3.99Å; F1164-Y1168 HydrophobicContact CE1-CD2 4.1Å; F1164-Y1168 HydrophobicContact CZ-CD2 4.42Å; F1164-Y1168 WeakPolarHBondContact O-CB 3.25Å; F1164-Y1168 PolarHBondContact O-N 3.03Å; Y1168-V1171 PolarHBondContact O-N 3.07Å; Y1168-L1172 HydrophobicContact CD1-CD1 3.9Å; Y1168-L1172 HydrophobicContact CD1-CG 4.05Å; Y1168-L1172 HydrophobicContact CE1-CD1 3.67Å; Y1168-L1172 HydrophobicContact CE1-CD2 4.4Å; Y1168-L1172 HydrophobicContact CE1-CG 3.9Å; Y1168-L1172 PolarHBondContact O-N 3.3Å; Y1168-L1187 HydrophobicContact CE1-CB 4.45Å; Y1168-L1187 HydrophobicContact CE1-CD2 4.45Å; Y1168-L1187 HydrophobicContact CE2-CD2 3.72Å; Y1168-L1187 VanDerWaalsContact OH-C 3.28Å; Y1168-L1187 VanDerWaalsContact OH-CA 3.23Å; Y1168-L1187 WeakPolarHBondContact OH-CA 3.31Å; Y1168-L1187 WeakPolarHBondContact OH-CB 3.17Å; Y1168-L1187 WeakPolarHBondContact OH-CD2 3.27Å; Y1168-L1187 PolarHBondContact OH-O 3.04Å; Y1168-V1191 HydrophobicContact CD1-CG2 4.22Å; Y1168-V1191 HydrophobicContact CE1-CG2 3.44Å; Y1168-V1191 VanDerWaalsContact CE1-CG2 3.41Å; Y1168-I1215 HydrophobicContact CD1-CD1 4.07Å; Y1168-I1215 HydrophobicContact CD1-CG1 4.44Å; Y1168-I1215 HydrophobicContact CD1-CG2 3.88Å; Y1168-I1215 HydrophobicContact CE1-CG2 4.48Å; Y1168-I1215 HydrophobicContact CG-CD1 4.34Å |
| 1169 | G | 90.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1165 D1166 L1167 L1172 A1173 K1218 | A1165-G1169 WeakPolarHBondContact O-CA 3.3Å; A1165-G1169 PolarHBondContact O-N 3.16Å; D1166-G1169 PolarHBondContact O-N 2.86Å; L1167-G1169 VanDerWaalsContact C-N 3.32Å; L1167-G1169 PolarHBondContact O-N 3.08Å; G1169-L1172 PolarHBondContact O-N 3.17Å; G1169-A1173 VanDerWaalsContact O-CB 3.26Å; G1169-A1173 WeakPolarHBondContact O-CB 3.3Å; G1169-A1173 PolarHBondContact O-N 3.22Å; G1169-K1218 VanDerWaalsContact C-CG 3.49Å |
| 1170 | S | 88.3 | Confident | 82.7 | Confident | 9.2 Ų | 9.2 | 29.1 Ų | 29.1 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 173.5 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | F1120 D1166 L1167 L1172 A1173 A1174 K1218 | F1120-S1170 VanDerWaalsContact CE2-O 3.31Å; F1120-S1170 WeakPolarHBondContact CE2-O 3.47Å; D1166-S1170 WeakPolarHBondContact O-CB 3.21Å; D1166-S1170 PolarHBondContact O-N 3.06Å; D1166-S1170 PolarHBondContact O-OG 3.16Å; D1166-S1170 VanDerWaalsContact O-OG 3.08Å; L1167-S1170 WeakPolarHBondContact O-CB 3.24Å; L1167-S1170 PolarHBondContact O-N 3.07Å; S1170-L1172 VanDerWaalsContact C-N 3.33Å; S1170-L1172 PolarHBondContact O-N 3.18Å; S1170-A1173 PolarHBondContact O-N 3.22Å; S1170-A1174 PolarHBondContact O-N 3.11Å; S1170-A1174 VanDerWaalsContact O-N 3.12Å; S1170-K1218 VanDerWaalsContact OG-CE 3.26Å; S1170-K1218 WeakPolarHBondContact OG-CE 3.32Å; S1170-K1218 PolarHBondContact OG-NZ 3.19Å |
| 1171 | V | 89.2 | Confident | 82.6 | Confident | 0.6 Ų | 0.6 | 29.5 Ų | 29.5 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111 | F1120 L1123 L1142 L1145 L1167 Y1168 A1174 S1175 F1179 L1187 | F1120-V1171 HydrophobicContact CD2-CG2 4.04Å; F1120-V1171 HydrophobicContact CE2-CG2 4.45Å; L1123-V1171 HydrophobicContact CD1-CG2 3.88Å; L1142-V1171 HydrophobicContact CD2-CG1 3.73Å; L1145-V1171 HydrophobicContact CD1-CG2 4.38Å; L1167-V1171 HydrophobicContact CD1-CG2 4.48Å; L1167-V1171 WeakPolarHBondContact O-CG2 3.3Å; L1167-V1171 PolarHBondContact O-N 3.25Å; Y1168-V1171 PolarHBondContact O-N 3.07Å; V1171-A1174 VanDerWaalsContact O-CB 3.28Å; V1171-A1174 WeakPolarHBondContact O-CB 3.35Å; V1171-A1174 PolarHBondContact O-N 2.92Å; V1171-S1175 VanDerWaalsContact O-CB 3.25Å; V1171-S1175 WeakPolarHBondContact O-CB 3.31Å; V1171-S1175 PolarHBondContact O-N 3.04Å; V1171-F1179 HydrophobicContact CG1-CD2 4.42Å; V1171-F1179 HydrophobicContact CG1-CE2 3.82Å; V1171-F1179 HydrophobicContact CG1-CZ 4.21Å; V1171-F1179 WeakPolarHBondContact O-CE2 3.22Å; V1171-L1187 HydrophobicContact CG1-CD1 3.84Å; V1171-L1187 HydrophobicContact CG1-CD2 4.49Å |
| 1172 | L | 89 | Confident | 82.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72 | -34.1 | 175 | -75.2 | -174.9 | 0 | 0 | 0 | 113.5 | Y1168 G1169 S1170 A1174 S1175 L1187 W1188 V1191 I1215 A1219 T1222 | Y1168-L1172 HydrophobicContact CD1-CD1 3.9Å; Y1168-L1172 HydrophobicContact CD1-CG 4.05Å; Y1168-L1172 HydrophobicContact CE1-CD1 3.67Å; Y1168-L1172 HydrophobicContact CE1-CD2 4.4Å; Y1168-L1172 HydrophobicContact CE1-CG 3.9Å; Y1168-L1172 PolarHBondContact O-N 3.3Å; G1169-L1172 PolarHBondContact O-N 3.17Å; S1170-L1172 VanDerWaalsContact C-N 3.33Å; S1170-L1172 PolarHBondContact O-N 3.18Å; L1172-A1174 VanDerWaalsContact C-N 3.26Å; L1172-A1174 PolarHBondContact O-N 3.23Å; L1172-S1175 WeakPolarHBondContact O-CB 3.44Å; L1172-S1175 PolarHBondContact O-N 2.75Å; L1172-S1175 PolarHBondContact O-OG 3.21Å; L1172-L1187 HydrophobicContact CD2-CB 3.7Å; L1172-L1187 HydrophobicContact CD2-CD1 4.39Å; L1172-W1188 HydrophobicContact CB-CZ2 4.2Å; L1172-W1188 HydrophobicContact CD1-CD2 4.24Å; L1172-W1188 HydrophobicContact CD1-CE3 4.16Å; L1172-W1188 HydrophobicContact CD1-CH2 3.84Å; L1172-W1188 HydrophobicContact CD1-CZ2 3.93Å; L1172-W1188 HydrophobicContact CD1-CZ3 3.97Å; L1172-W1188 HydrophobicContact CD2-CD2 4.13Å; L1172-W1188 HydrophobicContact CD2-CG 4.28Å; L1172-W1188 HydrophobicContact CD2-CZ2 4.19Å; L1172-W1188 HydrophobicContact CG-CZ2 4.36Å; L1172-V1191 HydrophobicContact CD1-CG2 4.08Å; L1172-I1215 HydrophobicContact CD1-CG2 3.77Å; L1172-A1219 HydrophobicContact CB-CB 3.73Å; L1172-A1219 HydrophobicContact CD1-CB 4.4Å; L1172-T1222 WeakPolarHBondContact O-CG2 3.27Å |
| 1173 | A | 86 | Confident | 82.3 | Confident | 40.6 Ų | 40.6 | 33.6 Ų | 33.6 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -71.1 | -25.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1169 S1170 S1175 K1218 T1222 | G1169-A1173 VanDerWaalsContact O-CB 3.26Å; G1169-A1173 WeakPolarHBondContact O-CB 3.3Å; G1169-A1173 PolarHBondContact O-N 3.22Å; S1170-A1173 PolarHBondContact O-N 3.22Å; A1173-S1175 VanDerWaalsContact C-N 3.33Å; A1173-S1175 PolarHBondContact O-N 3.44Å; A1173-K1218 VanDerWaalsContact CB-O 3.31Å; A1173-K1218 WeakPolarHBondContact CB-O 3.36Å; A1173-T1222 WeakPolarHBondContact O-CG2 3Å |
| 1174 | A | 78.4 | Confident | 82.4 | Confident | 20.6 Ų | 20.6 | 30.8 Ų | 30.8 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -69.8 | 104.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1120 S1170 V1171 L1172 T1176 L1178 F1179 | F1120-A1174 HydrophobicContact CE1-CB 4.31Å; F1120-A1174 HydrophobicContact CE2-CB 3.93Å; F1120-A1174 HydrophobicContact CZ-CB 3.65Å; S1170-A1174 PolarHBondContact O-N 3.11Å; S1170-A1174 VanDerWaalsContact O-N 3.12Å; V1171-A1174 VanDerWaalsContact O-CB 3.28Å; V1171-A1174 WeakPolarHBondContact O-CB 3.35Å; V1171-A1174 PolarHBondContact O-N 2.92Å; L1172-A1174 VanDerWaalsContact C-N 3.26Å; L1172-A1174 PolarHBondContact O-N 3.23Å; A1174-T1176 PolarHBondContact O-N 3.3Å; A1174-L1178 HydrophobicContact CB-CD1 4.15Å; A1174-L1178 HydrophobicContact CB-CD2 3.84Å; A1174-L1178 WeakPolarHBondContact O-CB 3.36Å; A1174-L1178 VanDerWaalsContact O-CD1 3.31Å; A1174-L1178 WeakPolarHBondContact O-CD1 3.21Å; A1174-F1179 HydrophobicContact CB-CD2 4.22Å; A1174-F1179 HydrophobicContact CB-CE2 3.7Å |
| 1175 | S | 66.8 | Low | 82.3 | Confident | 39.2 Ų | 39.2 | 31.1 Ų | 31.1 | 27% | 0.274 | 17% | 0.168 | S | C | . | . | trans | -68.4 | 127.4 | -168 | 106.4 | 0 | 0 | 0 | 0 | 113.5 | V1171 L1172 A1173 H1177 L1178 F1179 L1184 | V1171-S1175 VanDerWaalsContact O-CB 3.25Å; V1171-S1175 WeakPolarHBondContact O-CB 3.31Å; V1171-S1175 PolarHBondContact O-N 3.04Å; L1172-S1175 WeakPolarHBondContact O-CB 3.44Å; L1172-S1175 PolarHBondContact O-N 2.75Å; L1172-S1175 PolarHBondContact O-OG 3.21Å; A1173-S1175 VanDerWaalsContact C-N 3.33Å; A1173-S1175 PolarHBondContact O-N 3.44Å; S1175-H1177 VanDerWaalsContact C-N 3.26Å; S1175-H1177 PolarHBondContact O-N 3.14Å; S1175-H1177 VanDerWaalsContact O-N 3.08Å; S1175-L1178 WeakPolarHBondContact O-CB 3.19Å; S1175-L1178 PolarHBondContact O-N 3.08Å; S1175-L1178 WeakPolarHBondContact OG-CD1 3Å; S1175-F1179 PolarHBondContact O-N 3Å; S1175-L1184 WeakPolarHBondContact O-CD2 3.32Å; S1175-L1184 WeakPolarHBondContact OG-CD2 3.43Å | ||
| 1176 | T | 67.4 | Low | 82.2 | Confident | 21.6 Ų | 21.6 | 32 Ų | 32 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.4 | -174.6 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | M1081 A1174 M1181 L1184 T1222 H1225 F1226 | M1081-T1176 HydrophobicContact CE-CG2 4.18Å; A1174-T1176 PolarHBondContact O-N 3.3Å; T1176-M1181 WeakPolarHBondContact O-CE 3.41Å; T1176-L1184 HydrophobicContact CG2-CD1 4.46Å; T1176-T1222 HydrophobicContact CG2-CG2 4.16Å; T1176-H1225 HydrophobicContact CG2-CB 3.8Å; T1176-F1226 HydrophobicContact CG2-CE1 3.97Å; T1176-F1226 HydrophobicContact CG2-CE2 4.47Å; T1176-F1226 HydrophobicContact CG2-CZ 3.85Å |
| 1177 | H | 69.4 | Low | 82.3 | Confident | 142.2 Ų | 142.2 | 30.6 Ų | 30.6 | 66% | 0.658 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -12.6 | 177.9 | -66.3 | -28.4 | 0 | 0 | 0 | 114.2 | H1078 S1175 | H1078-H1177 AromaticContact CD2-CE1 3.57Å; H1078-H1177 AromaticContact NE2-CE1 3.75Å; H1078-H1177 AromaticContact NE2-NE2 3.82Å; S1175-H1177 VanDerWaalsContact C-N 3.26Å; S1175-H1177 PolarHBondContact O-N 3.14Å; S1175-H1177 VanDerWaalsContact O-N 3.08Å |
| 1178 | L | 76.6 | Confident | 82.5 | Confident | 39.6 Ų | 39.6 | 30.6 Ų | 30.6 | 21% | 0.207 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -38.4 | -173.7 | -138.9 | 84.4 | 0 | 0 | 0 | 113.3 | Y1124 A1127 T1128 A1174 S1175 | Y1124-L1178 HydrophobicContact CD2-CD1 3.98Å; Y1124-L1178 HydrophobicContact CD2-CD2 3.45Å; Y1124-L1178 HydrophobicContact CD2-CG 4.36Å; Y1124-L1178 HydrophobicContact CE2-CD1 3.93Å; Y1124-L1178 HydrophobicContact CE2-CD2 3.83Å; Y1124-L1178 HydrophobicContact CE2-CG 4.22Å; Y1124-L1178 HydrophobicContact CG-CD1 4.4Å; Y1124-L1178 HydrophobicContact CG-CD2 4.31Å; A1127-L1178 HydrophobicContact CB-CD1 3.66Å; A1127-L1178 HydrophobicContact CB-CD2 4.31Å; A1127-L1178 HydrophobicContact CB-CG 3.88Å; T1128-L1178 HydrophobicContact CG2-CD1 3.72Å; T1128-L1178 HydrophobicContact CG2-CD2 4.05Å; A1174-L1178 HydrophobicContact CB-CD1 4.15Å; A1174-L1178 HydrophobicContact CB-CD2 3.84Å; A1174-L1178 WeakPolarHBondContact O-CB 3.36Å; A1174-L1178 VanDerWaalsContact O-CD1 3.31Å; A1174-L1178 WeakPolarHBondContact O-CD1 3.21Å; S1175-L1178 WeakPolarHBondContact O-CB 3.19Å; S1175-L1178 PolarHBondContact O-N 3.08Å; S1175-L1178 WeakPolarHBondContact OG-CD1 3Å |
| 1179 | F | 81.3 | Confident | 82.2 | Confident | 16 Ų | 16 | 33 Ų | 33 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -113.1 | 153.3 | -175.7 | -58.1 | -58.9 | 0 | 0 | 0 | 111.4 | A1127 L1138 L1142 V1171 A1174 S1175 A1183 L1184 | A1127-F1179 HydrophobicContact CB-CE1 4.3Å; L1138-F1179 HydrophobicContact CD1-CE1 4.23Å; L1138-F1179 HydrophobicContact CD2-CD1 4.49Å; L1138-F1179 HydrophobicContact CD2-CE1 4.27Å; L1142-F1179 HydrophobicContact CD1-CD1 3.8Å; L1142-F1179 HydrophobicContact CD1-CE1 4.05Å; L1142-F1179 HydrophobicContact CD1-CG 4.41Å; L1142-F1179 HydrophobicContact CD2-CE1 4.49Å; V1171-F1179 HydrophobicContact CG1-CD2 4.42Å; V1171-F1179 HydrophobicContact CG1-CE2 3.82Å; V1171-F1179 HydrophobicContact CG1-CZ 4.21Å; V1171-F1179 WeakPolarHBondContact O-CE2 3.22Å; A1174-F1179 HydrophobicContact CB-CD2 4.22Å; A1174-F1179 HydrophobicContact CB-CE2 3.7Å; S1175-F1179 PolarHBondContact O-N 3Å; F1179-A1183 HydrophobicContact CB-CB 4.42Å; F1179-L1184 HydrophobicContact CB-CD1 4.16Å; F1179-L1184 HydrophobicContact CB-CD2 4.23Å; F1179-L1184 HydrophobicContact CB-CG 4.23Å; F1179-L1184 HydrophobicContact CD2-CD2 4.31Å; F1179-L1184 WeakPolarHBondContact O-CD1 3.47Å |
| 1180 | S | 79.4 | Confident | 82 | Confident | 70.2 Ų | 70.2 | 33.2 Ų | 33.2 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | trans | -65.6 | 147.8 | 176.3 | 75.6 | 0 | 0 | 0 | 0 | 111.2 | R1182 A1183 L1184 | S1180-R1182 PolarHBondContact O-N 3.2Å; S1180-R1182 VanDerWaalsContact O-N 3.12Å; S1180-A1183 WeakPolarHBondContact O-CA 3.37Å; S1180-A1183 WeakPolarHBondContact O-CB 3.23Å; S1180-A1183 PolarHBondContact O-N 3.33Å; S1180-A1183 WeakPolarHBondContact OG-CB 3.45Å; S1180-A1183 PolarHBondContact OG-N 3.25Å; S1180-A1183 VanDerWaalsContact OG-N 3.17Å; S1180-L1184 VanDerWaalsContact O-CD1 3.26Å; S1180-L1184 WeakPolarHBondContact O-CD1 3.22Å; S1180-L1184 WeakPolarHBondContact O-CG 3.49Å; S1180-L1184 PolarHBondContact O-N 3.02Å | ||
| 1181 | M | 79.1 | Confident | 82.1 | Confident | 58.4 Ų | 58.4 | 32.8 Ų | 32.8 | 29% | 0.288 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.2 | -28.2 | 177 | -89 | -46.6 | -166.8 | 0 | 0 | 113.4 | M1081 E1082 L1083 T1176 L1184 S1185 F1226 | M1081-M1181 HydrophobicContact CB-CE 3.91Å; M1081-M1181 VanDerWaalsContact CB-CE 3.41Å; M1081-M1181 HydrophobicContact CB-SD 4.36Å; M1081-M1181 HydrophobicContact CE-CE 3.67Å; M1081-M1181 HydrophobicContact CE-SD 4.34Å; M1081-M1181 HydrophobicContact CG-CE 4.11Å; M1081-M1181 HydrophobicContact CG-CG 4.49Å; M1081-M1181 HydrophobicContact CG-SD 4.14Å; M1081-M1181 HydrophobicContact SD-CE 3.76Å; M1081-M1181 WeakPolarHBondContact SD-CE 3.18Å; M1081-M1181 HydrophobicContact SD-CG 3.57Å; M1081-M1181 VanDerWaalsContact SD-CG 3.56Å; M1081-M1181 WeakPolarHBondContact SD-CG 3.44Å; M1081-M1181 HydrophobicContact SD-SD 3.68Å; E1082-M1181 VanDerWaalsContact O-CE 3.3Å; E1082-M1181 WeakPolarHBondContact O-CE 3.42Å; L1083-M1181 HydrophobicContact CD2-CE 3.65Å; L1083-M1181 VanDerWaalsContact CD2-CE 3.44Å; L1083-M1181 HydrophobicContact CD2-SD 4.29Å; L1083-M1181 HydrophobicContact CG-CE 4.12Å; T1176-M1181 WeakPolarHBondContact O-CE 3.41Å; M1181-L1184 HydrophobicContact CE-CD1 3.82Å; M1181-L1184 HydrophobicContact SD-CB 4.46Å; M1181-L1184 HydrophobicContact SD-CD1 4.02Å; M1181-S1185 VanDerWaalsContact O-CB 3.27Å; M1181-S1185 WeakPolarHBondContact O-CB 3.33Å; M1181-S1185 PolarHBondContact O-N 3.12Å; M1181-S1185 PolarHBondContact O-OG 3.22Å; M1181-F1226 HydrophobicContact CE-CD1 4.18Å; M1181-F1226 HydrophobicContact CE-CE1 4.2Å; M1181-F1226 HydrophobicContact SD-CE1 4.26Å |
| 1182 | R | 78.9 | Confident | 82 | Confident | 147.4 Ų | 147.4 | 33.3 Ų | 33.3 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -66.5 | -42.3 | 172.7 | -174.2 | 177.3 | -168.6 | 94.6 | 2.5 | 112.1 | E1088 S1180 S1185 M1186 | E1088-R1182 IonicContact OE2-CZ 3.84Å; E1088-R1182 IonicContact OE2-NE 2.72Å; E1088-R1182 IonicContact OE2-NH1 3.83Å; E1088-R1182 PolarHBondContact OE2-NH1 2.8Å; E1088-R1182 IonicContact OE2-NH2 3.98Å; E1088-R1182 PolarHBondContact OE2-NH2 2.86Å; S1180-R1182 PolarHBondContact O-N 3.2Å; S1180-R1182 VanDerWaalsContact O-N 3.12Å; R1182-S1185 WeakPolarHBondContact CA-OG 3.37Å; R1182-S1185 PolarHBondContact O-N 3.02Å; R1182-S1185 PolarHBondContact O-OG 3.3Å; R1182-M1186 WeakPolarHBondContact O-CB 3.39Å; R1182-M1186 WeakPolarHBondContact O-CG 3.44Å; R1182-M1186 PolarHBondContact O-N 3.31Å; R1182-M1186 VanDerWaalsContact O-N 3.14Å |
| 1183 | A | 82.3 | Confident | 81.8 | Confident | 4.6 Ų | 4.6 | 35.6 Ų | 35.6 | 4% | 0.038 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1142 F1179 S1180 S1185 M1186 L1187 | L1142-A1183 HydrophobicContact CD1-CB 4.07Å; F1179-A1183 HydrophobicContact CB-CB 4.42Å; S1180-A1183 WeakPolarHBondContact O-CA 3.37Å; S1180-A1183 WeakPolarHBondContact O-CB 3.23Å; S1180-A1183 PolarHBondContact O-N 3.33Å; S1180-A1183 WeakPolarHBondContact OG-CB 3.45Å; S1180-A1183 PolarHBondContact OG-N 3.25Å; S1180-A1183 VanDerWaalsContact OG-N 3.17Å; A1183-S1185 VanDerWaalsContact C-N 3.31Å; A1183-S1185 PolarHBondContact O-N 3.31Å; A1183-M1186 WeakPolarHBondContact O-CB 3.4Å; A1183-M1186 PolarHBondContact O-N 3.05Å; A1183-M1186 VanDerWaalsContact O-N 3.16Å; A1183-L1187 VanDerWaalsContact O-CG 3.26Å; A1183-L1187 WeakPolarHBondContact O-CG 3.4Å; A1183-L1187 PolarHBondContact O-N 3.28Å |
| 1184 | L | 86.4 | Confident | 81.8 | Confident | 1.8 Ų | 1.8 | 35.1 Ų | 35.1 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 176.2 | -73.9 | 155.8 | 0 | 0 | 0 | 112.4 | L1083 S1175 T1176 F1179 S1180 M1181 M1186 L1187 W1188 F1226 | L1083-L1184 HydrophobicContact CD2-CB 4.09Å; S1175-L1184 WeakPolarHBondContact O-CD2 3.32Å; S1175-L1184 WeakPolarHBondContact OG-CD2 3.43Å; T1176-L1184 HydrophobicContact CG2-CD1 4.46Å; F1179-L1184 HydrophobicContact CB-CD1 4.16Å; F1179-L1184 HydrophobicContact CB-CD2 4.23Å; F1179-L1184 HydrophobicContact CB-CG 4.23Å; F1179-L1184 HydrophobicContact CD2-CD2 4.31Å; F1179-L1184 WeakPolarHBondContact O-CD1 3.47Å; S1180-L1184 VanDerWaalsContact O-CD1 3.26Å; S1180-L1184 WeakPolarHBondContact O-CD1 3.22Å; S1180-L1184 WeakPolarHBondContact O-CG 3.49Å; S1180-L1184 PolarHBondContact O-N 3.02Å; M1181-L1184 HydrophobicContact CE-CD1 3.82Å; M1181-L1184 HydrophobicContact SD-CB 4.46Å; M1181-L1184 HydrophobicContact SD-CD1 4.02Å; L1184-M1186 VanDerWaalsContact C-N 3.31Å; L1184-M1186 PolarHBondContact O-N 3.24Å; L1184-L1187 PolarHBondContact O-N 3.18Å; L1184-W1188 WeakPolarHBondContact O-CB 3.43Å; L1184-W1188 PolarHBondContact O-N 3.27Å; L1184-F1226 HydrophobicContact CD1-CE1 4.47Å; L1184-F1226 HydrophobicContact CD1-CZ 4.29Å; L1184-F1226 HydrophobicContact CD2-CE1 4.11Å; L1184-F1226 HydrophobicContact CD2-CZ 3.94Å |
| 1185 | S | 84.6 | Confident | 82.1 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -36.7 | 177.4 | -21.1 | 0 | 0 | 0 | 0 | 112.4 | L1083 S1084 M1181 R1182 A1183 R1189 | L1083-S1185 WeakPolarHBondContact CD2-OG 3.43Å; S1084-S1185 PolarHBondContact N-OG 3.21Å; S1084-S1185 WeakPolarHBondContact O-CB 3.33Å; M1181-S1185 VanDerWaalsContact O-CB 3.27Å; M1181-S1185 WeakPolarHBondContact O-CB 3.33Å; M1181-S1185 PolarHBondContact O-N 3.12Å; M1181-S1185 PolarHBondContact O-OG 3.22Å; R1182-S1185 WeakPolarHBondContact CA-OG 3.37Å; R1182-S1185 PolarHBondContact O-N 3.02Å; R1182-S1185 PolarHBondContact O-OG 3.3Å; A1183-S1185 VanDerWaalsContact C-N 3.31Å; A1183-S1185 PolarHBondContact O-N 3.31Å; S1185-R1189 VanDerWaalsContact O-CB 3.24Å; S1185-R1189 WeakPolarHBondContact O-CB 3.32Å; S1185-R1189 VanDerWaalsContact O-CG 3.31Å; S1185-R1189 WeakPolarHBondContact O-CG 3.47Å; S1185-R1189 PolarHBondContact O-N 3.17Å; S1185-R1189 VanDerWaalsContact O-N 3.15Å; S1185-R1189 PolarHBondContact O-NE 2.91Å |
| 1186 | M | 86.2 | Confident | 82.8 | Confident | 20.2 Ų | 20.2 | 36.8 Ų | 36.8 | 10% | 0.1 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 173.6 | -166 | -173.6 | 31.6 | 0 | 0 | 112 | I1090 L1142 R1143 A1146 R1182 A1183 L1184 R1189 S1190 | I1090-M1186 HydrophobicContact CD1-CB 3.93Å; I1090-M1186 HydrophobicContact CD1-CG 4.04Å; I1090-M1186 HydrophobicContact CD1-SD 3.97Å; I1090-M1186 WeakPolarHBondContact CD1-SD 3.39Å; I1090-M1186 HydrophobicContact CG1-CG 4.22Å; I1090-M1186 HydrophobicContact CG1-SD 4.36Å; I1090-M1186 HydrophobicContact CG2-SD 4.15Å; L1142-M1186 HydrophobicContact CB-CE 4.27Å; L1142-M1186 WeakPolarHBondContact O-CE 3.31Å; R1143-M1186 HydrophobicContact CB-CE 4.31Å; R1143-M1186 HydrophobicContact CB-SD 4.33Å; R1143-M1186 HydrophobicContact CG-CE 3.8Å; R1143-M1186 HydrophobicContact CG-SD 3.9Å; A1146-M1186 HydrophobicContact CB-CE 3.91Å; A1146-M1186 HydrophobicContact CB-CG 3.71Å; A1146-M1186 HydrophobicContact CB-SD 4.02Å; R1182-M1186 WeakPolarHBondContact O-CB 3.39Å; R1182-M1186 WeakPolarHBondContact O-CG 3.44Å; R1182-M1186 PolarHBondContact O-N 3.31Å; R1182-M1186 VanDerWaalsContact O-N 3.14Å; A1183-M1186 WeakPolarHBondContact O-CB 3.4Å; A1183-M1186 PolarHBondContact O-N 3.05Å; A1183-M1186 VanDerWaalsContact O-N 3.16Å; L1184-M1186 VanDerWaalsContact C-N 3.31Å; L1184-M1186 PolarHBondContact O-N 3.24Å; M1186-R1189 WeakPolarHBondContact O-CB 3.33Å; M1186-R1189 PolarHBondContact O-N 3.11Å; M1186-S1190 PolarHBondContact O-N 3.22Å; M1186-S1190 VanDerWaalsContact O-N 3.1Å; M1186-S1190 PolarHBondContact O-OG 3.14Å |
| 1187 | L | 89.6 | Confident | 83.5 | Confident | 0.4 Ų | 0.4 | 40.3 Ų | 40.3 | 0% | 0.002 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -45.6 | -179.2 | -67.4 | 163.7 | 0 | 0 | 0 | 112 | L1142 L1145 A1146 Y1168 V1171 L1172 A1183 L1184 R1189 S1190 V1191 | L1142-L1187 HydrophobicContact CD2-CD1 4.32Å; L1145-L1187 HydrophobicContact CB-CD2 4.4Å; A1146-L1187 HydrophobicContact CB-CD2 4.2Å; Y1168-L1187 HydrophobicContact CE1-CB 4.45Å; Y1168-L1187 HydrophobicContact CE1-CD2 4.45Å; Y1168-L1187 HydrophobicContact CE2-CD2 3.72Å; Y1168-L1187 VanDerWaalsContact OH-C 3.28Å; Y1168-L1187 VanDerWaalsContact OH-CA 3.23Å; Y1168-L1187 WeakPolarHBondContact OH-CA 3.31Å; Y1168-L1187 WeakPolarHBondContact OH-CB 3.17Å; Y1168-L1187 WeakPolarHBondContact OH-CD2 3.27Å; Y1168-L1187 PolarHBondContact OH-O 3.04Å; V1171-L1187 HydrophobicContact CG1-CD1 3.84Å; V1171-L1187 HydrophobicContact CG1-CD2 4.49Å; L1172-L1187 HydrophobicContact CD2-CB 3.7Å; L1172-L1187 HydrophobicContact CD2-CD1 4.39Å; A1183-L1187 VanDerWaalsContact O-CG 3.26Å; A1183-L1187 WeakPolarHBondContact O-CG 3.4Å; A1183-L1187 PolarHBondContact O-N 3.28Å; L1184-L1187 PolarHBondContact O-N 3.18Å; L1187-R1189 VanDerWaalsContact C-N 3.34Å; L1187-R1189 PolarHBondContact O-N 2.99Å; L1187-S1190 PolarHBondContact O-N 3.05Å; L1187-V1191 PolarHBondContact O-N 3.25Å |
| 1188 | W | 91.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | 175.9 | -81.8 | 114.7 | 0 | 0 | 0 | 112.4 | L1083 F1085 L1172 L1184 S1190 V1191 L1192 L1216 A1219 T1222 F1223 F1226 L1229 | L1083-W1188 HydrophobicContact CD1-CB 4.02Å; L1083-W1188 VanDerWaalsContact CD1-CD1 3.48Å; L1083-W1188 HydrophobicContact CD1-CG 3.85Å; F1085-W1188 HydrophobicContact CE1-CB 4.01Å; F1085-W1188 HydrophobicContact CZ-CB 4.48Å; L1172-W1188 HydrophobicContact CB-CZ2 4.2Å; L1172-W1188 HydrophobicContact CD1-CD2 4.24Å; L1172-W1188 HydrophobicContact CD1-CE3 4.16Å; L1172-W1188 HydrophobicContact CD1-CH2 3.84Å; L1172-W1188 HydrophobicContact CD1-CZ2 3.93Å; L1172-W1188 HydrophobicContact CD1-CZ3 3.97Å; L1172-W1188 HydrophobicContact CD2-CD2 4.13Å; L1172-W1188 HydrophobicContact CD2-CG 4.28Å; L1172-W1188 HydrophobicContact CD2-CZ2 4.19Å; L1172-W1188 HydrophobicContact CG-CZ2 4.36Å; L1184-W1188 WeakPolarHBondContact O-CB 3.43Å; L1184-W1188 PolarHBondContact O-N 3.27Å; W1188-S1190 VanDerWaalsContact C-N 3.31Å; W1188-S1190 PolarHBondContact O-N 3.07Å; W1188-V1191 HydrophobicContact CZ3-CG1 4.47Å; W1188-V1191 PolarHBondContact O-N 3.12Å; W1188-L1192 WeakPolarHBondContact O-CB 3.31Å; W1188-L1192 WeakPolarHBondContact O-CG 3.35Å; W1188-L1192 PolarHBondContact O-N 3.22Å; W1188-L1216 HydrophobicContact CH2-CD2 4.4Å; W1188-L1216 HydrophobicContact CZ3-CD2 3.95Å; W1188-A1219 HydrophobicContact CH2-CB 3.72Å; W1188-A1219 HydrophobicContact CZ2-CB 3.99Å; W1188-T1222 WeakPolarHBondContact CZ2-OG1 3.39Å; W1188-F1223 HydrophobicContact CH2-CD1 4.13Å; W1188-F1223 AromaticContact CH2-CE1 3.68Å; W1188-F1223 HydrophobicContact CH2-CE1 3.68Å; W1188-F1223 HydrophobicContact CZ2-CE1 4.39Å; W1188-F1223 HydrophobicContact CZ3-CE1 4.23Å; W1188-F1226 AromaticContact NE1-CD2 3.93Å; W1188-F1226 AromaticContact NE1-CE2 3.46Å; W1188-F1226 VanDerWaalsContact NE1-CE2 3.34Å; W1188-F1226 AromaticContact NE1-CZ 3.95Å; W1188-L1229 HydrophobicContact CB-CD1 4.38Å; W1188-L1229 HydrophobicContact CD2-CD1 3.81Å; W1188-L1229 HydrophobicContact CD2-CD2 3.62Å; W1188-L1229 HydrophobicContact CD2-CG 4.38Å; W1188-L1229 VanDerWaalsContact CE2-CD2 3.46Å; W1188-L1229 HydrophobicContact CE3-CD1 3.56Å; W1188-L1229 VanDerWaalsContact CE3-CD1 3.47Å; W1188-L1229 HydrophobicContact CE3-CD2 3.84Å; W1188-L1229 HydrophobicContact CE3-CG 4.33Å; W1188-L1229 HydrophobicContact CG-CD1 4.19Å; W1188-L1229 HydrophobicContact CG-CD2 4.27Å; W1188-L1229 HydrophobicContact CH2-CD2 3.91Å; W1188-L1229 HydrophobicContact CZ2-CD2 3.67Å; W1188-L1229 HydrophobicContact CZ3-CD1 4.15Å; W1188-L1229 HydrophobicContact CZ3-CD2 3.98Å |
| 1189 | R | 86.5 | Confident | 83.6 | Confident | 49.4 Ų | 49.4 | 36.1 Ų | 36.1 | 19% | 0.186 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 172.9 | -167.2 | -173.6 | -77.2 | 112.9 | -3.3 | 111.8 | S1084 F1085 V1086 N1087 S1185 M1186 L1187 V1191 L1192 A1193 | S1084-R1189 PolarHBondContact O-NE 3.2Å; S1084-R1189 PolarHBondContact O-NH2 3.1Å; F1085-R1189 VanDerWaalsContact C-NH1 3.31Å; F1085-R1189 VanDerWaalsContact CA-NH2 3.33Å; F1085-R1189 HydrophobicContact CB-CG 4.26Å; F1085-R1189 HydrophobicContact CD1-CB 4.2Å; F1085-R1189 HydrophobicContact CD1-CG 4.19Å; F1085-R1189 VanDerWaalsContact O-CZ 3.31Å; F1085-R1189 PolarHBondContact O-NH1 3.15Å; F1085-R1189 PolarHBondContact O-NH2 3.42Å; V1086-R1189 VanDerWaalsContact C-NH1 3.3Å; V1086-R1189 VanDerWaalsContact O-CD 3.27Å; V1086-R1189 WeakPolarHBondContact O-CD 3.47Å; V1086-R1189 VanDerWaalsContact O-CZ 3.28Å; V1086-R1189 PolarHBondContact O-NE 2.84Å; V1086-R1189 VanDerWaalsContact O-NE 3.14Å; V1086-R1189 PolarHBondContact O-NH1 3.26Å; V1086-R1189 PolarHBondContact O-NH2 3.08Å; N1087-R1189 PolarHBondContact O-NE 2.81Å; N1087-R1189 PolarHBondContact O-NH1 3.45Å; N1087-R1189 PolarHBondContact O-NH2 3.19Å; N1087-R1189 PolarHBondContact OD1-NH1 2.93Å; N1087-R1189 VanDerWaalsContact OD1-NH1 3.08Å; S1185-R1189 VanDerWaalsContact O-CB 3.24Å; S1185-R1189 WeakPolarHBondContact O-CB 3.32Å; S1185-R1189 VanDerWaalsContact O-CG 3.31Å; S1185-R1189 WeakPolarHBondContact O-CG 3.47Å; S1185-R1189 PolarHBondContact O-N 3.17Å; S1185-R1189 VanDerWaalsContact O-N 3.15Å; S1185-R1189 PolarHBondContact O-NE 2.91Å; M1186-R1189 WeakPolarHBondContact O-CB 3.33Å; M1186-R1189 PolarHBondContact O-N 3.11Å; L1187-R1189 VanDerWaalsContact C-N 3.34Å; L1187-R1189 PolarHBondContact O-N 2.99Å; R1189-V1191 VanDerWaalsContact C-N 3.33Å; R1189-V1191 PolarHBondContact O-N 3.11Å; R1189-L1192 PolarHBondContact O-N 3.29Å; R1189-A1193 VanDerWaalsContact O-CB 3.25Å; R1189-A1193 WeakPolarHBondContact O-CB 3.4Å; R1189-A1193 PolarHBondContact O-N 3.25Å |
| 1190 | S | 86.2 | Confident | 82.7 | Confident | 4.4 Ų | 4.4 | 40.3 Ų | 40.3 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -40.1 | -178.6 | -62 | 0 | 0 | 0 | 0 | 112 | A1146 M1186 L1187 W1188 R1194 | A1146-S1190 VanDerWaalsContact C-OG 3.32Å; A1146-S1190 WeakPolarHBondContact CA-OG 3.25Å; A1146-S1190 WeakPolarHBondContact CB-OG 3.37Å; A1146-S1190 VanDerWaalsContact O-CB 3.25Å; A1146-S1190 WeakPolarHBondContact O-CB 3.3Å; A1146-S1190 PolarHBondContact O-OG 2.98Å; A1146-S1190 VanDerWaalsContact O-OG 3.09Å; M1186-S1190 PolarHBondContact O-N 3.22Å; M1186-S1190 VanDerWaalsContact O-N 3.1Å; M1186-S1190 PolarHBondContact O-OG 3.14Å; L1187-S1190 PolarHBondContact O-N 3.05Å; W1188-S1190 VanDerWaalsContact C-N 3.31Å; W1188-S1190 PolarHBondContact O-N 3.07Å; S1190-R1194 PolarHBondContact O-N 2.98Å; S1190-R1194 VanDerWaalsContact O-N 3.14Å |
| 1191 | V | 89.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | 173.2 | 175 | 0 | 0 | 0 | 0 | 111 | V1149 Y1168 L1172 L1187 W1188 R1189 A1193 R1194 L1195 M1212 I1215 L1216 | V1149-V1191 HydrophobicContact CG1-CG2 4.33Å; Y1168-V1191 HydrophobicContact CD1-CG2 4.22Å; Y1168-V1191 HydrophobicContact CE1-CG2 3.44Å; Y1168-V1191 VanDerWaalsContact CE1-CG2 3.41Å; L1172-V1191 HydrophobicContact CD1-CG2 4.08Å; L1187-V1191 PolarHBondContact O-N 3.25Å; W1188-V1191 HydrophobicContact CZ3-CG1 4.47Å; W1188-V1191 PolarHBondContact O-N 3.12Å; R1189-V1191 VanDerWaalsContact C-N 3.33Å; R1189-V1191 PolarHBondContact O-N 3.11Å; V1191-A1193 PolarHBondContact O-N 3.43Å; V1191-R1194 PolarHBondContact O-N 3.06Å; V1191-L1195 HydrophobicContact CG1-CD1 3.86Å; V1191-L1195 HydrophobicContact CG1-CG 4.31Å; V1191-L1195 WeakPolarHBondContact O-CB 3.23Å; V1191-L1195 WeakPolarHBondContact O-CG 3.37Å; V1191-L1195 PolarHBondContact O-N 3.06Å; V1191-M1212 HydrophobicContact CG1-SD 4.29Å; V1191-I1215 HydrophobicContact CG2-CG2 4.22Å; V1191-L1216 HydrophobicContact CG1-CD2 4.18Å |
| 1192 | L | 87.8 | Confident | 81.1 | Confident | 12.2 Ų | 12.2 | 43.6 Ų | 43.6 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 179 | -71.3 | 171.7 | 0 | 0 | 0 | 111.7 | F1085 W1188 R1189 R1194 L1195 F1196 L1229 C1232 L1233 | F1085-L1192 HydrophobicContact CD1-CD1 4.07Å; F1085-L1192 HydrophobicContact CD2-CD1 4.43Å; F1085-L1192 HydrophobicContact CE1-CD1 3.62Å; F1085-L1192 VanDerWaalsContact CE1-CD1 3.48Å; F1085-L1192 HydrophobicContact CE2-CD1 4.11Å; F1085-L1192 HydrophobicContact CG-CD1 4.42Å; F1085-L1192 HydrophobicContact CZ-CD1 3.64Å; W1188-L1192 WeakPolarHBondContact O-CB 3.31Å; W1188-L1192 WeakPolarHBondContact O-CG 3.35Å; W1188-L1192 PolarHBondContact O-N 3.22Å; R1189-L1192 PolarHBondContact O-N 3.29Å; L1192-R1194 PolarHBondContact O-N 3.11Å; L1192-R1194 VanDerWaalsContact O-N 3.17Å; L1192-L1195 PolarHBondContact O-N 3.13Å; L1192-L1195 VanDerWaalsContact O-N 3.11Å; L1192-F1196 HydrophobicContact CD2-CE2 4.37Å; L1192-F1196 VanDerWaalsContact O-CD2 3.29Å; L1192-F1196 WeakPolarHBondContact O-CD2 3.34Å; L1192-F1196 PolarHBondContact O-N 3.36Å; L1192-L1229 HydrophobicContact CD1-CD1 4.21Å; L1192-C1232 HydrophobicContact CD1-CB 3.9Å; L1192-C1232 HydrophobicContact CD2-CB 3.95Å; L1192-L1233 HydrophobicContact CD2-CD2 3.76Å; L1192-L1233 HydrophobicContact CD2-CG 4.29Å |
| 1193 | A | 84.7 | Confident | 80.3 | Confident | 48.4 Ų | 48.4 | 43.4 Ų | 43.4 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.7 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1189 V1191 T1197 | R1189-A1193 VanDerWaalsContact O-CB 3.25Å; R1189-A1193 WeakPolarHBondContact O-CB 3.4Å; R1189-A1193 PolarHBondContact O-N 3.25Å; V1191-A1193 PolarHBondContact O-N 3.43Å; A1193-T1197 WeakPolarHBondContact O-CG2 3.36Å; A1193-T1197 PolarHBondContact O-N 3.22Å; A1193-T1197 PolarHBondContact O-OG1 3.06Å |
| 1194 | R | 84.6 | Confident | 79.3 | Confident | 31.2 Ų | 31.2 | 48.2 Ų | 48.2 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.8 | -41.7 | 175.2 | -164.4 | 67.6 | -171.3 | 178.8 | 1.8 | 112.8 | V1149 S1150 R1151 L1153 S1190 V1191 L1192 F1196 T1197 L1198 L1208 M1212 | V1149-R1194 HydrophobicContact CG1-CB 4.42Å; V1149-R1194 PolarHBondContact O-NE 2.9Å; V1149-R1194 PolarHBondContact O-NH2 3.39Å; V1149-R1194 VanDerWaalsContact O-NH2 3.09Å; S1150-R1194 PolarHBondContact O-NH2 2.61Å; R1151-R1194 PolarHBondContact O-NH1 3.35Å; R1151-R1194 PolarHBondContact O-NH2 3.38Å; L1153-R1194 HydrophobicContact CD2-CG 4.38Å; S1190-R1194 PolarHBondContact O-N 2.98Å; S1190-R1194 VanDerWaalsContact O-N 3.14Å; V1191-R1194 PolarHBondContact O-N 3.06Å; L1192-R1194 PolarHBondContact O-N 3.11Å; L1192-R1194 VanDerWaalsContact O-N 3.17Å; R1194-F1196 VanDerWaalsContact C-N 3.29Å; R1194-F1196 PolarHBondContact O-N 3.19Å; R1194-T1197 WeakPolarHBondContact CA-OG1 3.42Å; R1194-T1197 PolarHBondContact O-N 3.2Å; R1194-T1197 VanDerWaalsContact O-N 3.11Å; R1194-T1197 PolarHBondContact O-OG1 2.92Å; R1194-T1197 VanDerWaalsContact O-OG1 3.13Å; R1194-L1198 WeakPolarHBondContact O-CD1 3.15Å; R1194-L1198 WeakPolarHBondContact O-CG 3.4Å; R1194-L1198 PolarHBondContact O-N 3.19Å; R1194-L1208 HydrophobicContact CG-CD2 4.05Å; R1194-L1208 VanDerWaalsContact NH2-CD1 3.27Å; R1194-M1212 HydrophobicContact CB-CE 4.42Å; R1194-M1212 HydrophobicContact CB-SD 4.25Å; R1194-M1212 HydrophobicContact CG-CE 4.38Å; R1194-M1212 HydrophobicContact CG-SD 4.25Å |
| 1195 | L | 84.9 | Confident | 78.2 | Confident | 0.6 Ų | 0.6 | 54.6 Ų | 54.6 | 0% | 0.003 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -37.5 | 176.3 | -73.2 | 172.7 | 0 | 0 | 0 | 113.1 | V1191 L1192 T1197 L1198 M1212 L1216 L1233 V1238 F1242 | V1191-L1195 HydrophobicContact CG1-CD1 3.86Å; V1191-L1195 HydrophobicContact CG1-CG 4.31Å; V1191-L1195 WeakPolarHBondContact O-CB 3.23Å; V1191-L1195 WeakPolarHBondContact O-CG 3.37Å; V1191-L1195 PolarHBondContact O-N 3.06Å; L1192-L1195 PolarHBondContact O-N 3.13Å; L1192-L1195 VanDerWaalsContact O-N 3.11Å; L1195-T1197 VanDerWaalsContact C-N 3.33Å; L1195-L1198 HydrophobicContact CD2-CD1 4.3Å; L1195-L1198 PolarHBondContact O-N 2.66Å; L1195-M1212 HydrophobicContact CD2-CB 3.94Å; L1195-M1212 HydrophobicContact CD2-CG 4.15Å; L1195-M1212 HydrophobicContact CD2-SD 4.35Å; L1195-M1212 HydrophobicContact CG-SD 4.25Å; L1195-L1216 HydrophobicContact CD1-CD1 4.04Å; L1195-L1216 HydrophobicContact CD1-CD2 4.43Å; L1195-L1216 HydrophobicContact CD2-CD1 4.43Å; L1195-L1233 HydrophobicContact CD1-CD2 3.79Å; L1195-V1238 HydrophobicContact CD2-CG2 4.36Å; L1195-V1238 WeakPolarHBondContact O-CG2 3.48Å; L1195-F1242 HydrophobicContact CD1-CZ 4.43Å; L1195-F1242 HydrophobicContact CD2-CE1 4.3Å; L1195-F1242 HydrophobicContact CD2-CZ 4.03Å |
| 1196 | F | 82.3 | Confident | 78 | Confident | 95 Ų | 95 | 56 Ų | 56 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -79.3 | -15.7 | 178.3 | -84.2 | -89.9 | 0 | 0 | 0 | 113.9 | L1192 R1194 C1232 S1235 C1236 P1237 | L1192-F1196 HydrophobicContact CD2-CE2 4.37Å; L1192-F1196 VanDerWaalsContact O-CD2 3.29Å; L1192-F1196 WeakPolarHBondContact O-CD2 3.34Å; L1192-F1196 PolarHBondContact O-N 3.36Å; R1194-F1196 VanDerWaalsContact C-N 3.29Å; R1194-F1196 PolarHBondContact O-N 3.19Å; F1196-C1232 WeakPolarHBondContact CZ-O 3.28Å; F1196-S1235 WeakPolarHBondContact CE1-O 3.31Å; F1196-S1235 WeakPolarHBondContact CZ-O 3.23Å; F1196-C1236 HydrophobicContact CE2-CB 4.41Å; F1196-C1236 WeakPolarHBondContact CE2-SG 3.35Å; F1196-C1236 HydrophobicContact CZ-CB 4.45Å; F1196-P1237 HydrophobicContact CD1-CG 4.3Å |
| 1197 | T | 81.5 | Confident | 77.7 | Confident | 94.6 Ų | 94.6 | 57.6 Ų | 57.6 | 58% | 0.58 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -91.5 | -9.7 | 174.4 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | A1193 R1194 L1195 | A1193-T1197 WeakPolarHBondContact O-CG2 3.36Å; A1193-T1197 PolarHBondContact O-N 3.22Å; A1193-T1197 PolarHBondContact O-OG1 3.06Å; R1194-T1197 WeakPolarHBondContact CA-OG1 3.42Å; R1194-T1197 PolarHBondContact O-N 3.2Å; R1194-T1197 VanDerWaalsContact O-N 3.11Å; R1194-T1197 PolarHBondContact O-OG1 2.92Å; R1194-T1197 VanDerWaalsContact O-OG1 3.13Å; L1195-T1197 VanDerWaalsContact C-N 3.33Å |
| 1198 | L | 78.9 | Confident | 77.4 | Confident | 13.6 Ų | 13.6 | 58.1 Ų | 58.1 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -69.6 | 130.6 | 173.8 | -80.5 | 152 | 0 | 0 | 0 | 110.5 | R1194 L1195 T1202 L1208 F1209 M1212 V1238 | R1194-L1198 WeakPolarHBondContact O-CD1 3.15Å; R1194-L1198 WeakPolarHBondContact O-CG 3.4Å; R1194-L1198 PolarHBondContact O-N 3.19Å; L1195-L1198 HydrophobicContact CD2-CD1 4.3Å; L1195-L1198 PolarHBondContact O-N 2.66Å; L1198-T1202 HydrophobicContact CB-CG2 4.26Å; L1198-T1202 HydrophobicContact CD2-CG2 3.73Å; L1198-T1202 HydrophobicContact CG-CG2 4.45Å; L1198-L1208 HydrophobicContact CD1-CD2 3.92Å; L1198-L1208 HydrophobicContact CD2-CD2 3.79Å; L1198-L1208 HydrophobicContact CG-CD2 4.02Å; L1198-F1209 HydrophobicContact CD1-CD2 4.45Å; L1198-F1209 HydrophobicContact CD2-CB 4.17Å; L1198-F1209 HydrophobicContact CD2-CD2 4.39Å; L1198-M1212 HydrophobicContact CD1-CG 4.35Å; L1198-V1238 HydrophobicContact CB-CG1 3.81Å; L1198-V1238 HydrophobicContact CB-CG2 3.91Å; L1198-V1238 HydrophobicContact CD1-CG2 4.42Å; L1198-V1238 WeakPolarHBondContact O-CG2 3.35Å |
| 1199 | P | 70.4 | Confident | 77.1 | Confident | 79.4 Ų | 79.4 | 58.4 Ų | 58.4 | 52% | 0.516 | 32% | 0.315 | S | S | . | . | trans | -59.4 | 148.1 | 176.1 | -7.5 | 9.8 | 0 | 0 | 0 | 112.1 | E1201 T1202 | P1199-E1201 VanDerWaalsContact C-N 3.25Å; P1199-E1201 PolarHBondContact O-N 3.07Å; P1199-T1202 HydrophobicContact CB-CG2 4.27Å; P1199-T1202 HydrophobicContact CG-CG2 4.11Å; P1199-T1202 WeakPolarHBondContact O-CB 3.42Å; P1199-T1202 VanDerWaalsContact O-CG2 3.3Å; P1199-T1202 WeakPolarHBondContact O-CG2 3.27Å; P1199-T1202 PolarHBondContact O-N 3.05Å; P1199-T1202 VanDerWaalsContact O-N 3.12Å; P1199-T1202 PolarHBondContact O-OG1 3.29Å | ||
| 1200 | P | 61.9 | Low | 77.1 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.7 | -179.5 | 26.4 | -34.2 | 0 | 0 | 0 | 113.4 | T1202 | P1200-T1202 VanDerWaalsContact C-N 3.3Å; P1200-T1202 PolarHBondContact O-N 3.22Å |
| 1201 | E | 59.2 | Low | 77.1 | Confident | 175 Ų | 175 | 64.1 Ų | 64.1 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 30.4 | 175.9 | -58.9 | -167.9 | 172.1 | 0 | 0 | 112.7 | P1199 H1203 | P1199-E1201 VanDerWaalsContact C-N 3.25Å; P1199-E1201 PolarHBondContact O-N 3.07Å; E1201-H1203 PolarHBondContact O-CD2 3.21Å; E1201-H1203 PolarHBondContact O-N 3.16Å; E1201-H1203 VanDerWaalsContact O-N 3.11Å |
| 1202 | T | 64.7 | Low | 77.1 | Confident | 21.6 Ų | 21.6 | 64.1 Ų | 64.1 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | trans | -67.7 | 115 | 177.6 | 31.5 | 0 | 0 | 0 | 0 | 111.2 | L1198 P1199 P1200 V1238 | L1198-T1202 HydrophobicContact CB-CG2 4.26Å; L1198-T1202 HydrophobicContact CD2-CG2 3.73Å; L1198-T1202 HydrophobicContact CG-CG2 4.45Å; P1199-T1202 HydrophobicContact CB-CG2 4.27Å; P1199-T1202 HydrophobicContact CG-CG2 4.11Å; P1199-T1202 WeakPolarHBondContact O-CB 3.42Å; P1199-T1202 VanDerWaalsContact O-CG2 3.3Å; P1199-T1202 WeakPolarHBondContact O-CG2 3.27Å; P1199-T1202 PolarHBondContact O-N 3.05Å; P1199-T1202 VanDerWaalsContact O-N 3.12Å; P1199-T1202 PolarHBondContact O-OG1 3.29Å; P1200-T1202 VanDerWaalsContact C-N 3.3Å; P1200-T1202 PolarHBondContact O-N 3.22Å; T1202-V1238 VanDerWaalsContact OG1-CG1 3.28Å; T1202-V1238 WeakPolarHBondContact OG1-CG1 3.26Å | ||
| 1203 | H | 62.9 | Low | 77.2 | Confident | 144.2 Ų | 144.2 | 64.4 Ų | 64.4 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | trans | -61.6 | 143.4 | 171.6 | -79.7 | -101.1 | 0 | 0 | 0 | 111.1 | E1201 D1205 S1206 | E1201-H1203 PolarHBondContact O-CD2 3.21Å; E1201-H1203 PolarHBondContact O-N 3.16Å; E1201-H1203 VanDerWaalsContact O-N 3.11Å; H1203-D1205 IonicContact ND1-OD2 3.48Å; H1203-D1205 PolarHBondContact O-N 3.16Å; H1203-D1205 VanDerWaalsContact O-N 3.12Å; H1203-S1206 VanDerWaalsContact O-CB 3.28Å; H1203-S1206 WeakPolarHBondContact O-CB 3.43Å; H1203-S1206 PolarHBondContact O-N 3.2Å | ||
| 1204 | M | 61.3 | Low | 77.5 | Confident | 105 Ų | 105 | 65.9 Ų | 65.9 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -27.4 | 176.2 | -64.7 | -74.8 | 91 | 0 | 0 | 113.2 | S1206 F1209 A1241 | M1204-S1206 VanDerWaalsContact C-N 3.31Å; M1204-S1206 PolarHBondContact O-N 2.88Å; M1204-F1209 HydrophobicContact CE-CD1 4.21Å; M1204-F1209 HydrophobicContact CE-CE1 3.43Å; M1204-F1209 VanDerWaalsContact CE-CE1 3.49Å; M1204-F1209 HydrophobicContact CE-CE2 4.39Å; M1204-F1209 HydrophobicContact CE-CZ 3.81Å; M1204-F1209 HydrophobicContact SD-CE1 3.98Å; M1204-F1209 HydrophobicContact SD-CZ 4.36Å; M1204-A1241 HydrophobicContact CE-CB 3.66Å; M1204-A1241 VanDerWaalsContact CE-O 3.32Å; M1204-A1241 WeakPolarHBondContact CE-O 3.27Å; M1204-A1241 HydrophobicContact SD-CB 4.03Å |
| 1205 | D | 64.3 | Low | 77.8 | Confident | 136.4 Ų | 136.4 | 64.4 Ų | 64.4 | 73% | 0.729 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -5.3 | -178.3 | -52.8 | -50.9 | 0 | 0 | 0 | 113.6 | H1203 T1207 | H1203-D1205 IonicContact ND1-OD2 3.48Å; H1203-D1205 PolarHBondContact O-N 3.16Å; H1203-D1205 VanDerWaalsContact O-N 3.12Å; D1205-T1207 PolarHBondContact O-N 2.98Å; D1205-T1207 VanDerWaalsContact O-N 3.14Å |
| 1206 | S | 79.4 | Confident | 78.1 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 33% | 0.331 | S | S | . | . | trans | -61.7 | 118.7 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | H1203 M1204 L1208 F1209 R1210 | H1203-S1206 VanDerWaalsContact O-CB 3.28Å; H1203-S1206 WeakPolarHBondContact O-CB 3.43Å; H1203-S1206 PolarHBondContact O-N 3.2Å; M1204-S1206 VanDerWaalsContact C-N 3.31Å; M1204-S1206 PolarHBondContact O-N 2.88Å; S1206-L1208 VanDerWaalsContact C-N 3.27Å; S1206-L1208 PolarHBondContact O-N 3.12Å; S1206-F1209 WeakPolarHBondContact O-CA 3.33Å; S1206-F1209 WeakPolarHBondContact O-CB 3.29Å; S1206-F1209 PolarHBondContact O-N 3.05Å; S1206-F1209 PolarHBondContact OG-N 3.32Å; S1206-R1210 PolarHBondContact O-N 3.14Å | ||
| 1207 | T | 80.4 | Confident | 78.5 | Confident | 52.2 Ų | 52.2 | 62.7 Ų | 62.7 | 32% | 0.32 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -38.1 | -177.2 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | E1158 D1205 R1210 A1211 | E1158-T1207 HydrophobicContact CB-CG2 4.33Å; E1158-T1207 VanDerWaalsContact CD-CG2 3.45Å; E1158-T1207 HydrophobicContact CG-CG2 3.7Å; E1158-T1207 WeakPolarHBondContact OE1-CG2 3.29Å; D1205-T1207 PolarHBondContact O-N 2.98Å; D1205-T1207 VanDerWaalsContact O-N 3.14Å; T1207-R1210 PolarHBondContact O-N 3.02Å; T1207-A1211 WeakPolarHBondContact O-CB 3.26Å; T1207-A1211 PolarHBondContact O-N 3.01Å |
| 1208 | L | 82.2 | Confident | 78.9 | Confident | 11.4 Ų | 11.4 | 61.3 Ų | 61.3 | 6% | 0.06 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.3 | -155.3 | 153.5 | 0 | 0 | 0 | 112.1 | L1153 Q1154 L1161 R1194 L1198 S1206 R1210 A1211 M1212 | L1153-L1208 HydrophobicContact CB-CD2 4.26Å; L1153-L1208 HydrophobicContact CD2-CD2 4Å; L1153-L1208 HydrophobicContact CG-CD2 3.99Å; Q1154-L1208 HydrophobicContact CB-CD1 3.71Å; Q1154-L1208 HydrophobicContact CB-CD2 4.42Å; Q1154-L1208 HydrophobicContact CB-CG 4.44Å; Q1154-L1208 HydrophobicContact CG-CD1 4.25Å; L1161-L1208 HydrophobicContact CD2-CD2 4.04Å; L1161-L1208 HydrophobicContact CD2-CG 4.47Å; R1194-L1208 HydrophobicContact CG-CD2 4.05Å; R1194-L1208 VanDerWaalsContact NH2-CD1 3.27Å; L1198-L1208 HydrophobicContact CD1-CD2 3.92Å; L1198-L1208 HydrophobicContact CD2-CD2 3.79Å; L1198-L1208 HydrophobicContact CG-CD2 4.02Å; S1206-L1208 VanDerWaalsContact C-N 3.27Å; S1206-L1208 PolarHBondContact O-N 3.12Å; L1208-R1210 VanDerWaalsContact C-N 3.33Å; L1208-R1210 PolarHBondContact O-N 3.15Å; L1208-A1211 WeakPolarHBondContact O-CB 3.4Å; L1208-A1211 PolarHBondContact O-N 3.02Å; L1208-M1212 HydrophobicContact CD2-CG 4.02Å; L1208-M1212 WeakPolarHBondContact O-CG 3.32Å; L1208-M1212 PolarHBondContact O-N 3.02Å |
| 1209 | F | 86.1 | Confident | 79.4 | Confident | 6.6 Ų | 6.6 | 60.7 Ų | 60.7 | 3% | 0.029 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.3 | 179.2 | -102.8 | 0 | 0 | 0 | 110.4 | L1198 M1204 S1206 A1211 M1212 I1213 V1238 A1241 F1242 | L1198-F1209 HydrophobicContact CD1-CD2 4.45Å; L1198-F1209 HydrophobicContact CD2-CB 4.17Å; L1198-F1209 HydrophobicContact CD2-CD2 4.39Å; M1204-F1209 HydrophobicContact CE-CD1 4.21Å; M1204-F1209 HydrophobicContact CE-CE1 3.43Å; M1204-F1209 VanDerWaalsContact CE-CE1 3.49Å; M1204-F1209 HydrophobicContact CE-CE2 4.39Å; M1204-F1209 HydrophobicContact CE-CZ 3.81Å; M1204-F1209 HydrophobicContact SD-CE1 3.98Å; M1204-F1209 HydrophobicContact SD-CZ 4.36Å; S1206-F1209 WeakPolarHBondContact O-CA 3.33Å; S1206-F1209 WeakPolarHBondContact O-CB 3.29Å; S1206-F1209 PolarHBondContact O-N 3.05Å; S1206-F1209 PolarHBondContact OG-N 3.32Å; F1209-A1211 VanDerWaalsContact C-N 3.3Å; F1209-A1211 PolarHBondContact O-N 3.25Å; F1209-M1212 WeakPolarHBondContact O-CB 3.39Å; F1209-M1212 PolarHBondContact O-N 3.18Å; F1209-M1212 VanDerWaalsContact O-N 3.14Å; F1209-I1213 HydrophobicContact CD1-CG1 4.12Å; F1209-I1213 HydrophobicContact CD2-CG1 4.39Å; F1209-I1213 HydrophobicContact CE1-CD1 4.25Å; F1209-I1213 HydrophobicContact CE1-CG1 3.68Å; F1209-I1213 HydrophobicContact CE2-CD1 3.94Å; F1209-I1213 HydrophobicContact CE2-CG1 4.03Å; F1209-I1213 HydrophobicContact CG-CG1 4.46Å; F1209-I1213 HydrophobicContact CZ-CD1 3.68Å; F1209-I1213 HydrophobicContact CZ-CG1 3.63Å; F1209-I1213 WeakPolarHBondContact O-CG1 3.39Å; F1209-I1213 PolarHBondContact O-N 3.24Å; F1209-V1238 HydrophobicContact CD2-CG1 3.95Å; F1209-V1238 HydrophobicContact CE2-CB 4.42Å; F1209-V1238 HydrophobicContact CE2-CG1 3.54Å; F1209-V1238 VanDerWaalsContact CE2-CG1 3.48Å; F1209-V1238 HydrophobicContact CZ-CG1 4.44Å; F1209-A1241 HydrophobicContact CE2-CB 4.22Å; F1209-A1241 HydrophobicContact CZ-CB 3.97Å; F1209-A1241 WeakPolarHBondContact CZ-O 3.4Å; F1209-F1242 AromaticContact CE2-CD1 3.9Å; F1209-F1242 HydrophobicContact CE2-CD1 3.93Å; F1209-F1242 AromaticContact CE2-CE1 3.89Å; F1209-F1242 HydrophobicContact CE2-CE1 4.03Å; F1209-F1242 AromaticContact CZ-CD1 3.98Å; F1209-F1242 HydrophobicContact CZ-CD1 4.04Å; F1209-F1242 HydrophobicContact CZ-CE1 4.48Å |
| 1210 | R | 85.8 | Confident | 80.3 | Confident | 168.6 Ų | 168.6 | 59.4 Ų | 59.4 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.3 | -41.1 | 175.2 | -173 | 176.3 | -168.6 | -114.9 | -1.6 | 112.4 | S1206 T1207 L1208 I1213 H1214 | S1206-R1210 PolarHBondContact O-N 3.14Å; T1207-R1210 PolarHBondContact O-N 3.02Å; L1208-R1210 VanDerWaalsContact C-N 3.33Å; L1208-R1210 PolarHBondContact O-N 3.15Å; R1210-I1213 PolarHBondContact O-N 2.59Å; R1210-H1214 WeakPolarHBondContact O-CB 3.28Å; R1210-H1214 PolarHBondContact O-N 3.12Å |
| 1211 | A | 87.3 | Confident | 81.5 | Confident | 5.8 Ų | 5.8 | 59.3 Ų | 59.3 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1161 A1165 T1207 L1208 F1209 H1214 I1215 | L1161-A1211 HydrophobicContact CB-CB 4.35Å; L1161-A1211 HydrophobicContact CD2-CB 4.03Å; A1165-A1211 HydrophobicContact CB-CB 4.24Å; T1207-A1211 WeakPolarHBondContact O-CB 3.26Å; T1207-A1211 PolarHBondContact O-N 3.01Å; L1208-A1211 WeakPolarHBondContact O-CB 3.4Å; L1208-A1211 PolarHBondContact O-N 3.02Å; F1209-A1211 VanDerWaalsContact C-N 3.3Å; F1209-A1211 PolarHBondContact O-N 3.25Å; A1211-H1214 WeakPolarHBondContact O-CB 3.38Å; A1211-H1214 PolarHBondContact O-N 3.15Å; A1211-I1215 WeakPolarHBondContact O-CG1 3.32Å; A1211-I1215 PolarHBondContact O-N 3.19Å; A1211-I1215 VanDerWaalsContact O-N 3.08Å |
| 1212 | M | 89.1 | Confident | 82.7 | Confident | 0.2 Ų | 0.2 | 51.2 Ų | 51.2 | 0% | 0.001 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 175 | -71.6 | -60.4 | 96.8 | 0 | 0 | 112.3 | V1149 L1153 V1191 R1194 L1195 L1198 L1208 F1209 H1214 I1215 L1216 | V1149-M1212 HydrophobicContact CG1-CE 4.23Å; L1153-M1212 HydrophobicContact CD2-CE 3.14Å; L1153-M1212 HydrophobicContact CD2-SD 4.44Å; V1191-M1212 HydrophobicContact CG1-SD 4.29Å; R1194-M1212 HydrophobicContact CB-CE 4.42Å; R1194-M1212 HydrophobicContact CB-SD 4.25Å; R1194-M1212 HydrophobicContact CG-CE 4.38Å; R1194-M1212 HydrophobicContact CG-SD 4.25Å; L1195-M1212 HydrophobicContact CD2-CB 3.94Å; L1195-M1212 HydrophobicContact CD2-CG 4.15Å; L1195-M1212 HydrophobicContact CD2-SD 4.35Å; L1195-M1212 HydrophobicContact CG-SD 4.25Å; L1198-M1212 HydrophobicContact CD1-CG 4.35Å; L1208-M1212 HydrophobicContact CD2-CG 4.02Å; L1208-M1212 WeakPolarHBondContact O-CG 3.32Å; L1208-M1212 PolarHBondContact O-N 3.02Å; F1209-M1212 WeakPolarHBondContact O-CB 3.39Å; F1209-M1212 PolarHBondContact O-N 3.18Å; F1209-M1212 VanDerWaalsContact O-N 3.14Å; M1212-H1214 VanDerWaalsContact C-N 3.27Å; M1212-H1214 PolarHBondContact O-N 3.27Å; M1212-I1215 HydrophobicContact CE-CD1 3.6Å; M1212-I1215 VanDerWaalsContact CE-CD1 3.49Å; M1212-I1215 PolarHBondContact O-N 3Å; M1212-I1215 HydrophobicContact SD-CD1 4.44Å; M1212-L1216 WeakPolarHBondContact O-CG 3.4Å; M1212-L1216 PolarHBondContact O-N 3.27Å |
| 1213 | I | 90.1 | Very high | 83.9 | Confident | 18.6 Ų | 18.6 | 50.1 Ų | 50.1 | 10% | 0.095 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -38.7 | 175.4 | -64.3 | -56 | 0 | 0 | 0 | 110.9 | F1209 R1210 I1215 L1216 M1217 F1242 P1243 L1246 | F1209-I1213 HydrophobicContact CD1-CG1 4.12Å; F1209-I1213 HydrophobicContact CD2-CG1 4.39Å; F1209-I1213 HydrophobicContact CE1-CD1 4.25Å; F1209-I1213 HydrophobicContact CE1-CG1 3.68Å; F1209-I1213 HydrophobicContact CE2-CD1 3.94Å; F1209-I1213 HydrophobicContact CE2-CG1 4.03Å; F1209-I1213 HydrophobicContact CG-CG1 4.46Å; F1209-I1213 HydrophobicContact CZ-CD1 3.68Å; F1209-I1213 HydrophobicContact CZ-CG1 3.63Å; F1209-I1213 WeakPolarHBondContact O-CG1 3.39Å; F1209-I1213 PolarHBondContact O-N 3.24Å; R1210-I1213 PolarHBondContact O-N 2.59Å; I1213-I1215 PolarHBondContact O-N 2.71Å; I1213-L1216 PolarHBondContact O-N 3.26Å; I1213-M1217 HydrophobicContact CG2-CG 4.13Å; I1213-M1217 VanDerWaalsContact O-CB 3.31Å; I1213-M1217 WeakPolarHBondContact O-CB 3.43Å; I1213-M1217 VanDerWaalsContact O-CG 3.27Å; I1213-M1217 WeakPolarHBondContact O-CG 3.34Å; I1213-M1217 PolarHBondContact O-N 3.12Å; I1213-F1242 HydrophobicContact CD1-CB 4.32Å; I1213-F1242 HydrophobicContact CD1-CD1 3.47Å; I1213-F1242 VanDerWaalsContact CD1-CD1 3.45Å; I1213-F1242 HydrophobicContact CD1-CD2 4.47Å; I1213-F1242 HydrophobicContact CD1-CE1 3.82Å; I1213-F1242 HydrophobicContact CD1-CG 3.87Å; I1213-F1242 HydrophobicContact CD1-CZ 4.38Å; I1213-P1243 HydrophobicContact CG2-CG 3.83Å; I1213-L1246 HydrophobicContact CD1-CD2 3.93Å; I1213-L1246 HydrophobicContact CG2-CD2 4.47Å |
| 1214 | H | 89.3 | Confident | 84.9 | Confident | 78 Ų | 78 | 44 Ų | 44 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.3 | -165.5 | -113.7 | 0 | 0 | 0 | 112.4 | A1165 D1166 R1210 A1211 M1212 L1216 M1217 K1218 | A1165-H1214 HydrophobicContact CB-CB 4.29Å; D1166-H1214 IonicContact OD1-CE1 3.18Å; D1166-H1214 PolarHBondContact OD1-CE1 3.27Å; D1166-H1214 VanDerWaalsContact OD1-CE1 3.25Å; R1210-H1214 WeakPolarHBondContact O-CB 3.28Å; R1210-H1214 PolarHBondContact O-N 3.12Å; A1211-H1214 WeakPolarHBondContact O-CB 3.38Å; A1211-H1214 PolarHBondContact O-N 3.15Å; M1212-H1214 VanDerWaalsContact C-N 3.27Å; M1212-H1214 PolarHBondContact O-N 3.27Å; H1214-L1216 PolarHBondContact O-N 3.24Å; H1214-M1217 PolarHBondContact O-N 3.08Å; H1214-K1218 PolarHBondContact O-N 3.21Å; H1214-K1218 VanDerWaalsContact O-N 3.1Å |
| 1215 | I | 91.8 | Very high | 85.9 | Confident | 0.2 Ų | 0.2 | 42 Ų | 42 | 0% | 0.001 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 174.9 | -66.4 | 173.2 | 0 | 0 | 0 | 110.7 | A1165 Y1168 L1172 V1191 A1211 M1212 I1213 M1217 K1218 A1219 | A1165-I1215 HydrophobicContact CB-CD1 4.35Å; A1165-I1215 HydrophobicContact CB-CG1 3.83Å; A1165-I1215 WeakPolarHBondContact O-CG1 3.22Å; Y1168-I1215 HydrophobicContact CD1-CD1 4.07Å; Y1168-I1215 HydrophobicContact CD1-CG1 4.44Å; Y1168-I1215 HydrophobicContact CD1-CG2 3.88Å; Y1168-I1215 HydrophobicContact CE1-CG2 4.48Å; Y1168-I1215 HydrophobicContact CG-CD1 4.34Å; L1172-I1215 HydrophobicContact CD1-CG2 3.77Å; V1191-I1215 HydrophobicContact CG2-CG2 4.22Å; A1211-I1215 WeakPolarHBondContact O-CG1 3.32Å; A1211-I1215 PolarHBondContact O-N 3.19Å; A1211-I1215 VanDerWaalsContact O-N 3.08Å; M1212-I1215 HydrophobicContact CE-CD1 3.6Å; M1212-I1215 VanDerWaalsContact CE-CD1 3.49Å; M1212-I1215 PolarHBondContact O-N 3Å; M1212-I1215 HydrophobicContact SD-CD1 4.44Å; I1213-I1215 PolarHBondContact O-N 2.71Å; I1215-M1217 VanDerWaalsContact C-N 3.34Å; I1215-M1217 PolarHBondContact O-N 3.11Å; I1215-K1218 PolarHBondContact O-N 3.14Å; I1215-A1219 WeakPolarHBondContact O-CB 3.4Å; I1215-A1219 PolarHBondContact O-N 3.17Å |
| 1216 | L | 92 | Very high | 87 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | -178.7 | -68.6 | 178.7 | 0 | 0 | 0 | 112.3 | W1188 V1191 L1195 M1212 I1213 H1214 K1218 A1219 K1220 F1223 L1233 F1242 L1246 | W1188-L1216 HydrophobicContact CH2-CD2 4.4Å; W1188-L1216 HydrophobicContact CZ3-CD2 3.95Å; V1191-L1216 HydrophobicContact CG1-CD2 4.18Å; L1195-L1216 HydrophobicContact CD1-CD1 4.04Å; L1195-L1216 HydrophobicContact CD1-CD2 4.43Å; L1195-L1216 HydrophobicContact CD2-CD1 4.43Å; M1212-L1216 WeakPolarHBondContact O-CG 3.4Å; M1212-L1216 PolarHBondContact O-N 3.27Å; I1213-L1216 PolarHBondContact O-N 3.26Å; H1214-L1216 PolarHBondContact O-N 3.24Å; L1216-K1218 VanDerWaalsContact C-N 3.33Å; L1216-K1218 PolarHBondContact O-N 2.94Å; L1216-A1219 CarbonylContact O-C 3.42Å; L1216-A1219 PolarHBondContact O-N 3.14Å; L1216-K1220 WeakPolarHBondContact O-CA 3.37Å; L1216-K1220 PolarHBondContact O-N 2.98Å; L1216-F1223 HydrophobicContact CB-CZ 4.39Å; L1216-F1223 HydrophobicContact CD2-CE1 4.33Å; L1216-F1223 HydrophobicContact CD2-CZ 4.3Å; L1216-F1223 WeakPolarHBondContact O-CZ 2.98Å; L1216-L1233 HydrophobicContact CD1-CD2 4.47Å; L1216-L1233 HydrophobicContact CD2-CD1 4.38Å; L1216-L1233 HydrophobicContact CD2-CD2 3.81Å; L1216-F1242 HydrophobicContact CD1-CD2 4.44Å; L1216-F1242 HydrophobicContact CD1-CE1 4.47Å; L1216-F1242 HydrophobicContact CD1-CE2 3.72Å; L1216-F1242 HydrophobicContact CD1-CZ 3.77Å; L1216-L1246 HydrophobicContact CB-CD1 4.1Å; L1216-L1246 HydrophobicContact CB-CD2 3.83Å; L1216-L1246 HydrophobicContact CD1-CD2 3.98Å |
| 1217 | M | 89.7 | Confident | 87.1 | Confident | 59.8 Ų | 59.8 | 35.7 Ų | 35.7 | 30% | 0.295 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.4 | -36.7 | 178 | -78.3 | -65.8 | -72.5 | 0 | 0 | 112.6 | I1213 H1214 I1215 K1220 L1246 | I1213-M1217 HydrophobicContact CG2-CG 4.13Å; I1213-M1217 VanDerWaalsContact O-CB 3.31Å; I1213-M1217 WeakPolarHBondContact O-CB 3.43Å; I1213-M1217 VanDerWaalsContact O-CG 3.27Å; I1213-M1217 WeakPolarHBondContact O-CG 3.34Å; I1213-M1217 PolarHBondContact O-N 3.12Å; H1214-M1217 PolarHBondContact O-N 3.08Å; I1215-M1217 VanDerWaalsContact C-N 3.34Å; I1215-M1217 PolarHBondContact O-N 3.11Å; M1217-K1220 WeakPolarHBondContact O-CD 3.33Å; M1217-K1220 VanDerWaalsContact O-CG 3.28Å; M1217-K1220 WeakPolarHBondContact O-CG 3.35Å; M1217-L1246 HydrophobicContact CG-CD1 4.47Å; M1217-L1246 HydrophobicContact SD-CB 3.87Å; M1217-L1246 HydrophobicContact SD-CD1 3.93Å; M1217-L1246 HydrophobicContact SD-CG 4.35Å |
| 1218 | K | 89.5 | Confident | 87.3 | Confident | 65.8 Ų | 65.8 | 34.7 Ų | 34.7 | 29% | 0.286 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.6 | -38.9 | 175 | -158.8 | 128 | -176.7 | -137.3 | 0 | 111.2 | D1166 G1169 S1170 A1173 H1214 I1215 L1216 K1220 | D1166-K1218 PolarHBondContact O-NZ 2.91Å; D1166-K1218 VanDerWaalsContact OD1-CD 3.27Å; D1166-K1218 WeakPolarHBondContact OD1-CD 3.3Å; D1166-K1218 WeakPolarHBondContact OD1-CE 3.34Å; D1166-K1218 IonicContact OD1-NZ 2.85Å; D1166-K1218 PolarHBondContact OD1-NZ 3.38Å; D1166-K1218 IonicContact OD2-NZ 3.09Å; D1166-K1218 PolarHBondContact OD2-NZ 3.2Å; D1166-K1218 VanDerWaalsContact OD2-NZ 3.1Å; G1169-K1218 VanDerWaalsContact C-CG 3.49Å; S1170-K1218 VanDerWaalsContact OG-CE 3.26Å; S1170-K1218 WeakPolarHBondContact OG-CE 3.32Å; S1170-K1218 PolarHBondContact OG-NZ 3.19Å; A1173-K1218 VanDerWaalsContact CB-O 3.31Å; A1173-K1218 WeakPolarHBondContact CB-O 3.36Å; H1214-K1218 PolarHBondContact O-N 3.21Å; H1214-K1218 VanDerWaalsContact O-N 3.1Å; I1215-K1218 PolarHBondContact O-N 3.14Å; L1216-K1218 VanDerWaalsContact C-N 3.33Å; L1216-K1218 PolarHBondContact O-N 2.94Å; K1218-K1220 PolarHBondContact O-N 3.1Å |
| 1219 | A | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -85.9 | 0.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1172 W1188 I1215 L1216 N1221 T1222 | L1172-A1219 HydrophobicContact CB-CB 3.73Å; L1172-A1219 HydrophobicContact CD1-CB 4.4Å; W1188-A1219 HydrophobicContact CH2-CB 3.72Å; W1188-A1219 HydrophobicContact CZ2-CB 3.99Å; I1215-A1219 WeakPolarHBondContact O-CB 3.4Å; I1215-A1219 PolarHBondContact O-N 3.17Å; L1216-A1219 CarbonylContact O-C 3.42Å; L1216-A1219 PolarHBondContact O-N 3.14Å; A1219-N1221 VanDerWaalsContact C-N 3.26Å; A1219-N1221 PolarHBondContact O-N 2.98Å; A1219-N1221 VanDerWaalsContact O-N 3.08Å; A1219-T1222 WeakPolarHBondContact O-CB 3.29Å; A1219-T1222 PolarHBondContact O-N 3.06Å; A1219-T1222 PolarHBondContact O-OG1 3.08Å |
| 1220 | K | 88.9 | Confident | 87.7 | Confident | 53.6 Ų | 53.6 | 33.9 Ų | 33.9 | 23% | 0.233 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -53.3 | -32.4 | -168.8 | 68.2 | -176.1 | 177.2 | 172.3 | 0 | 116.2 | L1216 M1217 K1218 T1222 F1223 Y1249 | L1216-K1220 WeakPolarHBondContact O-CA 3.37Å; L1216-K1220 PolarHBondContact O-N 2.98Å; M1217-K1220 WeakPolarHBondContact O-CD 3.33Å; M1217-K1220 VanDerWaalsContact O-CG 3.28Å; M1217-K1220 WeakPolarHBondContact O-CG 3.35Å; K1218-K1220 PolarHBondContact O-N 3.1Å; K1220-T1222 PolarHBondContact O-N 3.29Å; K1220-F1223 HydrophobicContact CB-CD2 4.44Å; K1220-F1223 HydrophobicContact CB-CE2 3.92Å; K1220-F1223 HydrophobicContact CB-CZ 4.33Å; K1220-F1223 VanDerWaalsContact O-CD2 3.24Å; K1220-F1223 WeakPolarHBondContact O-CD2 3.22Å; K1220-F1223 WeakPolarHBondContact O-CG 3.35Å; K1220-F1223 PolarHBondContact O-N 3.12Å; K1220-Y1249 HydrophobicContact CB-CG 4.45Å; K1220-Y1249 HydrophobicContact CD-CD1 4.45Å; K1220-Y1249 HydrophobicContact CD-CD2 3.93Å; K1220-Y1249 HydrophobicContact CD-CE1 4.31Å; K1220-Y1249 HydrophobicContact CD-CE2 3.8Å; K1220-Y1249 HydrophobicContact CD-CG 4.3Å; K1220-Y1249 PolarHBondContact NZ-OH 3.02Å; K1220-Y1249 VanDerWaalsContact NZ-OH 3.11Å |
| 1221 | N | 85.7 | Confident | 87.7 | Confident | 101.6 Ų | 101.6 | 29.8 Ų | 29.8 | 54% | 0.543 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -70.8 | -18.5 | -179.8 | -65.4 | -24.9 | 0 | 0 | 0 | 112.5 | I1074 A1219 V1224 H1225 | I1074-N1221 HydrophobicContact CD1-CB 4.4Å; A1219-N1221 VanDerWaalsContact C-N 3.26Å; A1219-N1221 PolarHBondContact O-N 2.98Å; A1219-N1221 VanDerWaalsContact O-N 3.08Å; N1221-V1224 WeakPolarHBondContact O-CG2 3.42Å; N1221-H1225 PolarHBondContact O-CD2 2.8Å |
| 1222 | T | 85.5 | Confident | 87.7 | Confident | 4.8 Ų | 4.8 | 31.1 Ų | 31.1 | 3% | 0.029 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -86.3 | -12.1 | -177.6 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | L1172 A1173 T1176 W1188 A1219 K1220 V1224 H1225 F1226 | L1172-T1222 WeakPolarHBondContact O-CG2 3.27Å; A1173-T1222 WeakPolarHBondContact O-CG2 3Å; T1176-T1222 HydrophobicContact CG2-CG2 4.16Å; W1188-T1222 WeakPolarHBondContact CZ2-OG1 3.39Å; A1219-T1222 WeakPolarHBondContact O-CB 3.29Å; A1219-T1222 PolarHBondContact O-N 3.06Å; A1219-T1222 PolarHBondContact O-OG1 3.08Å; K1220-T1222 PolarHBondContact O-N 3.29Å; T1222-V1224 VanDerWaalsContact C-N 3.29Å; T1222-V1224 PolarHBondContact O-N 3.17Å; T1222-H1225 WeakPolarHBondContact O-CB 3.4Å; T1222-H1225 PolarHBondContact O-N 3.26Å; T1222-F1226 VanDerWaalsContact O-CD2 3.26Å; T1222-F1226 WeakPolarHBondContact O-CD2 3.36Å; T1222-F1226 WeakPolarHBondContact O-CE2 3.48Å |
| 1223 | F | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -57.6 | -38.2 | -178.4 | -58.8 | -26.9 | 0 | 0 | 0 | 112.6 | W1188 L1216 K1220 H1225 F1226 L1229 P1230 L1233 L1246 I1250 S1253 | W1188-F1223 HydrophobicContact CH2-CD1 4.13Å; W1188-F1223 AromaticContact CH2-CE1 3.68Å; W1188-F1223 HydrophobicContact CH2-CE1 3.68Å; W1188-F1223 HydrophobicContact CZ2-CE1 4.39Å; W1188-F1223 HydrophobicContact CZ3-CE1 4.23Å; L1216-F1223 HydrophobicContact CB-CZ 4.39Å; L1216-F1223 HydrophobicContact CD2-CE1 4.33Å; L1216-F1223 HydrophobicContact CD2-CZ 4.3Å; L1216-F1223 WeakPolarHBondContact O-CZ 2.98Å; K1220-F1223 HydrophobicContact CB-CD2 4.44Å; K1220-F1223 HydrophobicContact CB-CE2 3.92Å; K1220-F1223 HydrophobicContact CB-CZ 4.33Å; K1220-F1223 VanDerWaalsContact O-CD2 3.24Å; K1220-F1223 WeakPolarHBondContact O-CD2 3.22Å; K1220-F1223 WeakPolarHBondContact O-CG 3.35Å; K1220-F1223 PolarHBondContact O-N 3.12Å; F1223-H1225 VanDerWaalsContact C-N 3.26Å; F1223-H1225 PolarHBondContact O-N 3.32Å; F1223-F1226 PolarHBondContact O-N 3.3Å; F1223-L1229 HydrophobicContact CD1-CD2 4.01Å; F1223-P1230 HydrophobicContact CB-CG 4.45Å; F1223-P1230 VanDerWaalsContact O-CG 3.27Å; F1223-P1230 WeakPolarHBondContact O-CG 3.33Å; F1223-L1233 HydrophobicContact CD1-CD1 3.79Å; F1223-L1233 HydrophobicContact CE1-CD1 3.53Å; F1223-L1233 VanDerWaalsContact CE1-CD1 3.49Å; F1223-L1233 HydrophobicContact CE2-CD1 4.47Å; F1223-L1233 HydrophobicContact CG-CD1 4.38Å; F1223-L1233 HydrophobicContact CZ-CD1 3.94Å; F1223-L1246 HydrophobicContact CE2-CD1 3.87Å; F1223-L1246 HydrophobicContact CZ-CD1 4.08Å; F1223-I1250 HydrophobicContact CD2-CG1 3.88Å; F1223-I1250 HydrophobicContact CE2-CD1 4.38Å; F1223-I1250 HydrophobicContact CE2-CG1 3.58Å; F1223-I1250 HydrophobicContact CZ-CG1 4.28Å; F1223-S1253 VanDerWaalsContact CB-OG 3.31Å; F1223-S1253 WeakPolarHBondContact CB-OG 3.4Å |
| 1224 | V | 84.8 | Confident | 87.4 | Confident | 16.4 Ų | 16.4 | 31.4 Ų | 31.4 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -67.9 | -21.6 | 179.2 | -117.7 | 0 | 0 | 0 | 0 | 113.1 | I1074 M1076 N1221 T1222 F1226 A1256 V1257 | I1074-V1224 HydrophobicContact CD1-CG2 4.24Å; M1076-V1224 HydrophobicContact CE-CB 3.87Å; M1076-V1224 HydrophobicContact CE-CG1 3.9Å; M1076-V1224 HydrophobicContact CE-CG2 3.83Å; M1076-V1224 VanDerWaalsContact CE-O 3.26Å; M1076-V1224 WeakPolarHBondContact CE-O 3.32Å; M1076-V1224 HydrophobicContact CG-CG1 3.95Å; M1076-V1224 HydrophobicContact CG-CG2 3.99Å; M1076-V1224 HydrophobicContact SD-CB 4.21Å; M1076-V1224 HydrophobicContact SD-CG1 3.75Å; M1076-V1224 VanDerWaalsContact SD-CG1 3.54Å; M1076-V1224 HydrophobicContact SD-CG2 4.06Å; M1076-V1224 VanDerWaalsContact SD-O 3.41Å; N1221-V1224 WeakPolarHBondContact O-CG2 3.42Å; T1222-V1224 VanDerWaalsContact C-N 3.29Å; T1222-V1224 PolarHBondContact O-N 3.17Å; V1224-F1226 VanDerWaalsContact C-N 3.28Å; V1224-F1226 PolarHBondContact O-N 3.23Å; V1224-A1256 HydrophobicContact CG1-CB 4.03Å; V1224-A1256 HydrophobicContact CG2-CB 3.81Å; V1224-V1257 HydrophobicContact CG1-CG2 4.49Å |
| 1225 | H | 83.1 | Confident | 87.1 | Confident | 62 Ų | 62 | 30.9 Ų | 30.9 | 29% | 0.287 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -78.7 | -10.8 | -179.4 | -61.7 | -52 | 0 | 0 | 0 | 113.6 | P1080 M1081 T1176 N1221 T1222 F1223 | P1080-H1225 CarbonylContact C-O 3.47Å; P1080-H1225 VanDerWaalsContact CA-O 3.28Å; P1080-H1225 WeakPolarHBondContact CA-O 3.39Å; M1081-H1225 PolarHBondContact N-O 3.08Å; T1176-H1225 HydrophobicContact CG2-CB 3.8Å; N1221-H1225 PolarHBondContact O-CD2 2.8Å; T1222-H1225 WeakPolarHBondContact O-CB 3.4Å; T1222-H1225 PolarHBondContact O-N 3.26Å; F1223-H1225 VanDerWaalsContact C-N 3.26Å; F1223-H1225 PolarHBondContact O-N 3.32Å |
| 1226 | F | 86.2 | Confident | 86.7 | Confident | 1.8 Ų | 1.8 | 31.1 Ų | 31.1 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -122.1 | 125.6 | -176.2 | -56.5 | -64.6 | 0 | 0 | 0 | 111 | M1081 L1083 T1176 M1181 L1184 W1188 T1222 F1223 V1224 N1228 L1229 P1230 | M1081-F1226 HydrophobicContact CB-CD1 4.47Å; M1081-F1226 CarbonylContact O-C 3.59Å; M1081-F1226 VanDerWaalsContact O-CA 3.27Å; M1081-F1226 WeakPolarHBondContact O-CA 3.4Å; L1083-F1226 HydrophobicContact CD1-CB 3.96Å; L1083-F1226 HydrophobicContact CD1-CD1 3.76Å; L1083-F1226 HydrophobicContact CD1-CD2 4.04Å; L1083-F1226 HydrophobicContact CD1-CE1 4.25Å; L1083-F1226 HydrophobicContact CD1-CE2 4.48Å; L1083-F1226 HydrophobicContact CD1-CG 3.63Å; L1083-F1226 HydrophobicContact CD2-CD1 3.73Å; L1083-F1226 HydrophobicContact CD2-CE1 3.71Å; L1083-F1226 HydrophobicContact CD2-CG 4.36Å; L1083-F1226 HydrophobicContact CD2-CZ 4.36Å; L1083-F1226 HydrophobicContact CG-CB 4.24Å; L1083-F1226 HydrophobicContact CG-CD1 3.56Å; L1083-F1226 HydrophobicContact CG-CE1 4.08Å; L1083-F1226 HydrophobicContact CG-CG 3.93Å; T1176-F1226 HydrophobicContact CG2-CE1 3.97Å; T1176-F1226 HydrophobicContact CG2-CE2 4.47Å; T1176-F1226 HydrophobicContact CG2-CZ 3.85Å; M1181-F1226 HydrophobicContact CE-CD1 4.18Å; M1181-F1226 HydrophobicContact CE-CE1 4.2Å; M1181-F1226 HydrophobicContact SD-CE1 4.26Å; L1184-F1226 HydrophobicContact CD1-CE1 4.47Å; L1184-F1226 HydrophobicContact CD1-CZ 4.29Å; L1184-F1226 HydrophobicContact CD2-CE1 4.11Å; L1184-F1226 HydrophobicContact CD2-CZ 3.94Å; W1188-F1226 AromaticContact NE1-CD2 3.93Å; W1188-F1226 AromaticContact NE1-CE2 3.46Å; W1188-F1226 VanDerWaalsContact NE1-CE2 3.34Å; W1188-F1226 AromaticContact NE1-CZ 3.95Å; T1222-F1226 VanDerWaalsContact O-CD2 3.26Å; T1222-F1226 WeakPolarHBondContact O-CD2 3.36Å; T1222-F1226 WeakPolarHBondContact O-CE2 3.48Å; F1223-F1226 PolarHBondContact O-N 3.3Å; V1224-F1226 VanDerWaalsContact C-N 3.28Å; V1224-F1226 PolarHBondContact O-N 3.23Å; F1226-N1228 VanDerWaalsContact C-N 3.32Å; F1226-N1228 PolarHBondContact O-N 3.09Å; F1226-L1229 HydrophobicContact CB-CB 3.66Å; F1226-L1229 HydrophobicContact CB-CD2 4.3Å; F1226-L1229 HydrophobicContact CD2-CB 4.46Å; F1226-L1229 HydrophobicContact CD2-CD2 3.68Å; F1226-L1229 HydrophobicContact CE2-CD2 4.43Å; F1226-L1229 HydrophobicContact CG-CB 4.45Å; F1226-L1229 HydrophobicContact CG-CD2 4.39Å; F1226-L1229 PolarHBondContact O-N 3.05Å; F1226-P1230 WeakPolarHBondContact O-CD 3.27Å |
| 1227 | S | 81.1 | Confident | 86 | Confident | 41.8 Ų | 41.8 | 34.3 Ų | 34.3 | 29% | 0.292 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -69.6 | -35.7 | -171.5 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | M1081 E1082 V1257 | M1081-S1227 PolarHBondContact O-N 3.13Å; M1081-S1227 VanDerWaalsContact O-N 3.1Å; E1082-S1227 WeakPolarHBondContact CA-OG 3.44Å; S1227-V1257 WeakPolarHBondContact O-CG1 3.31Å |
| 1228 | N | 85.8 | Confident | 85.7 | Confident | 31.2 Ų | 31.2 | 31.6 Ų | 31.6 | 17% | 0.167 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -100.1 | -18.6 | -174.3 | 56.1 | -12.6 | 0 | 0 | 0 | 114.2 | E1082 L1083 F1085 F1226 N1231 C1232 | E1082-N1228 WeakPolarHBondContact CA-OD1 3.42Å; E1082-N1228 VanDerWaalsContact CG-ND2 3.26Å; E1082-N1228 WeakPolarHBondContact CG-ND2 3.48Å; L1083-N1228 PolarHBondContact N-OD1 3.06Å; L1083-N1228 VanDerWaalsContact N-OD1 3.1Å; L1083-N1228 PolarHBondContact O-ND2 3.26Å; F1085-N1228 HydrophobicContact CE2-CB 4.47Å; F1085-N1228 WeakPolarHBondContact CE2-ND2 3.31Å; F1226-N1228 VanDerWaalsContact C-N 3.32Å; F1226-N1228 PolarHBondContact O-N 3.09Å; N1228-N1231 PolarHBondContact O-N 3.32Å; N1228-C1232 PolarHBondContact O-N 2.99Å; N1228-C1232 VanDerWaalsContact O-N 3.09Å; N1228-C1232 PolarHBondContact O-SG 3.19Å; N1228-C1232 VanDerWaalsContact O-SG 3.37Å |
| 1229 | L | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.7 | -46.9 | -176.8 | -179.6 | 66.4 | 0 | 0 | 0 | 114.1 | L1083 F1085 W1188 L1192 F1223 F1226 N1231 C1232 L1233 | L1083-L1229 HydrophobicContact CD1-CB 4.26Å; L1083-L1229 HydrophobicContact CD1-CD1 4.41Å; L1083-L1229 HydrophobicContact CD1-CD2 4.4Å; F1085-L1229 HydrophobicContact CZ-CD1 4.3Å; W1188-L1229 HydrophobicContact CB-CD1 4.38Å; W1188-L1229 HydrophobicContact CD2-CD1 3.81Å; W1188-L1229 HydrophobicContact CD2-CD2 3.62Å; W1188-L1229 HydrophobicContact CD2-CG 4.38Å; W1188-L1229 VanDerWaalsContact CE2-CD2 3.46Å; W1188-L1229 HydrophobicContact CE3-CD1 3.56Å; W1188-L1229 VanDerWaalsContact CE3-CD1 3.47Å; W1188-L1229 HydrophobicContact CE3-CD2 3.84Å; W1188-L1229 HydrophobicContact CE3-CG 4.33Å; W1188-L1229 HydrophobicContact CG-CD1 4.19Å; W1188-L1229 HydrophobicContact CG-CD2 4.27Å; W1188-L1229 HydrophobicContact CH2-CD2 3.91Å; W1188-L1229 HydrophobicContact CZ2-CD2 3.67Å; W1188-L1229 HydrophobicContact CZ3-CD1 4.15Å; W1188-L1229 HydrophobicContact CZ3-CD2 3.98Å; L1192-L1229 HydrophobicContact CD1-CD1 4.21Å; F1223-L1229 HydrophobicContact CD1-CD2 4.01Å; F1226-L1229 HydrophobicContact CB-CB 3.66Å; F1226-L1229 HydrophobicContact CB-CD2 4.3Å; F1226-L1229 HydrophobicContact CD2-CB 4.46Å; F1226-L1229 HydrophobicContact CD2-CD2 3.68Å; F1226-L1229 HydrophobicContact CE2-CD2 4.43Å; F1226-L1229 HydrophobicContact CG-CB 4.45Å; F1226-L1229 HydrophobicContact CG-CD2 4.39Å; F1226-L1229 PolarHBondContact O-N 3.05Å; L1229-N1231 VanDerWaalsContact C-N 3.28Å; L1229-N1231 PolarHBondContact O-N 3.12Å; L1229-C1232 PolarHBondContact O-N 3.2Å; L1229-C1232 VanDerWaalsContact O-N 3.14Å; L1229-L1233 HydrophobicContact CD1-CD1 4.15Å; L1229-L1233 HydrophobicContact CD1-CG 4.13Å; L1229-L1233 HydrophobicContact CD2-CD1 4.47Å; L1229-L1233 HydrophobicContact CG-CD1 3.97Å; L1229-L1233 HydrophobicContact CG-CG 4.36Å; L1229-L1233 WeakPolarHBondContact O-CG 3.39Å; L1229-L1233 PolarHBondContact O-N 3.06Å |
| 1230 | P | 88.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57 | -41.6 | 179.9 | -26.9 | 35.8 | 0 | 0 | 0 | 112.4 | F1223 F1226 L1233 A1234 I1250 S1253 E1254 V1257 | F1223-P1230 HydrophobicContact CB-CG 4.45Å; F1223-P1230 VanDerWaalsContact O-CG 3.27Å; F1223-P1230 WeakPolarHBondContact O-CG 3.33Å; F1226-P1230 WeakPolarHBondContact O-CD 3.27Å; P1230-L1233 PolarHBondContact O-N 3.32Å; P1230-A1234 WeakPolarHBondContact O-CB 3.3Å; P1230-A1234 PolarHBondContact O-N 3.02Å; P1230-I1250 WeakPolarHBondContact O-CG2 3.29Å; P1230-S1253 WeakPolarHBondContact CB-OG 3.33Å; P1230-S1253 WeakPolarHBondContact CG-OG 3.41Å; P1230-E1254 HydrophobicContact CB-CB 3.82Å; P1230-E1254 HydrophobicContact CB-CG 4.34Å; P1230-V1257 HydrophobicContact CG-CG2 4.44Å |
| 1231 | N | 86 | Confident | 84.8 | Confident | 82.4 Ų | 82.4 | 37.3 Ų | 37.3 | 44% | 0.441 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.2 | -173 | 22.5 | 0 | 0 | 0 | 111.9 | N1228 L1229 L1233 A1234 S1235 | N1228-N1231 PolarHBondContact O-N 3.32Å; L1229-N1231 VanDerWaalsContact C-N 3.28Å; L1229-N1231 PolarHBondContact O-N 3.12Å; N1231-L1233 VanDerWaalsContact C-N 3.33Å; N1231-L1233 PolarHBondContact O-N 3.22Å; N1231-A1234 PolarHBondContact O-N 3.14Å; N1231-S1235 VanDerWaalsContact O-CB 3.27Å; N1231-S1235 WeakPolarHBondContact O-CB 3.44Å; N1231-S1235 PolarHBondContact O-N 3.03Å; N1231-S1235 PolarHBondContact O-OG 3.3Å; N1231-S1235 PolarHBondContact OD1-OG 3.17Å |
| 1232 | C | 85.9 | Confident | 84.9 | Confident | 33.6 Ų | 33.6 | 32.7 Ų | 32.7 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 174.9 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | F1085 L1192 F1196 N1228 L1229 S1235 C1236 | F1085-C1232 HydrophobicContact CE2-CB 4.47Å; L1192-C1232 HydrophobicContact CD1-CB 3.9Å; L1192-C1232 HydrophobicContact CD2-CB 3.95Å; F1196-C1232 WeakPolarHBondContact CZ-O 3.28Å; N1228-C1232 PolarHBondContact O-N 2.99Å; N1228-C1232 VanDerWaalsContact O-N 3.09Å; N1228-C1232 PolarHBondContact O-SG 3.19Å; N1228-C1232 VanDerWaalsContact O-SG 3.37Å; L1229-C1232 PolarHBondContact O-N 3.2Å; L1229-C1232 VanDerWaalsContact O-N 3.14Å; C1232-S1235 PolarHBondContact O-N 3.34Å; C1232-C1236 PolarHBondContact O-N 3.19Å; C1232-C1236 PolarHBondContact O-SG 3.32Å |
| 1233 | L | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.4 | -41.7 | 177.1 | -69.1 | 172.2 | 0 | 0 | 0 | 112.3 | L1192 L1195 L1216 F1223 L1229 P1230 N1231 S1235 C1236 F1239 I1250 | L1192-L1233 HydrophobicContact CD2-CD2 3.76Å; L1192-L1233 HydrophobicContact CD2-CG 4.29Å; L1195-L1233 HydrophobicContact CD1-CD2 3.79Å; L1216-L1233 HydrophobicContact CD1-CD2 4.47Å; L1216-L1233 HydrophobicContact CD2-CD1 4.38Å; L1216-L1233 HydrophobicContact CD2-CD2 3.81Å; F1223-L1233 HydrophobicContact CD1-CD1 3.79Å; F1223-L1233 HydrophobicContact CE1-CD1 3.53Å; F1223-L1233 VanDerWaalsContact CE1-CD1 3.49Å; F1223-L1233 HydrophobicContact CE2-CD1 4.47Å; F1223-L1233 HydrophobicContact CG-CD1 4.38Å; F1223-L1233 HydrophobicContact CZ-CD1 3.94Å; L1229-L1233 HydrophobicContact CD1-CD1 4.15Å; L1229-L1233 HydrophobicContact CD1-CG 4.13Å; L1229-L1233 HydrophobicContact CD2-CD1 4.47Å; L1229-L1233 HydrophobicContact CG-CD1 3.97Å; L1229-L1233 HydrophobicContact CG-CG 4.36Å; L1229-L1233 WeakPolarHBondContact O-CG 3.39Å; L1229-L1233 PolarHBondContact O-N 3.06Å; P1230-L1233 PolarHBondContact O-N 3.32Å; N1231-L1233 VanDerWaalsContact C-N 3.33Å; N1231-L1233 PolarHBondContact O-N 3.22Å; L1233-S1235 VanDerWaalsContact C-N 3.27Å; L1233-S1235 PolarHBondContact O-N 3Å; L1233-C1236 WeakPolarHBondContact O-CB 3.3Å; L1233-C1236 PolarHBondContact O-N 3.1Å; L1233-F1239 WeakPolarHBondContact O-CD2 3.31Å; L1233-I1250 HydrophobicContact CB-CD1 4.07Å; L1233-I1250 HydrophobicContact CB-CG1 4.42Å; L1233-I1250 HydrophobicContact CB-CG2 4.06Å; L1233-I1250 HydrophobicContact CD1-CD1 4.41Å; L1233-I1250 HydrophobicContact CD1-CG1 4.32Å |
| 1234 | A | 85.4 | Confident | 84.6 | Confident | 24.8 Ų | 24.8 | 42 Ų | 42 | 21% | 0.205 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.7 | -30.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1230 N1231 C1236 I1250 | P1230-A1234 WeakPolarHBondContact O-CB 3.3Å; P1230-A1234 PolarHBondContact O-N 3.02Å; N1231-A1234 PolarHBondContact O-N 3.14Å; A1234-C1236 VanDerWaalsContact C-N 3.31Å; A1234-C1236 PolarHBondContact O-N 3.07Å; A1234-I1250 HydrophobicContact CB-CG2 4.18Å |
| 1235 | S | 84 | Confident | 84.6 | Confident | 67.4 Ų | 67.4 | 46.5 Ų | 46.5 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.7 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | F1196 N1231 C1232 L1233 | F1196-S1235 WeakPolarHBondContact CE1-O 3.31Å; F1196-S1235 WeakPolarHBondContact CZ-O 3.23Å; N1231-S1235 VanDerWaalsContact O-CB 3.27Å; N1231-S1235 WeakPolarHBondContact O-CB 3.44Å; N1231-S1235 PolarHBondContact O-N 3.03Å; N1231-S1235 PolarHBondContact O-OG 3.3Å; N1231-S1235 PolarHBondContact OD1-OG 3.17Å; C1232-S1235 PolarHBondContact O-N 3.34Å; L1233-S1235 VanDerWaalsContact C-N 3.27Å; L1233-S1235 PolarHBondContact O-N 3Å |
| 1236 | C | 82.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -65.4 | 138 | 177.8 | -70.4 | 0 | 0 | 0 | 0 | 110.9 | F1196 C1232 L1233 A1234 V1238 F1239 | F1196-C1236 HydrophobicContact CE2-CB 4.41Å; F1196-C1236 WeakPolarHBondContact CE2-SG 3.35Å; F1196-C1236 HydrophobicContact CZ-CB 4.45Å; C1232-C1236 PolarHBondContact O-N 3.19Å; C1232-C1236 PolarHBondContact O-SG 3.32Å; L1233-C1236 WeakPolarHBondContact O-CB 3.3Å; L1233-C1236 PolarHBondContact O-N 3.1Å; A1234-C1236 VanDerWaalsContact C-N 3.31Å; A1234-C1236 PolarHBondContact O-N 3.07Å; C1236-V1238 HydrophobicContact CB-CG2 4.39Å; C1236-V1238 PolarHBondContact O-N 3.23Å; C1236-V1238 VanDerWaalsContact O-N 3.14Å; C1236-F1239 HydrophobicContact CB-CB 4.48Å; C1236-F1239 VanDerWaalsContact O-CB 3.22Å; C1236-F1239 WeakPolarHBondContact O-CB 3.39Å; C1236-F1239 PolarHBondContact O-N 3.14Å |
| 1237 | P | 78.4 | Confident | 84.9 | Confident | 66.2 Ų | 66.2 | 45.1 Ų | 45.1 | 43% | 0.43 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.2 | 179.8 | 4.8 | -7.6 | 0 | 0 | 0 | 113 | F1196 F1239 | F1196-P1237 HydrophobicContact CD1-CG 4.3Å; P1237-F1239 VanDerWaalsContact C-N 3.32Å; P1237-F1239 PolarHBondContact O-N 2.9Å |
| 1238 | V | 83.3 | Confident | 84.9 | Confident | 2.6 Ų | 2.6 | 44.4 Ų | 44.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.1 | -179.6 | -126.3 | 0 | 0 | 0 | 0 | 113.4 | L1195 L1198 T1202 F1209 C1236 K1240 A1241 F1242 | L1195-V1238 HydrophobicContact CD2-CG2 4.36Å; L1195-V1238 WeakPolarHBondContact O-CG2 3.48Å; L1198-V1238 HydrophobicContact CB-CG1 3.81Å; L1198-V1238 HydrophobicContact CB-CG2 3.91Å; L1198-V1238 HydrophobicContact CD1-CG2 4.42Å; L1198-V1238 WeakPolarHBondContact O-CG2 3.35Å; T1202-V1238 VanDerWaalsContact OG1-CG1 3.28Å; T1202-V1238 WeakPolarHBondContact OG1-CG1 3.26Å; F1209-V1238 HydrophobicContact CD2-CG1 3.95Å; F1209-V1238 HydrophobicContact CE2-CB 4.42Å; F1209-V1238 HydrophobicContact CE2-CG1 3.54Å; F1209-V1238 VanDerWaalsContact CE2-CG1 3.48Å; F1209-V1238 HydrophobicContact CZ-CG1 4.44Å; C1236-V1238 HydrophobicContact CB-CG2 4.39Å; C1236-V1238 PolarHBondContact O-N 3.23Å; C1236-V1238 VanDerWaalsContact O-N 3.14Å; V1238-K1240 VanDerWaalsContact C-N 3.25Å; V1238-K1240 PolarHBondContact O-N 3.13Å; V1238-K1240 VanDerWaalsContact O-N 3.14Å; V1238-A1241 HydrophobicContact CG1-CB 3.92Å; V1238-A1241 WeakPolarHBondContact O-CA 3.42Å; V1238-A1241 VanDerWaalsContact O-CB 3.28Å; V1238-A1241 WeakPolarHBondContact O-CB 3.32Å; V1238-A1241 PolarHBondContact O-N 3.35Å; V1238-F1242 HydrophobicContact CB-CE1 4.38Å; V1238-F1242 HydrophobicContact CG1-CE1 4.41Å; V1238-F1242 HydrophobicContact CG2-CE1 3.9Å; V1238-F1242 HydrophobicContact CG2-CZ 4.3Å; V1238-F1242 VanDerWaalsContact O-CD1 3.29Å; V1238-F1242 WeakPolarHBondContact O-CD1 3.23Å |
| 1239 | F | 86.2 | Confident | 85 | Confident | 33.2 Ų | 33.2 | 47 Ų | 47 | 15% | 0.146 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -55.6 | -37 | -177.2 | 178.6 | -105.6 | 0 | 0 | 0 | 113 | L1233 C1236 P1237 A1241 F1242 Q1247 I1250 L1251 | L1233-F1239 WeakPolarHBondContact O-CD2 3.31Å; C1236-F1239 HydrophobicContact CB-CB 4.48Å; C1236-F1239 VanDerWaalsContact O-CB 3.22Å; C1236-F1239 WeakPolarHBondContact O-CB 3.39Å; C1236-F1239 PolarHBondContact O-N 3.14Å; P1237-F1239 VanDerWaalsContact C-N 3.32Å; P1237-F1239 PolarHBondContact O-N 2.9Å; F1239-A1241 PolarHBondContact O-N 3.24Å; F1239-F1242 AromaticContact CD2-CD2 3.8Å; F1239-F1242 HydrophobicContact CD2-CD2 3.8Å; F1239-F1242 AromaticContact CD2-CE2 3.94Å; F1239-F1242 HydrophobicContact CD2-CE2 4.06Å; F1239-F1242 HydrophobicContact CD2-CG 4.49Å; F1239-F1242 HydrophobicContact CE2-CD2 4.31Å; F1239-F1242 VanDerWaalsContact O-CB 3.31Å; F1239-F1242 WeakPolarHBondContact O-CB 3.39Å; F1239-F1242 PolarHBondContact O-N 3.11Å; F1239-F1242 VanDerWaalsContact O-N 3.11Å; F1239-Q1247 HydrophobicContact CE1-CG 4.36Å; F1239-Q1247 HydrophobicContact CE2-CB 4.32Å; F1239-Q1247 HydrophobicContact CE2-CG 4.13Å; F1239-Q1247 HydrophobicContact CZ-CB 3.91Å; F1239-Q1247 HydrophobicContact CZ-CG 3.93Å; F1239-Q1247 PolarHBondContact O-NE2 3.21Å; F1239-I1250 HydrophobicContact CD2-CD1 4.36Å; F1239-I1250 HydrophobicContact CE2-CB 4.17Å; F1239-I1250 HydrophobicContact CE2-CD1 3.88Å; F1239-I1250 HydrophobicContact CE2-CG2 4.04Å; F1239-L1251 HydrophobicContact CE1-CD1 4.07Å; F1239-L1251 HydrophobicContact CE2-CD1 4.47Å; F1239-L1251 HydrophobicContact CZ-CD1 4.18Å; F1239-L1251 HydrophobicContact CZ-CD2 4.36Å; F1239-L1251 HydrophobicContact CZ-CG 4.16Å |
| 1240 | K | 81.1 | Confident | 85.1 | Confident | 178.4 Ų | 178.4 | 47 Ų | 47 | 78% | 0.776 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.2 | 176.7 | -65.2 | -177.8 | -177.4 | -179.8 | 0 | 113.7 | V1238 F1242 Q1247 T1568 | V1238-K1240 VanDerWaalsContact C-N 3.25Å; V1238-K1240 PolarHBondContact O-N 3.13Å; V1238-K1240 VanDerWaalsContact O-N 3.14Å; K1240-F1242 VanDerWaalsContact C-N 3.33Å; K1240-Q1247 PolarHBondContact O-NE2 3.29Å; K1240-T1568 WeakPolarHBondContact CE-OG1 3.49Å; K1240-T1568 PolarHBondContact NZ-OG1 2.89Å |
| 1241 | A | 83.2 | Confident | 85 | Confident | 27.2 Ų | 27.2 | 50.7 Ų | 50.7 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -86 | -10 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1204 F1209 V1238 F1239 | M1204-A1241 HydrophobicContact CE-CB 3.66Å; M1204-A1241 VanDerWaalsContact CE-O 3.32Å; M1204-A1241 WeakPolarHBondContact CE-O 3.27Å; M1204-A1241 HydrophobicContact SD-CB 4.03Å; F1209-A1241 HydrophobicContact CE2-CB 4.22Å; F1209-A1241 HydrophobicContact CZ-CB 3.97Å; F1209-A1241 WeakPolarHBondContact CZ-O 3.4Å; V1238-A1241 HydrophobicContact CG1-CB 3.92Å; V1238-A1241 WeakPolarHBondContact O-CA 3.42Å; V1238-A1241 VanDerWaalsContact O-CB 3.28Å; V1238-A1241 WeakPolarHBondContact O-CB 3.32Å; V1238-A1241 PolarHBondContact O-N 3.35Å; F1239-A1241 PolarHBondContact O-N 3.24Å |
| 1242 | F | 87.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -66.1 | 150 | 179.4 | -69.9 | 6.3 | 0 | 0 | 0 | 111.2 | L1195 F1209 I1213 L1216 V1238 F1239 K1240 H1244 L1246 Q1247 I1250 | L1195-F1242 HydrophobicContact CD1-CZ 4.43Å; L1195-F1242 HydrophobicContact CD2-CE1 4.3Å; L1195-F1242 HydrophobicContact CD2-CZ 4.03Å; F1209-F1242 AromaticContact CE2-CD1 3.9Å; F1209-F1242 HydrophobicContact CE2-CD1 3.93Å; F1209-F1242 AromaticContact CE2-CE1 3.89Å; F1209-F1242 HydrophobicContact CE2-CE1 4.03Å; F1209-F1242 AromaticContact CZ-CD1 3.98Å; F1209-F1242 HydrophobicContact CZ-CD1 4.04Å; F1209-F1242 HydrophobicContact CZ-CE1 4.48Å; I1213-F1242 HydrophobicContact CD1-CB 4.32Å; I1213-F1242 HydrophobicContact CD1-CD1 3.47Å; I1213-F1242 VanDerWaalsContact CD1-CD1 3.45Å; I1213-F1242 HydrophobicContact CD1-CD2 4.47Å; I1213-F1242 HydrophobicContact CD1-CE1 3.82Å; I1213-F1242 HydrophobicContact CD1-CG 3.87Å; I1213-F1242 HydrophobicContact CD1-CZ 4.38Å; L1216-F1242 HydrophobicContact CD1-CD2 4.44Å; L1216-F1242 HydrophobicContact CD1-CE1 4.47Å; L1216-F1242 HydrophobicContact CD1-CE2 3.72Å; L1216-F1242 HydrophobicContact CD1-CZ 3.77Å; V1238-F1242 HydrophobicContact CB-CE1 4.38Å; V1238-F1242 HydrophobicContact CG1-CE1 4.41Å; V1238-F1242 HydrophobicContact CG2-CE1 3.9Å; V1238-F1242 HydrophobicContact CG2-CZ 4.3Å; V1238-F1242 VanDerWaalsContact O-CD1 3.29Å; V1238-F1242 WeakPolarHBondContact O-CD1 3.23Å; F1239-F1242 AromaticContact CD2-CD2 3.8Å; F1239-F1242 HydrophobicContact CD2-CD2 3.8Å; F1239-F1242 AromaticContact CD2-CE2 3.94Å; F1239-F1242 HydrophobicContact CD2-CE2 4.06Å; F1239-F1242 HydrophobicContact CD2-CG 4.49Å; F1239-F1242 HydrophobicContact CE2-CD2 4.31Å; F1239-F1242 VanDerWaalsContact O-CB 3.31Å; F1239-F1242 WeakPolarHBondContact O-CB 3.39Å; F1239-F1242 PolarHBondContact O-N 3.11Å; F1239-F1242 VanDerWaalsContact O-N 3.11Å; K1240-F1242 VanDerWaalsContact C-N 3.33Å; F1242-H1244 PolarHBondContact O-N 3.15Å; F1242-L1246 HydrophobicContact CB-CD2 4.29Å; F1242-L1246 HydrophobicContact CD2-CD2 3.81Å; F1242-L1246 HydrophobicContact CD2-CG 4.28Å; F1242-L1246 HydrophobicContact CE2-CD2 4.34Å; F1242-L1246 HydrophobicContact CG-CD2 4.16Å; F1242-Q1247 HydrophobicContact CB-CG 3.84Å; F1242-Q1247 PolarHBondContact O-NE2 3.12Å; F1242-I1250 HydrophobicContact CD2-CD1 3.92Å; F1242-I1250 HydrophobicContact CE2-CD1 4Å |
| 1243 | P | 86.9 | Confident | 84.7 | Confident | 54.4 Ų | 54.4 | 49.5 Ų | 49.5 | 35% | 0.353 | 27% | 0.269 | S | S | . | . | trans | -55.7 | 142 | 171.1 | -23.6 | 33.4 | 0 | 0 | 0 | 111.7 | I1213 D1245 L1246 Q1247 | I1213-P1243 HydrophobicContact CG2-CG 3.83Å; P1243-D1245 VanDerWaalsContact C-N 3.26Å; P1243-D1245 PolarHBondContact O-N 3.32Å; P1243-D1245 VanDerWaalsContact O-N 3.14Å; P1243-L1246 WeakPolarHBondContact O-CA 3.5Å; P1243-L1246 WeakPolarHBondContact O-CB 3.43Å; P1243-L1246 PolarHBondContact O-N 3.13Å; P1243-Q1247 PolarHBondContact O-N 3.24Å; P1243-Q1247 VanDerWaalsContact O-N 3.09Å | ||
| 1244 | H | 80.9 | Confident | 84.4 | Confident | 146.4 Ų | 146.4 | 51.3 Ų | 51.3 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.1 | -36.1 | -176.6 | -69.2 | -57.3 | 0 | 0 | 0 | 113.4 | F1242 L1246 Q1247 G1248 | F1242-H1244 PolarHBondContact O-N 3.15Å; H1244-L1246 VanDerWaalsContact C-N 3.33Å; H1244-L1246 PolarHBondContact O-N 3.18Å; H1244-Q1247 PolarHBondContact ND1-OE1 3Å; H1244-Q1247 PolarHBondContact O-N 3.07Å; H1244-G1248 PolarHBondContact O-N 3.07Å |
| 1245 | D | 83.8 | Confident | 84.1 | Confident | 111.8 Ų | 111.8 | 54.1 Ų | 54.1 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.1 | -47.6 | 174.3 | -63.2 | -11.2 | 0 | 0 | 0 | 111.3 | P1243 G1248 Y1249 | P1243-D1245 VanDerWaalsContact C-N 3.26Å; P1243-D1245 PolarHBondContact O-N 3.32Å; P1243-D1245 VanDerWaalsContact O-N 3.14Å; D1245-G1248 PolarHBondContact O-N 3.24Å; D1245-Y1249 WeakPolarHBondContact O-CD2 3.35Å; D1245-Y1249 PolarHBondContact O-N 3.17Å |
| 1246 | L | 88.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | -179 | -176.2 | 62.9 | 0 | 0 | 0 | 111.7 | I1213 L1216 M1217 F1223 F1242 P1243 H1244 G1248 Y1249 I1250 | I1213-L1246 HydrophobicContact CD1-CD2 3.93Å; I1213-L1246 HydrophobicContact CG2-CD2 4.47Å; L1216-L1246 HydrophobicContact CB-CD1 4.1Å; L1216-L1246 HydrophobicContact CB-CD2 3.83Å; L1216-L1246 HydrophobicContact CD1-CD2 3.98Å; M1217-L1246 HydrophobicContact CG-CD1 4.47Å; M1217-L1246 HydrophobicContact SD-CB 3.87Å; M1217-L1246 HydrophobicContact SD-CD1 3.93Å; M1217-L1246 HydrophobicContact SD-CG 4.35Å; F1223-L1246 HydrophobicContact CE2-CD1 3.87Å; F1223-L1246 HydrophobicContact CZ-CD1 4.08Å; F1242-L1246 HydrophobicContact CB-CD2 4.29Å; F1242-L1246 HydrophobicContact CD2-CD2 3.81Å; F1242-L1246 HydrophobicContact CD2-CG 4.28Å; F1242-L1246 HydrophobicContact CE2-CD2 4.34Å; F1242-L1246 HydrophobicContact CG-CD2 4.16Å; P1243-L1246 WeakPolarHBondContact O-CA 3.5Å; P1243-L1246 WeakPolarHBondContact O-CB 3.43Å; P1243-L1246 PolarHBondContact O-N 3.13Å; H1244-L1246 VanDerWaalsContact C-N 3.33Å; H1244-L1246 PolarHBondContact O-N 3.18Å; L1246-G1248 VanDerWaalsContact C-N 3.28Å; L1246-G1248 PolarHBondContact O-N 3.23Å; L1246-Y1249 PolarHBondContact O-N 3.26Å; L1246-I1250 HydrophobicContact CD1-CD1 4.32Å; L1246-I1250 HydrophobicContact CG-CD1 3.99Å; L1246-I1250 WeakPolarHBondContact O-CG1 3.26Å; L1246-I1250 PolarHBondContact O-N 3.22Å |
| 1247 | Q | 88.5 | Confident | 83.7 | Confident | 33.2 Ų | 33.2 | 52.9 Ų | 52.9 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 172.9 | -65.1 | -179.7 | 10 | 0 | 0 | 110.7 | F1239 K1240 F1242 P1243 H1244 Y1249 I1250 L1251 | F1239-Q1247 HydrophobicContact CE1-CG 4.36Å; F1239-Q1247 HydrophobicContact CE2-CB 4.32Å; F1239-Q1247 HydrophobicContact CE2-CG 4.13Å; F1239-Q1247 HydrophobicContact CZ-CB 3.91Å; F1239-Q1247 HydrophobicContact CZ-CG 3.93Å; F1239-Q1247 PolarHBondContact O-NE2 3.21Å; K1240-Q1247 PolarHBondContact O-NE2 3.29Å; F1242-Q1247 HydrophobicContact CB-CG 3.84Å; F1242-Q1247 PolarHBondContact O-NE2 3.12Å; P1243-Q1247 PolarHBondContact O-N 3.24Å; P1243-Q1247 VanDerWaalsContact O-N 3.09Å; H1244-Q1247 PolarHBondContact ND1-OE1 3Å; H1244-Q1247 PolarHBondContact O-N 3.07Å; Q1247-Y1249 PolarHBondContact O-N 3.42Å; Q1247-I1250 PolarHBondContact O-N 3.06Å; Q1247-L1251 WeakPolarHBondContact O-CB 3.34Å; Q1247-L1251 VanDerWaalsContact O-CG 3.29Å; Q1247-L1251 WeakPolarHBondContact O-CG 3.38Å; Q1247-L1251 PolarHBondContact O-N 3.12Å |
| 1248 | G | 81.7 | Confident | 83.6 | Confident | 27.4 Ų | 27.4 | 55.3 Ų | 55.3 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1244 D1245 L1246 I1250 L1251 N1252 | H1244-G1248 PolarHBondContact O-N 3.07Å; D1245-G1248 PolarHBondContact O-N 3.24Å; L1246-G1248 VanDerWaalsContact C-N 3.28Å; L1246-G1248 PolarHBondContact O-N 3.23Å; G1248-I1250 PolarHBondContact O-N 3.18Å; G1248-L1251 PolarHBondContact O-N 3.4Å; G1248-N1252 VanDerWaalsContact O-CB 3.23Å; G1248-N1252 WeakPolarHBondContact O-CB 3.29Å; G1248-N1252 PolarHBondContact O-N 3.14Å; G1248-N1252 PolarHBondContact O-ND2 3.21Å; G1248-N1252 VanDerWaalsContact O-ND2 3.17Å; G1248-N1252 PolarHBondContact O-OD1 2.86Å |
| 1249 | Y | 87.6 | Confident | 83 | Confident | 86.6 Ų | 86.6 | 59.6 Ų | 59.6 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.7 | -82.2 | -73.4 | 0 | 0 | 0 | 112.8 | I1072 K1220 D1245 L1246 Q1247 S1253 | I1072-Y1249 HydrophobicContact CD1-CE1 3.88Å; I1072-Y1249 HydrophobicContact CG1-CE1 4.14Å; K1220-Y1249 HydrophobicContact CB-CG 4.45Å; K1220-Y1249 HydrophobicContact CD-CD1 4.45Å; K1220-Y1249 HydrophobicContact CD-CD2 3.93Å; K1220-Y1249 HydrophobicContact CD-CE1 4.31Å; K1220-Y1249 HydrophobicContact CD-CE2 3.8Å; K1220-Y1249 HydrophobicContact CD-CG 4.3Å; K1220-Y1249 PolarHBondContact NZ-OH 3.02Å; K1220-Y1249 VanDerWaalsContact NZ-OH 3.11Å; D1245-Y1249 WeakPolarHBondContact O-CD2 3.35Å; D1245-Y1249 PolarHBondContact O-N 3.17Å; L1246-Y1249 PolarHBondContact O-N 3.26Å; Q1247-Y1249 PolarHBondContact O-N 3.42Å; Y1249-S1253 VanDerWaalsContact O-CB 3.31Å; Y1249-S1253 WeakPolarHBondContact O-CB 3.35Å; Y1249-S1253 PolarHBondContact O-N 3.31Å; Y1249-S1253 PolarHBondContact O-OG 3.2Å |
| 1250 | I | 89.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -50.7 | 179.4 | -67.5 | 163.4 | 0 | 0 | 0 | 110.1 | F1223 P1230 L1233 A1234 F1239 F1242 L1246 Q1247 G1248 N1252 S1253 E1254 | F1223-I1250 HydrophobicContact CD2-CG1 3.88Å; F1223-I1250 HydrophobicContact CE2-CD1 4.38Å; F1223-I1250 HydrophobicContact CE2-CG1 3.58Å; F1223-I1250 HydrophobicContact CZ-CG1 4.28Å; P1230-I1250 WeakPolarHBondContact O-CG2 3.29Å; L1233-I1250 HydrophobicContact CB-CD1 4.07Å; L1233-I1250 HydrophobicContact CB-CG1 4.42Å; L1233-I1250 HydrophobicContact CB-CG2 4.06Å; L1233-I1250 HydrophobicContact CD1-CD1 4.41Å; L1233-I1250 HydrophobicContact CD1-CG1 4.32Å; A1234-I1250 HydrophobicContact CB-CG2 4.18Å; F1239-I1250 HydrophobicContact CD2-CD1 4.36Å; F1239-I1250 HydrophobicContact CE2-CB 4.17Å; F1239-I1250 HydrophobicContact CE2-CD1 3.88Å; F1239-I1250 HydrophobicContact CE2-CG2 4.04Å; F1242-I1250 HydrophobicContact CD2-CD1 3.92Å; F1242-I1250 HydrophobicContact CE2-CD1 4Å; L1246-I1250 HydrophobicContact CD1-CD1 4.32Å; L1246-I1250 HydrophobicContact CG-CD1 3.99Å; L1246-I1250 WeakPolarHBondContact O-CG1 3.26Å; L1246-I1250 PolarHBondContact O-N 3.22Å; Q1247-I1250 PolarHBondContact O-N 3.06Å; G1248-I1250 PolarHBondContact O-N 3.18Å; I1250-N1252 PolarHBondContact O-N 3.08Å; I1250-S1253 WeakPolarHBondContact CA-OG 3.45Å; I1250-S1253 PolarHBondContact O-N 2.92Å; I1250-S1253 VanDerWaalsContact O-N 3.15Å; I1250-S1253 PolarHBondContact O-OG 3.23Å; I1250-E1254 PolarHBondContact O-N 3.4Å |
| 1251 | L | 87.8 | Confident | 81.4 | Confident | 78.6 Ų | 78.6 | 55 Ų | 55 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 179.9 | -90.3 | 131.3 | 0 | 0 | 0 | 112.1 | F1239 Q1247 G1248 S1253 E1254 L1255 | F1239-L1251 HydrophobicContact CE1-CD1 4.07Å; F1239-L1251 HydrophobicContact CE2-CD1 4.47Å; F1239-L1251 HydrophobicContact CZ-CD1 4.18Å; F1239-L1251 HydrophobicContact CZ-CD2 4.36Å; F1239-L1251 HydrophobicContact CZ-CG 4.16Å; Q1247-L1251 WeakPolarHBondContact O-CB 3.34Å; Q1247-L1251 VanDerWaalsContact O-CG 3.29Å; Q1247-L1251 WeakPolarHBondContact O-CG 3.38Å; Q1247-L1251 PolarHBondContact O-N 3.12Å; G1248-L1251 PolarHBondContact O-N 3.4Å; L1251-S1253 VanDerWaalsContact C-N 3.31Å; L1251-S1253 PolarHBondContact O-N 3.27Å; L1251-E1254 WeakPolarHBondContact O-CB 3.44Å; L1251-E1254 PolarHBondContact O-N 3.09Å; L1251-L1255 HydrophobicContact CG-CD1 4.48Å; L1251-L1255 WeakPolarHBondContact O-CG 3.36Å; L1251-L1255 PolarHBondContact O-N 3.03Å |
| 1252 | N | 83.4 | Confident | 80.1 | Confident | 85.8 Ų | 85.8 | 58.8 Ų | 58.8 | 46% | 0.459 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 175.6 | -72 | -16.7 | 0 | 0 | 0 | 111.8 | N1071 G1248 I1250 L1255 A1256 | N1071-N1252 WeakPolarHBondContact OD1-CA 3.45Å; N1071-N1252 VanDerWaalsContact OD1-CB 3.24Å; N1071-N1252 WeakPolarHBondContact OD1-CB 3.34Å; N1071-N1252 PolarHBondContact OD1-OD1 3.45Å; G1248-N1252 VanDerWaalsContact O-CB 3.23Å; G1248-N1252 WeakPolarHBondContact O-CB 3.29Å; G1248-N1252 PolarHBondContact O-N 3.14Å; G1248-N1252 PolarHBondContact O-ND2 3.21Å; G1248-N1252 VanDerWaalsContact O-ND2 3.17Å; G1248-N1252 PolarHBondContact O-OD1 2.86Å; I1250-N1252 PolarHBondContact O-N 3.08Å; N1252-L1255 PolarHBondContact O-N 3.19Å; N1252-A1256 VanDerWaalsContact O-CB 3.31Å; N1252-A1256 WeakPolarHBondContact O-CB 3.35Å; N1252-A1256 PolarHBondContact O-N 3.21Å |
| 1253 | S | 80.8 | Confident | 78.3 | Confident | 4.8 Ų | 4.8 | 61.5 Ų | 61.5 | 3% | 0.034 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.3 | -37.8 | 175.1 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | F1223 P1230 Y1249 I1250 L1251 A1256 V1257 | F1223-S1253 VanDerWaalsContact CB-OG 3.31Å; F1223-S1253 WeakPolarHBondContact CB-OG 3.4Å; P1230-S1253 WeakPolarHBondContact CB-OG 3.33Å; P1230-S1253 WeakPolarHBondContact CG-OG 3.41Å; Y1249-S1253 VanDerWaalsContact O-CB 3.31Å; Y1249-S1253 WeakPolarHBondContact O-CB 3.35Å; Y1249-S1253 PolarHBondContact O-N 3.31Å; Y1249-S1253 PolarHBondContact O-OG 3.2Å; I1250-S1253 WeakPolarHBondContact CA-OG 3.45Å; I1250-S1253 PolarHBondContact O-N 2.92Å; I1250-S1253 VanDerWaalsContact O-N 3.15Å; I1250-S1253 PolarHBondContact O-OG 3.23Å; L1251-S1253 VanDerWaalsContact C-N 3.31Å; L1251-S1253 PolarHBondContact O-N 3.27Å; S1253-A1256 PolarHBondContact O-N 2.94Å; S1253-V1257 WeakPolarHBondContact O-CB 3.37Å; S1253-V1257 VanDerWaalsContact O-CG2 3.3Å; S1253-V1257 WeakPolarHBondContact O-CG2 3.35Å; S1253-V1257 PolarHBondContact O-N 3.19Å |
| 1254 | E | 82.4 | Confident | 76.3 | Confident | 37.6 Ų | 37.6 | 63.9 Ų | 63.9 | 18% | 0.176 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.3 | -166.4 | -170.6 | 159.5 | 0 | 0 | 111.3 | P1230 I1250 L1251 V1257 K1258 | P1230-E1254 HydrophobicContact CB-CB 3.82Å; P1230-E1254 HydrophobicContact CB-CG 4.34Å; I1250-E1254 PolarHBondContact O-N 3.4Å; L1251-E1254 WeakPolarHBondContact O-CB 3.44Å; L1251-E1254 PolarHBondContact O-N 3.09Å; E1254-V1257 PolarHBondContact O-N 3.29Å; E1254-K1258 HydrophobicContact CG-CD 4.36Å; E1254-K1258 VanDerWaalsContact O-CB 3.3Å; E1254-K1258 WeakPolarHBondContact O-CB 3.39Å; E1254-K1258 VanDerWaalsContact O-CG 3.28Å; E1254-K1258 WeakPolarHBondContact O-CG 3.34Å; E1254-K1258 PolarHBondContact O-N 3.14Å; E1254-K1258 VanDerWaalsContact OE1-CE 3.25Å; E1254-K1258 WeakPolarHBondContact OE1-CE 3.42Å; E1254-K1258 IonicContact OE1-NZ 3.16Å; E1254-K1258 PolarHBondContact OE1-NZ 2.92Å |
| 1255 | L | 79.2 | Confident | 74.3 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 44% | 0.44 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 173.9 | -69.6 | 174.1 | 0 | 0 | 0 | 111.9 | N1071 L1251 N1252 V1257 K1258 N1259 | N1071-L1255 WeakPolarHBondContact ND2-CB 2.92Å; N1071-L1255 VanDerWaalsContact ND2-CD1 3.29Å; N1071-L1255 WeakPolarHBondContact ND2-CD1 3.36Å; L1251-L1255 HydrophobicContact CG-CD1 4.48Å; L1251-L1255 WeakPolarHBondContact O-CG 3.36Å; L1251-L1255 PolarHBondContact O-N 3.03Å; N1252-L1255 PolarHBondContact O-N 3.19Å; L1255-V1257 PolarHBondContact O-N 3.38Å; L1255-K1258 PolarHBondContact O-N 3.13Å; L1255-N1259 VanDerWaalsContact O-CB 3.28Å; L1255-N1259 WeakPolarHBondContact O-CB 3.35Å; L1255-N1259 PolarHBondContact O-N 3.1Å; L1255-N1259 PolarHBondContact O-ND2 3.09Å; L1255-N1259 VanDerWaalsContact O-ND2 3.17Å; L1255-N1259 PolarHBondContact O-OD1 3.35Å |
| 1256 | A | 78 | Confident | 71.9 | Confident | 31.2 Ų | 31.2 | 63.9 Ų | 63.9 | 26% | 0.258 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V1224 N1252 S1253 N1259 Y1260 | V1224-A1256 HydrophobicContact CG1-CB 4.03Å; V1224-A1256 HydrophobicContact CG2-CB 3.81Å; N1252-A1256 VanDerWaalsContact O-CB 3.31Å; N1252-A1256 WeakPolarHBondContact O-CB 3.35Å; N1252-A1256 PolarHBondContact O-N 3.21Å; S1253-A1256 PolarHBondContact O-N 2.94Å; A1256-N1259 PolarHBondContact O-N 3.28Å; A1256-Y1260 WeakPolarHBondContact O-CB 3.37Å; A1256-Y1260 PolarHBondContact O-N 3.13Å |
| 1257 | V | 78.5 | Confident | 69 | Low | 15.6 Ų | 15.6 | 69.1 Ų | 69.1 | 10% | 0.095 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.4 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | P1080 V1224 S1227 P1230 S1253 E1254 L1255 N1259 Y1260 A1261 | P1080-V1257 HydrophobicContact CB-CG2 4.33Å; P1080-V1257 HydrophobicContact CG-CG1 4.42Å; P1080-V1257 HydrophobicContact CG-CG2 4.46Å; V1224-V1257 HydrophobicContact CG1-CG2 4.49Å; S1227-V1257 WeakPolarHBondContact O-CG1 3.31Å; P1230-V1257 HydrophobicContact CG-CG2 4.44Å; S1253-V1257 WeakPolarHBondContact O-CB 3.37Å; S1253-V1257 VanDerWaalsContact O-CG2 3.3Å; S1253-V1257 WeakPolarHBondContact O-CG2 3.35Å; S1253-V1257 PolarHBondContact O-N 3.19Å; E1254-V1257 PolarHBondContact O-N 3.29Å; L1255-V1257 PolarHBondContact O-N 3.38Å; V1257-N1259 VanDerWaalsContact C-N 3.33Å; V1257-N1259 PolarHBondContact O-N 3.35Å; V1257-Y1260 WeakPolarHBondContact O-CB 3.23Å; V1257-Y1260 PolarHBondContact O-N 3.2Å; V1257-A1261 WeakPolarHBondContact O-CB 3.42Å; V1257-A1261 PolarHBondContact O-N 3.13Å |
| 1258 | K | 76.3 | Confident | 66.2 | Low | 118.2 Ų | 118.2 | 71.8 Ų | 71.8 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.2 | -91.6 | 174 | 179.5 | 173.4 | 0 | 112 | E1254 L1255 Y1260 A1261 L1262 | E1254-K1258 HydrophobicContact CG-CD 4.36Å; E1254-K1258 VanDerWaalsContact O-CB 3.3Å; E1254-K1258 WeakPolarHBondContact O-CB 3.39Å; E1254-K1258 VanDerWaalsContact O-CG 3.28Å; E1254-K1258 WeakPolarHBondContact O-CG 3.34Å; E1254-K1258 PolarHBondContact O-N 3.14Å; E1254-K1258 VanDerWaalsContact OE1-CE 3.25Å; E1254-K1258 WeakPolarHBondContact OE1-CE 3.42Å; E1254-K1258 IonicContact OE1-NZ 3.16Å; E1254-K1258 PolarHBondContact OE1-NZ 2.92Å; L1255-K1258 PolarHBondContact O-N 3.13Å; K1258-Y1260 VanDerWaalsContact C-N 3.33Å; K1258-Y1260 PolarHBondContact O-N 3.16Å; K1258-A1261 PolarHBondContact O-N 3.11Å; K1258-L1262 WeakPolarHBondContact O-CB 3.4Å; K1258-L1262 PolarHBondContact O-N 3.16Å |
| 1259 | N | 72.4 | Confident | 63.5 | Low | 91.4 Ų | 91.4 | 75.3 Ų | 75.3 | 49% | 0.489 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 175.6 | -72.2 | -17.8 | 0 | 0 | 0 | 111.5 | L1255 A1256 V1257 L1262 S1263 | L1255-N1259 VanDerWaalsContact O-CB 3.28Å; L1255-N1259 WeakPolarHBondContact O-CB 3.35Å; L1255-N1259 PolarHBondContact O-N 3.1Å; L1255-N1259 PolarHBondContact O-ND2 3.09Å; L1255-N1259 VanDerWaalsContact O-ND2 3.17Å; L1255-N1259 PolarHBondContact O-OD1 3.35Å; A1256-N1259 PolarHBondContact O-N 3.28Å; V1257-N1259 VanDerWaalsContact C-N 3.33Å; V1257-N1259 PolarHBondContact O-N 3.35Å; N1259-L1262 PolarHBondContact O-N 3.14Å; N1259-S1263 VanDerWaalsContact O-CB 3.3Å; N1259-S1263 WeakPolarHBondContact O-CB 3.39Å; N1259-S1263 PolarHBondContact O-N 2.95Å; N1259-S1263 PolarHBondContact O-OG 3.22Å |
| 1260 | Y | 68.4 | Low | 60.6 | Low | 56.8 Ų | 56.8 | 79.2 Ų | 79.2 | 22% | 0.223 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 173.7 | -173.1 | -90.4 | 0 | 0 | 0 | 111.7 | M1076 P1079 P1080 A1256 V1257 K1258 L1262 S1263 Q1264 | M1076-Y1260 HydrophobicContact CB-CD2 4.25Å; M1076-Y1260 HydrophobicContact CB-CE2 4.43Å; P1079-Y1260 WeakPolarHBondContact CA-OH 3.41Å; P1079-Y1260 HydrophobicContact CB-CE1 3.97Å; P1079-Y1260 WeakPolarHBondContact CB-OH 3.4Å; P1080-Y1260 HydrophobicContact CG-CD1 3.96Å; P1080-Y1260 HydrophobicContact CG-CE1 4.25Å; P1080-Y1260 HydrophobicContact CG-CG 4.1Å; A1256-Y1260 WeakPolarHBondContact O-CB 3.37Å; A1256-Y1260 PolarHBondContact O-N 3.13Å; V1257-Y1260 WeakPolarHBondContact O-CB 3.23Å; V1257-Y1260 PolarHBondContact O-N 3.2Å; K1258-Y1260 VanDerWaalsContact C-N 3.33Å; K1258-Y1260 PolarHBondContact O-N 3.16Å; Y1260-L1262 VanDerWaalsContact C-N 3.31Å; Y1260-L1262 PolarHBondContact O-N 3.29Å; Y1260-S1263 PolarHBondContact O-N 3.2Å; Y1260-S1263 VanDerWaalsContact O-N 3.16Å; Y1260-S1263 PolarHBondContact O-OG 3.04Å; Y1260-Q1264 HydrophobicContact CE1-CG 4.17Å; Y1260-Q1264 PolarHBondContact O-N 3.14Å; Y1260-Q1264 VanDerWaalsContact O-N 3.16Å; Y1260-Q1264 PolarHBondContact OH-NE2 3.16Å |
| 1261 | A | 63.9 | Low | 57.5 | Low | 58.4 Ų | 58.4 | 84.8 Ų | 84.8 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1257 K1258 S1263 Q1264 Q1265 | V1257-A1261 WeakPolarHBondContact O-CB 3.42Å; V1257-A1261 PolarHBondContact O-N 3.13Å; K1258-A1261 PolarHBondContact O-N 3.11Å; A1261-S1263 VanDerWaalsContact C-N 3.33Å; A1261-S1263 PolarHBondContact O-N 3.45Å; A1261-Q1264 PolarHBondContact O-N 3.24Å; A1261-Q1265 PolarHBondContact O-N 3.13Å; A1261-Q1265 VanDerWaalsContact O-N 3.1Å |
| 1262 | L | 56.6 | Low | 54.5 | Low | 108.4 Ų | 108.4 | 90.3 Ų | 90.3 | 57% | 0.568 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | 176.9 | -168 | 68.1 | 0 | 0 | 0 | 112 | K1258 N1259 Y1260 Q1264 Q1265 T1266 L1307 | K1258-L1262 WeakPolarHBondContact O-CB 3.4Å; K1258-L1262 PolarHBondContact O-N 3.16Å; N1259-L1262 PolarHBondContact O-N 3.14Å; Y1260-L1262 VanDerWaalsContact C-N 3.31Å; Y1260-L1262 PolarHBondContact O-N 3.29Å; L1262-Q1264 VanDerWaalsContact C-N 3.3Å; L1262-Q1264 PolarHBondContact O-N 3.37Å; L1262-Q1265 WeakPolarHBondContact O-CB 3.31Å; L1262-Q1265 PolarHBondContact O-N 3.07Å; L1262-T1266 PolarHBondContact O-N 3.26Å; L1262-T1266 PolarHBondContact O-OG1 2.94Å; L1262-T1266 VanDerWaalsContact O-OG1 3.07Å; L1262-L1307 HydrophobicContact CD1-CD1 4.42Å |
| 1263 | S | 49 | Very low | 51.6 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 43% | 0.427 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -33.2 | 177.9 | 72 | 0 | 0 | 0 | 0 | 113.1 | N1259 Y1260 A1261 Q1265 T1266 T1267 | N1259-S1263 VanDerWaalsContact O-CB 3.3Å; N1259-S1263 WeakPolarHBondContact O-CB 3.39Å; N1259-S1263 PolarHBondContact O-N 2.95Å; N1259-S1263 PolarHBondContact O-OG 3.22Å; Y1260-S1263 PolarHBondContact O-N 3.2Å; Y1260-S1263 VanDerWaalsContact O-N 3.16Å; Y1260-S1263 PolarHBondContact O-OG 3.04Å; A1261-S1263 VanDerWaalsContact C-N 3.33Å; A1261-S1263 PolarHBondContact O-N 3.45Å; S1263-Q1265 VanDerWaalsContact C-N 3.32Å; S1263-Q1265 PolarHBondContact O-N 2.94Å; S1263-T1266 WeakPolarHBondContact CA-OG1 3.39Å; S1263-T1266 PolarHBondContact O-N 3.23Å; S1263-T1266 PolarHBondContact O-OG1 3.17Å; S1263-T1266 VanDerWaalsContact O-OG1 3.09Å; S1263-T1267 PolarHBondContact O-N 3.29Å |
| 1264 | Q | 45.7 | Very low | 48.9 | Very low | 105.4 Ų | 105.4 | 101.1 Ų | 101.1 | 49% | 0.493 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72.1 | -23.8 | 175.3 | -77 | -148.7 | 69.5 | 0 | 0 | 113.4 | Y1260 A1261 L1262 T1266 T1267 | Y1260-Q1264 HydrophobicContact CE1-CG 4.17Å; Y1260-Q1264 PolarHBondContact O-N 3.14Å; Y1260-Q1264 VanDerWaalsContact O-N 3.16Å; Y1260-Q1264 PolarHBondContact OH-NE2 3.16Å; A1261-Q1264 PolarHBondContact O-N 3.24Å; L1262-Q1264 VanDerWaalsContact C-N 3.3Å; L1262-Q1264 PolarHBondContact O-N 3.37Å; Q1264-T1266 VanDerWaalsContact C-N 3.27Å; Q1264-T1266 PolarHBondContact O-N 2.91Å; Q1264-T1266 VanDerWaalsContact O-N 3.1Å; Q1264-T1267 PolarHBondContact O-N 3.19Å; Q1264-T1267 PolarHBondContact O-OG1 3.39Å |
| 1265 | Q | 38.7 | Very low | 46 | Very low | 150.2 Ų | 150.2 | 105.2 Ų | 105.2 | 70% | 0.702 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -12.5 | 179.4 | -132.7 | 172.8 | 20.5 | 0 | 0 | 113.4 | A1261 L1262 S1263 T1267 | A1261-Q1265 PolarHBondContact O-N 3.13Å; A1261-Q1265 VanDerWaalsContact O-N 3.1Å; L1262-Q1265 WeakPolarHBondContact O-CB 3.31Å; L1262-Q1265 PolarHBondContact O-N 3.07Å; S1263-Q1265 VanDerWaalsContact C-N 3.32Å; S1263-Q1265 PolarHBondContact O-N 2.94Å; Q1265-T1267 PolarHBondContact O-N 3.43Å |
| 1266 | T | 33.3 | Very low | 43.3 | Very low | 106.8 Ų | 106.8 | 107 Ų | 107 | 66% | 0.655 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -4.4 | 176 | 38.6 | 0 | 0 | 0 | 0 | 114.9 | Q1064 L1262 S1263 Q1264 A1268 | Q1064-T1266 PolarHBondContact NE2-OG1 2.95Å; L1262-T1266 PolarHBondContact O-N 3.26Å; L1262-T1266 PolarHBondContact O-OG1 2.94Å; L1262-T1266 VanDerWaalsContact O-OG1 3.07Å; S1263-T1266 WeakPolarHBondContact CA-OG1 3.39Å; S1263-T1266 PolarHBondContact O-N 3.23Å; S1263-T1266 PolarHBondContact O-OG1 3.17Å; S1263-T1266 VanDerWaalsContact O-OG1 3.09Å; Q1264-T1266 VanDerWaalsContact C-N 3.27Å; Q1264-T1266 PolarHBondContact O-N 2.91Å; Q1264-T1266 VanDerWaalsContact O-N 3.1Å; T1266-A1268 VanDerWaalsContact C-N 3.33Å |
| 1267 | T | 28.5 | Very low | 40.6 | Very low | 109.4 Ų | 109.4 | 112.4 Ų | 112.4 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | trans | -121.8 | 29.8 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | S1263 Q1264 Q1265 S1269 | S1263-T1267 PolarHBondContact O-N 3.29Å; Q1264-T1267 PolarHBondContact O-N 3.19Å; Q1264-T1267 PolarHBondContact O-OG1 3.39Å; Q1265-T1267 PolarHBondContact O-N 3.43Å; T1267-S1269 PolarHBondContact O-N 2.86Å | ||
| 1268 | A | 28.3 | Very low | 38.1 | Very low | 90.8 Ų | 90.8 | 115.2 Ų | 115.2 | 75% | 0.75 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -106.9 | 33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1266 | T1266-A1268 VanDerWaalsContact C-N 3.33Š|
| 1269 | S | 26.2 | Very low | 35.6 | Very low | 100.8 Ų | 100.8 | 115 Ų | 115 | 71% | 0.705 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -150.8 | 69.3 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | T1267 | T1267-S1269 PolarHBondContact O-N 2.86Š|
| 1270 | L | 25 | Very low | 33.2 | Very low | 168.2 Ų | 168.2 | 118.6 Ų | 118.6 | 88% | 0.881 | 70% | 0.702 | S | S | * | * | trans | 178.6 | 90.6 | 163.2 | -88.1 | 137.4 | 0 | 0 | 0 | 112.6 | ||||
| 1271 | S | 25.2 | Very low | 31.1 | Very low | 116.8 Ų | 116.8 | 119.8 Ų | 119.8 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | trans | -174.5 | 100.4 | 150.9 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1272 | K | 23.8 | Very low | 29 | Very low | 194 Ų | 194 | 121.1 Ų | 121.1 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -123 | 136.4 | 158.9 | -94.3 | 176.9 | -177.9 | 174.6 | 0 | 108 | ||||
| 1273 | N | 23.7 | Very low | 27.4 | Very low | 149.6 Ų | 149.6 | 119.5 Ų | 119.5 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | 96.3 | 96.6 | 167.1 | -56.5 | -18.3 | 0 | 0 | 0 | 115.2 | ||||
| 1274 | L | 24.5 | Very low | 26.2 | Very low | 168.8 Ų | 168.8 | 122.2 Ų | 122.2 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -147.9 | 107.7 | 130.4 | -157.8 | 67.6 | 0 | 0 | 0 | 110 | T1276 | L1274-T1276 PolarHBondContact O-N 2.96Š| ||
| 1275 | T | 20.6 | Very low | 25.1 | Very low | 123.2 Ų | 123.2 | 122.3 Ų | 122.3 | 76% | 0.756 | 79% | 0.792 | S | S | * | * | trans | -91.1 | 126.5 | 169.6 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1276 | T | 23.1 | Very low | 24.4 | Very low | 122.2 Ų | 122.2 | 122.8 Ų | 122.8 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | 110.2 | 120.7 | 155 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | L1274 | L1274-T1276 PolarHBondContact O-N 2.96Š| ||
| 1277 | T | 21.7 | Very low | 23.8 | Very low | 144.6 Ų | 144.6 | 126.1 Ų | 126.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -116.4 | 134.5 | 143.5 | 24.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1278 | G | 24.1 | Very low | 23.4 | Very low | 74.2 Ų | 74.2 | 128.3 Ų | 128.3 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | 153.8 | 109.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1279 | S | 23.9 | Very low | 23.2 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | 77.8 | 126.7 | 138.3 | 101.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1280 | N | 23.4 | Very low | 22.9 | Very low | 168.8 Ų | 168.8 | 131.5 Ų | 131.5 | 90% | 0.903 | 82% | 0.823 | S | S | * | * | trans | 51.8 | 132.8 | 145.1 | -75.1 | 2.1 | 0 | 0 | 0 | 120.8 | ||||
| 1281 | G | 23.5 | Very low | 22.7 | Very low | 81.6 Ų | 81.6 | 128.3 Ų | 128.3 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | 130.2 | 116.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1282 | G | 21.1 | Very low | 22.5 | Very low | 85.4 Ų | 85.4 | 129.9 Ų | 129.9 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | cis | 132.8 | 129.2 | 29.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1283 | G | 22.5 | Very low | 22.4 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 119.3 | 111.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1284 | S | 23.1 | Very low | 22.3 | Very low | 117.6 Ų | 117.6 | 131.2 Ų | 131.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 57.6 | 108.7 | 140.1 | -67.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1285 | S | 22.4 | Very low | 22.1 | Very low | 109.2 Ų | 109.2 | 130.8 Ų | 130.8 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | 57.5 | 119.8 | 95 | -59.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1286 | N | 23.6 | Very low | 22.1 | Very low | 160.4 Ų | 160.4 | 129.1 Ų | 129.1 | 86% | 0.858 | 80% | 0.802 | S | S | * | * | trans | 75.3 | 119.7 | 151.4 | -74.5 | -12.1 | 0 | 0 | 0 | 114.9 | ||||
| 1287 | Q | 22.2 | Very low | 22 | Very low | 174.8 Ų | 174.8 | 130.7 Ų | 130.7 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | -165.8 | 140.4 | 111.7 | -84.8 | -145.3 | 9.1 | 0 | 0 | 111.3 | |||||
| 1288 | L | 20.4 | Very low | 22 | Very low | 156.8 Ų | 156.8 | 128.3 Ų | 128.3 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | trans | 41 | 123.4 | 157.2 | -60 | 167.2 | 0 | 0 | 0 | 112.1 | ||||
| 1289 | I | 23.2 | Very low | 22 | Very low | 159.4 Ų | 159.4 | 132.4 Ų | 132.4 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | -149.9 | 125 | 119.8 | -70.7 | 160.8 | 0 | 0 | 0 | 109.6 | S1291 | I1289-S1291 PolarHBondContact O-N 3.24Š| |||
| 1290 | A | 20.4 | Very low | 21.9 | Very low | 98.8 Ų | 98.8 | 133 Ų | 133 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 127.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | H1292 | A1290-H1292 PolarHBondContact O-N 3.48Š| ||
| 1291 | S | 21.1 | Very low | 21.9 | Very low | 100.4 Ų | 100.4 | 131 Ų | 131 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -155.8 | 116.3 | 162.8 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | I1289 Y1293 | I1289-S1291 PolarHBondContact O-N 3.24Å; S1291-Y1293 PolarHBondContact O-N 2.98Å | ||
| 1292 | H | 20.9 | Very low | 21.8 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | 82.7 | 109.8 | 109.3 | -153.7 | 84.8 | 0 | 0 | 0 | 113.2 | A1290 | A1290-H1292 PolarHBondContact O-N 3.48Š| |||
| 1293 | Y | 21.4 | Very low | 21.9 | Very low | 210.2 Ų | 210.2 | 134.7 Ų | 134.7 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -136 | 124.7 | 147 | -75.1 | -88.1 | 0 | 0 | 0 | 114.8 | S1291 | S1291-Y1293 PolarHBondContact O-N 2.98Š| ||
| 1294 | Q | 20.2 | Very low | 21.9 | Very low | 160.6 Ų | 160.6 | 135.7 Ų | 135.7 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | trans | -129.3 | 130.6 | 161.5 | -82.8 | -163.9 | -27 | 0 | 0 | 108.3 | ||||
| 1295 | L | 21.1 | Very low | 21.9 | Very low | 159.8 Ų | 159.8 | 137.5 Ų | 137.5 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | 83.7 | 128.2 | 126.8 | -71.5 | 171.2 | 0 | 0 | 0 | 115 | |||||
| 1296 | A | 21.6 | Very low | 21.9 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 161.8 | 136.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1297 | D | 20.9 | Very low | 21.8 | Very low | 155.2 Ų | 155.2 | 138.2 Ų | 138.2 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -146.7 | 142.6 | 134.7 | -94.1 | -29.6 | 0 | 0 | 0 | 115.4 | ||||
| 1298 | S | 21.8 | Very low | 21.8 | Very low | 95.6 Ų | 95.6 | 135.2 Ų | 135.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | 85.9 | 113.6 | 143.9 | 145.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1299 | L | 22.6 | Very low | 21.9 | Very low | 160.4 Ų | 160.4 | 135.7 Ų | 135.7 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 141.5 | 115.6 | 133.3 | -68.4 | 170.2 | 0 | 0 | 0 | 113.2 | ||||
| 1300 | T | 22.2 | Very low | 21.9 | Very low | 124.8 Ų | 124.8 | 133.5 Ų | 133.5 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -136.8 | 135.1 | 135.4 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | S1302 | T1300-S1302 PolarHBondContact O-N 3.34Š| ||
| 1301 | P | 22.8 | Very low | 22 | Very low | 127.8 Ų | 127.8 | 134.9 Ų | 134.9 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -92.7 | 129.4 | -179.4 | 31.8 | -27.2 | 0 | 0 | 0 | 111.5 | T1303 | P1301-T1303 PolarHBondContact O-N 3.47Š| ||
| 1302 | S | 22.5 | Very low | 22 | Very low | 109.6 Ų | 109.6 | 135.1 Ų | 135.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -114.5 | 118.9 | 167.6 | -44.2 | 0 | 0 | 0 | 0 | 111.2 | T1300 S1304 | T1300-S1302 PolarHBondContact O-N 3.34Å; S1302-S1304 PolarHBondContact O-N 3.35Å | ||
| 1303 | T | 21.9 | Very low | 22.2 | Very low | 134.6 Ų | 134.6 | 134.4 Ų | 134.4 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | 12.7 | 97.3 | 156.5 | -34.5 | 0 | 0 | 0 | 0 | 115.8 | P1301 L1305 | P1301-T1303 PolarHBondContact O-N 3.47Å; T1303-L1305 PolarHBondContact O-N 2.98Å | ||
| 1304 | S | 23.3 | Very low | 22.3 | Very low | 95.2 Ų | 95.2 | 132.3 Ų | 132.3 | 67% | 0.666 | 77% | 0.77 | S | S | * | * | trans | -65.4 | 132.2 | 141.8 | 48 | 0 | 0 | 0 | 0 | 113.1 | S1302 N1306 | S1302-S1304 PolarHBondContact O-N 3.35Å; S1304-N1306 PolarHBondContact O-N 2.91Å | ||
| 1305 | L | 22.8 | Very low | 22.5 | Very low | 154.6 Ų | 154.6 | 131.5 Ų | 131.5 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | -117.6 | 101.7 | 153.6 | -80.8 | 171.6 | 0 | 0 | 0 | 109.1 | T1303 L1307 | T1303-L1305 PolarHBondContact O-N 2.98Å; L1305-L1307 PolarHBondContact O-N 3.2Å | ||
| 1306 | N | 22.8 | Very low | 22.6 | Very low | 138.8 Ų | 138.8 | 127.2 Ų | 127.2 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -76.5 | 109.5 | 172.5 | -99.5 | -14.2 | 0 | 0 | 0 | 109.3 | S1304 T1308 | S1304-N1306 PolarHBondContact O-N 2.91Å; N1306-T1308 PolarHBondContact O-N 3.35Å; N1306-T1308 PolarHBondContact OD1-OG1 2.96Å | ||
| 1307 | L | 22.6 | Very low | 22.7 | Very low | 144.8 Ų | 144.8 | 128.9 Ų | 128.9 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | -93.7 | 79.4 | 165.7 | -75.4 | 168.9 | 0 | 0 | 0 | 110 | L1262 L1305 M1309 | L1262-L1307 HydrophobicContact CD1-CD1 4.42Å; L1305-L1307 PolarHBondContact O-N 3.2Å; L1307-M1309 PolarHBondContact O-N 2.98Å | ||
| 1308 | T | 20.8 | Very low | 22.8 | Very low | 112 Ų | 112 | 125 Ų | 125 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -84.2 | 105.9 | 174.4 | 5.6 | 0 | 0 | 0 | 0 | 110 | N1306 | N1306-T1308 PolarHBondContact O-N 3.35Å; N1306-T1308 PolarHBondContact OD1-OG1 2.96Å | ||
| 1309 | M | 22 | Very low | 22.8 | Very low | 167.6 Ų | 167.6 | 123.8 Ų | 123.8 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -102.5 | 128.1 | 162.7 | -73.8 | -64.7 | -96.2 | 0 | 0 | 109.6 | L1307 T1311 | L1307-M1309 PolarHBondContact O-N 2.98Å; M1309-T1311 PolarHBondContact O-N 3.06Å | ||
| 1310 | P | 23.4 | Very low | 22.9 | Very low | 114.2 Ų | 114.2 | 123 Ų | 123 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -78 | 133.2 | -176.9 | 23.1 | -21.5 | 0 | 0 | 0 | 111.4 | S1312 | P1310-S1312 PolarHBondContact O-N 3.31Å; P1310-S1312 VanDerWaalsContact O-N 3.08Å | ||
| 1311 | T | 22.6 | Very low | 23.1 | Very low | 128 Ų | 128 | 121.6 Ų | 121.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -89.3 | 113.7 | 168.1 | -6.3 | 0 | 0 | 0 | 0 | 111.4 | M1309 N1313 | M1309-T1311 PolarHBondContact O-N 3.06Å; T1311-N1313 PolarHBondContact O-N 3.24Å | ||
| 1312 | S | 22.5 | Very low | 23.2 | Very low | 103.8 Ų | 103.8 | 119.4 Ų | 119.4 | 73% | 0.726 | 77% | 0.771 | S | S | * | * | trans | -99.8 | 130.6 | 158.8 | -23.9 | 0 | 0 | 0 | 0 | 109.7 | M1062 P1310 I1314 | M1062-S1312 PolarHBondContact N-OG 3.46Å; M1062-S1312 VanDerWaalsContact N-OG 3.12Å; P1310-S1312 PolarHBondContact O-N 3.31Å; P1310-S1312 VanDerWaalsContact O-N 3.08Å; S1312-I1314 PolarHBondContact O-N 3.04Å | ||
| 1313 | N | 24.2 | Very low | 23.4 | Very low | 137.6 Ų | 137.6 | 121.3 Ų | 121.3 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -104.7 | 134 | 167.7 | -86.3 | -10.6 | 0 | 0 | 0 | 111.1 | M1062 Q1063 T1311 | M1062-N1313 PolarHBondContact O-N 2.82Å; Q1063-N1313 VanDerWaalsContact C-ND2 3.33Å; Q1063-N1313 PolarHBondContact O-ND2 2.97Å; T1311-N1313 PolarHBondContact O-N 3.24Å | ||
| 1314 | I | 24.4 | Very low | 23.8 | Very low | 165.6 Ų | 165.6 | 120.8 Ų | 120.8 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | trans | -133.1 | 127.4 | 155.9 | -71.9 | 158.4 | 0 | 0 | 0 | 108.3 | S1312 | S1312-I1314 PolarHBondContact O-N 3.04Š| ||
| 1315 | V | 24.2 | Very low | 24.2 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -105.4 | 127.1 | 166.4 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1316 | G | 23.5 | Very low | 25.1 | Very low | 69.2 Ų | 69.2 | 117.3 Ų | 117.3 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | 160.7 | 107.8 | 163 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1317 | S | 23.3 | Very low | 26 | Very low | 124.8 Ų | 124.8 | 115.4 Ų | 115.4 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | trans | 83.4 | 113 | 141.3 | -165 | 0 | 0 | 0 | 0 | 116.9 | G1319 | S1317-G1319 PolarHBondContact O-N 3.24Š| ||
| 1318 | G | 21.6 | Very low | 27.6 | Very low | 73.8 Ų | 73.8 | 110.1 Ų | 110.1 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | trans | 50.9 | 96.5 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | V1320 | G1318-V1320 PolarHBondContact O-N 3.08Š| ||
| 1319 | G | 22.8 | Very low | 29.2 | Very low | 69.8 Ų | 69.8 | 112.3 Ų | 112.3 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | -117 | 126.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1317 A1321 | S1317-G1319 PolarHBondContact O-N 3.24Å; G1319-A1321 PolarHBondContact O-N 3.08Å; G1319-A1321 VanDerWaalsContact O-N 3.14Å | ||
| 1320 | V | 23.9 | Very low | 31.1 | Very low | 144.4 Ų | 144.4 | 106.7 Ų | 106.7 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | trans | -100.7 | 124.1 | 159.6 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | Q638 G1318 A1322 | Q638-V1320 PolarHBondContact NE2-O 3.4Å; Q638-V1320 VanDerWaalsContact NE2-O 3.15Å; G1318-V1320 PolarHBondContact O-N 3.08Å; V1320-A1322 PolarHBondContact O-N 3.18Å | ||
| 1321 | A | 26.6 | Very low | 33.4 | Very low | 93.6 Ų | 93.6 | 103.4 Ų | 103.4 | 77% | 0.774 | 69% | 0.685 | S | S | * | * | trans | -64.4 | 114.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1319 | G1319-A1321 PolarHBondContact O-N 3.08Å; G1319-A1321 VanDerWaalsContact O-N 3.14Å | ||
| 1322 | A | 26 | Very low | 35.5 | Very low | 83 Ų | 83 | 104 Ų | 104 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | trans | -112.4 | 136.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1320 T1324 | V1320-A1322 PolarHBondContact O-N 3.18Å; A1322-T1324 PolarHBondContact O-N 3.19Å; A1322-T1324 VanDerWaalsContact O-N 3.09Å | ||
| 1323 | D | 26.2 | Very low | 37.7 | Very low | 148.4 Ų | 148.4 | 102.6 Ų | 102.6 | 79% | 0.794 | 68% | 0.678 | S | S | * | * | trans | 35.3 | 76.5 | 160.1 | -63.4 | -20.6 | 0 | 0 | 0 | 118 | S1325 Y1413 | D1323-S1325 PolarHBondContact O-N 3.12Å; D1323-S1325 VanDerWaalsContact O-N 3.13Å; D1323-S1325 PolarHBondContact O-OG 3.44Å; D1323-Y1413 PolarHBondContact OD2-OH 3.27Å; D1323-Y1413 VanDerWaalsContact OD2-OH 3.11Å | ||
| 1324 | T | 29.4 | Very low | 40.2 | Very low | 125.4 Ų | 125.4 | 97.2 Ų | 97.2 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | -60.3 | 93.8 | 160.5 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | A1322 S1326 C1327 R1417 | A1322-T1324 PolarHBondContact O-N 3.19Å; A1322-T1324 VanDerWaalsContact O-N 3.09Å; T1324-S1326 PolarHBondContact O-N 3.25Å; T1324-S1326 VanDerWaalsContact O-N 3.14Å; T1324-C1327 PolarHBondContact O-N 3.35Å; T1324-R1417 PolarHBondContact O-NH2 2.96Å | ||
| 1325 | S | 32.4 | Very low | 42.6 | Very low | 85.4 Ų | 85.4 | 95.9 Ų | 95.9 | 60% | 0.597 | 64% | 0.641 | S | S | * | * | trans | -52.3 | 89.1 | 168.7 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | D1323 C1327 | D1323-S1325 PolarHBondContact O-N 3.12Å; D1323-S1325 VanDerWaalsContact O-N 3.13Å; D1323-S1325 PolarHBondContact O-OG 3.44Å; S1325-C1327 VanDerWaalsContact C-N 3.28Å; S1325-C1327 PolarHBondContact O-N 2.88Å | ||
| 1326 | S | 41.1 | Very low | 45.1 | Very low | 90.4 Ų | 90.4 | 96.2 Ų | 96.2 | 63% | 0.632 | 63% | 0.633 | S | S | * | * | trans | -73 | 58.5 | -175.7 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | T1324 I1328 F1421 | T1324-S1326 PolarHBondContact O-N 3.25Å; T1324-S1326 VanDerWaalsContact O-N 3.14Å; S1326-I1328 PolarHBondContact O-N 3.21Å; S1326-F1421 WeakPolarHBondContact O-CE2 3.27Å; S1326-F1421 VanDerWaalsContact O-CZ 3.27Å; S1326-F1421 WeakPolarHBondContact O-CZ 3.49Å; S1326-F1421 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 1327 | C | 42.5 | Very low | 47.8 | Very low | 99 Ų | 99 | 96.3 Ų | 96.3 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | trans | -101.6 | 126.6 | 171.4 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | T1324 S1325 K1329 R1417 | T1324-C1327 PolarHBondContact O-N 3.35Å; S1325-C1327 VanDerWaalsContact C-N 3.28Å; S1325-C1327 PolarHBondContact O-N 2.88Å; C1327-K1329 VanDerWaalsContact C-N 3.27Å; C1327-K1329 PolarHBondContact O-N 3.31Å; C1327-K1329 VanDerWaalsContact O-N 3.15Å; C1327-R1417 PolarHBondContact O-NH2 3.06Å | ||
| 1328 | I | 55.7 | Low | 50.6 | Low | 32.2 Ų | 32.2 | 92.4 Ų | 92.4 | 17% | 0.165 | 59% | 0.591 | C | S | . | * | trans | -70.6 | 95.4 | 170.9 | -59.7 | -175 | 0 | 0 | 0 | 107.6 | S1326 A1330 F1376 R1417 H1418 F1421 | S1326-I1328 PolarHBondContact O-N 3.21Å; I1328-A1330 PolarHBondContact O-N 3.23Å; I1328-F1376 HydrophobicContact CG2-CD2 4.26Å; I1328-F1376 HydrophobicContact CG2-CE2 3.72Å; I1328-R1417 VanDerWaalsContact CG1-NH1 3.26Å; I1328-R1417 VanDerWaalsContact CG2-CZ 3.5Å; I1328-R1417 VanDerWaalsContact CG2-NH1 3.34Å; I1328-R1417 VanDerWaalsContact CG2-NH2 3.27Å; I1328-H1418 VanDerWaalsContact CD1-CD2 3.48Å; I1328-H1418 WeakPolarHBondContact CD1-CD2 3.3Å; I1328-H1418 VanDerWaalsContact CD1-NE2 3.32Å; I1328-H1418 WeakPolarHBondContact CD1-NE2 3.31Å; I1328-F1421 HydrophobicContact CD1-CB 3.89Å; I1328-F1421 HydrophobicContact CD1-CD1 3.86Å; I1328-F1421 HydrophobicContact CD1-CD2 4.01Å; I1328-F1421 HydrophobicContact CD1-CE1 4.41Å; I1328-F1421 HydrophobicContact CD1-CE2 4.39Å; I1328-F1421 HydrophobicContact CD1-CG 3.64Å; I1328-F1421 HydrophobicContact CG1-CB 4.43Å; I1328-F1421 HydrophobicContact CG1-CD1 4.28Å; I1328-F1421 HydrophobicContact CG1-CD2 3.87Å; I1328-F1421 HydrophobicContact CG1-CE1 4.35Å; I1328-F1421 HydrophobicContact CG1-CE2 4.11Å; I1328-F1421 HydrophobicContact CG1-CG 4.04Å; I1328-F1421 HydrophobicContact CG1-CZ 4.34Å | ||
| 1329 | K | 54.1 | Low | 53.5 | Low | 159.8 Ų | 159.8 | 89.4 Ų | 89.4 | 70% | 0.695 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.1 | 175.3 | -155.5 | 179.7 | 177.2 | -173.3 | 0 | 108.9 | T634 C1327 P1331 | T634-K1329 VanDerWaalsContact CB-NZ 3.25Å; T634-K1329 PolarHBondContact OG1-NZ 3.13Å; C1327-K1329 VanDerWaalsContact C-N 3.27Å; C1327-K1329 PolarHBondContact O-N 3.31Å; C1327-K1329 VanDerWaalsContact O-N 3.15Å; K1329-P1331 WeakPolarHBondContact O-CD 3.28Å |
| 1330 | A | 62.4 | Low | 56.5 | Low | 50 Ų | 50 | 90.4 Ų | 90.4 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 132.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I1328 F1376 | I1328-A1330 PolarHBondContact O-N 3.23Å; A1330-F1376 HydrophobicContact CB-CD1 4.07Å; A1330-F1376 HydrophobicContact CB-CE1 3.45Å; A1330-F1376 VanDerWaalsContact CB-CE1 3.48Å; A1330-F1376 HydrophobicContact CB-CE2 4.37Å; A1330-F1376 HydrophobicContact CB-CZ 3.63Å |
| 1331 | P | 71.1 | Confident | 59.5 | Low | 43.2 Ų | 43.2 | 88.2 Ų | 88.2 | 28% | 0.281 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 150.9 | 168.6 | -21.9 | 33.3 | 0 | 0 | 0 | 110.9 | K1329 A1333 P1372 W1373 F1376 | K1329-P1331 WeakPolarHBondContact O-CD 3.28Å; P1331-A1333 PolarHBondContact O-N 2.99Å; P1331-A1333 VanDerWaalsContact O-N 3.15Å; P1331-P1372 HydrophobicContact CB-CB 4.41Å; P1331-P1372 HydrophobicContact CG-CB 4.38Å; P1331-W1373 HydrophobicContact CB-CB 4.34Å; P1331-F1376 VanDerWaalsContact CD-CG 3.46Å; P1331-F1376 HydrophobicContact CG-CB 4.06Å; P1331-F1376 HydrophobicContact CG-CG 4.38Å |
| 1332 | D | 68 | Low | 62.4 | Low | 140.8 Ų | 140.8 | 83.8 Ų | 83.8 | 75% | 0.753 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 129.4 | 178.8 | -62.5 | -37.5 | 0 | 0 | 0 | 110.3 | R1369 | D1332-R1369 IonicContact OD2-NH2 3.04Š|
| 1333 | A | 69.1 | Low | 65.3 | Low | 74.6 Ų | 74.6 | 83.6 Ų | 83.6 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 141 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1331 | P1331-A1333 PolarHBondContact O-N 2.99Å; P1331-A1333 VanDerWaalsContact O-N 3.15Å |
| 1334 | P | 75 | Confident | 68.3 | Low | 25.4 Ų | 25.4 | 81.3 Ų | 81.3 | 17% | 0.165 | 45% | 0.452 | C | S | . | . | trans | -68.2 | 178.5 | 172.7 | 29.6 | -33.4 | 0 | 0 | 0 | 111.3 | E1336 I1338 L1370 W1373 | P1334-E1336 PolarHBondContact O-N 3.11Å; P1334-I1338 HydrophobicContact CB-CB 4.38Å; P1334-I1338 HydrophobicContact CB-CG2 4.36Å; P1334-L1370 HydrophobicContact CB-CD2 3.39Å; P1334-L1370 HydrophobicContact CB-CG 4.35Å; P1334-L1370 HydrophobicContact CG-CD2 3.92Å; P1334-L1370 VanDerWaalsContact CG-CD2 3.47Å; P1334-W1373 VanDerWaalsContact CD-CD2 3.47Å; P1334-W1373 VanDerWaalsContact CD-CE2 3.43Å; P1334-W1373 VanDerWaalsContact CD-CG 3.45Å; P1334-W1373 HydrophobicContact CG-CD2 3.88Å; P1334-W1373 HydrophobicContact CG-CE3 3.91Å; P1334-W1373 HydrophobicContact CG-CG 4.41Å; P1334-W1373 HydrophobicContact CG-CH2 4.29Å; P1334-W1373 HydrophobicContact CG-CZ2 4.23Å; P1334-W1373 HydrophobicContact CG-CZ3 4.12Å | ||
| 1335 | E | 75.2 | Confident | 71.2 | Confident | 138.2 Ų | 138.2 | 75.5 Ų | 75.5 | 65% | 0.646 | 42% | 0.417 | S | S | * | . | trans | -49 | 135.5 | 170.5 | -126.8 | -177.2 | 163.6 | 0 | 0 | 111 | S1337 I1338 S1339 | E1335-S1337 VanDerWaalsContact CD-OG 3.23Å; E1335-S1337 WeakPolarHBondContact CG-OG 3.31Å; E1335-S1337 PolarHBondContact O-N 3.03Å; E1335-S1337 VanDerWaalsContact O-N 3.11Å; E1335-S1337 WeakPolarHBondContact OE1-CB 3.49Å; E1335-S1337 PolarHBondContact OE1-OG 3.19Å; E1335-I1338 HydrophobicContact CB-CD1 4.18Å; E1335-I1338 HydrophobicContact CB-CG1 4.31Å; E1335-I1338 WeakPolarHBondContact O-CA 3.4Å; E1335-I1338 WeakPolarHBondContact O-CB 3.35Å; E1335-I1338 PolarHBondContact O-N 3.26Å; E1335-S1339 PolarHBondContact O-N 3.37Å; E1335-S1339 VanDerWaalsContact O-N 3.13Å | ||
| 1336 | E | 76.6 | Confident | 73.7 | Confident | 149.4 Ų | 149.4 | 71.9 Ų | 71.9 | 70% | 0.698 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -53.8 | -37 | -173.3 | -169.7 | 169.7 | -161.5 | 0 | 0 | 111.7 | P1334 I1338 S1339 D1340 | P1334-E1336 PolarHBondContact O-N 3.11Å; E1336-I1338 VanDerWaalsContact C-N 3.33Å; E1336-I1338 PolarHBondContact O-N 3.11Å; E1336-S1339 WeakPolarHBondContact CA-OG 3.4Å; E1336-S1339 PolarHBondContact O-N 3.08Å; E1336-S1339 VanDerWaalsContact O-N 3.08Å; E1336-S1339 PolarHBondContact O-OG 3.13Å; E1336-D1340 VanDerWaalsContact O-CB 3.29Å; E1336-D1340 WeakPolarHBondContact O-CB 3.43Å; E1336-D1340 VanDerWaalsContact O-CG 3.29Å; E1336-D1340 PolarHBondContact O-N 3.15Å |
| 1337 | S | 80.6 | Confident | 75.9 | Confident | 70.4 Ų | 70.4 | 72.6 Ų | 72.6 | 49% | 0.492 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 174.4 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | E1335 R1341 | E1335-S1337 VanDerWaalsContact CD-OG 3.23Å; E1335-S1337 WeakPolarHBondContact CG-OG 3.31Å; E1335-S1337 PolarHBondContact O-N 3.03Å; E1335-S1337 VanDerWaalsContact O-N 3.11Å; E1335-S1337 WeakPolarHBondContact OE1-CB 3.49Å; E1335-S1337 PolarHBondContact OE1-OG 3.19Å; S1337-R1341 WeakPolarHBondContact O-CB 3.44Å; S1337-R1341 PolarHBondContact O-N 3.08Å |
| 1338 | I | 82.1 | Confident | 78.1 | Confident | 42.4 Ų | 42.4 | 71.6 Ų | 71.6 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76.3 | -44.6 | 179.1 | -58.1 | 173.3 | 0 | 0 | 0 | 109.4 | P1334 E1335 E1336 D1340 R1341 V1342 L1370 | P1334-I1338 HydrophobicContact CB-CB 4.38Å; P1334-I1338 HydrophobicContact CB-CG2 4.36Å; E1335-I1338 HydrophobicContact CB-CD1 4.18Å; E1335-I1338 HydrophobicContact CB-CG1 4.31Å; E1335-I1338 WeakPolarHBondContact O-CA 3.4Å; E1335-I1338 WeakPolarHBondContact O-CB 3.35Å; E1335-I1338 PolarHBondContact O-N 3.26Å; E1336-I1338 VanDerWaalsContact C-N 3.33Å; E1336-I1338 PolarHBondContact O-N 3.11Å; I1338-D1340 PolarHBondContact O-N 3.19Å; I1338-R1341 WeakPolarHBondContact O-CB 3.4Å; I1338-R1341 PolarHBondContact O-N 3.26Å; I1338-R1341 VanDerWaalsContact O-N 3.15Å; I1338-V1342 WeakPolarHBondContact O-CG2 3.36Å; I1338-V1342 PolarHBondContact O-N 3.14Å; I1338-L1370 HydrophobicContact CD1-CD1 4.39Å; I1338-L1370 HydrophobicContact CG2-CD1 4.09Å; I1338-L1370 HydrophobicContact CG2-CD2 3.99Å |
| 1339 | S | 83.6 | Confident | 79.7 | Confident | 11.6 Ų | 11.6 | 70.9 Ų | 70.9 | 8% | 0.081 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 179.3 | 60 | 0 | 0 | 0 | 0 | 112 | E1335 E1336 R1341 V1342 Y1343 | E1335-S1339 PolarHBondContact O-N 3.37Å; E1335-S1339 VanDerWaalsContact O-N 3.13Å; E1336-S1339 WeakPolarHBondContact CA-OG 3.4Å; E1336-S1339 PolarHBondContact O-N 3.08Å; E1336-S1339 VanDerWaalsContact O-N 3.08Å; E1336-S1339 PolarHBondContact O-OG 3.13Å; S1339-R1341 VanDerWaalsContact C-N 3.28Å; S1339-R1341 PolarHBondContact O-N 3.13Å; S1339-V1342 PolarHBondContact O-N 3.1Å; S1339-V1342 VanDerWaalsContact O-N 3.17Å; S1339-Y1343 VanDerWaalsContact O-CD1 3.25Å; S1339-Y1343 WeakPolarHBondContact O-CD1 3.36Å; S1339-Y1343 WeakPolarHBondContact O-CD2 3.35Å; S1339-Y1343 PolarHBondContact O-N 2.89Å |
| 1340 | D | 84.1 | Confident | 81.5 | Confident | 90.2 Ų | 90.2 | 65.5 Ų | 65.5 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 175.9 | -84.9 | -10.6 | 0 | 0 | 0 | 111.7 | E1336 I1338 Y1343 F1344 | E1336-D1340 VanDerWaalsContact O-CB 3.29Å; E1336-D1340 WeakPolarHBondContact O-CB 3.43Å; E1336-D1340 VanDerWaalsContact O-CG 3.29Å; E1336-D1340 PolarHBondContact O-N 3.15Å; I1338-D1340 PolarHBondContact O-N 3.19Å; D1340-Y1343 PolarHBondContact O-N 3.2Å; D1340-F1344 VanDerWaalsContact O-CB 3.3Å; D1340-F1344 WeakPolarHBondContact O-CB 3.32Å; D1340-F1344 PolarHBondContact O-N 3.22Å |
| 1341 | R | 86.7 | Confident | 82.7 | Confident | 98.2 Ų | 98.2 | 70 Ų | 70 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 175.7 | -169.3 | 58.1 | 177.8 | -175.9 | -0.2 | 111.7 | S1337 I1338 S1339 Y1343 F1344 L1345 E1360 L1364 | S1337-R1341 WeakPolarHBondContact O-CB 3.44Å; S1337-R1341 PolarHBondContact O-N 3.08Å; I1338-R1341 WeakPolarHBondContact O-CB 3.4Å; I1338-R1341 PolarHBondContact O-N 3.26Å; I1338-R1341 VanDerWaalsContact O-N 3.15Å; S1339-R1341 VanDerWaalsContact C-N 3.28Å; S1339-R1341 PolarHBondContact O-N 3.13Å; R1341-Y1343 VanDerWaalsContact C-N 3.33Å; R1341-Y1343 PolarHBondContact O-N 3.2Å; R1341-F1344 PolarHBondContact O-N 3.25Å; R1341-L1345 HydrophobicContact CG-CD1 4.12Å; R1341-L1345 WeakPolarHBondContact O-CD1 3.37Å; R1341-L1345 VanDerWaalsContact O-CG 3.25Å; R1341-L1345 WeakPolarHBondContact O-CG 3.41Å; R1341-L1345 PolarHBondContact O-N 3.05Å; R1341-E1360 IonicContact CZ-OE1 3.19Å; R1341-E1360 IonicContact NE-OE1 3.28Å; R1341-E1360 PolarHBondContact NE-OE1 3.05Å; R1341-E1360 IonicContact NH2-OE1 3.12Å; R1341-E1360 PolarHBondContact NH2-OE1 3.13Å; R1341-E1360 IonicContact NH2-OE2 3.62Å; R1341-L1364 HydrophobicContact CB-CD1 4.17Å; R1341-L1364 HydrophobicContact CG-CD1 3.62Å |
| 1342 | V | 87.6 | Confident | 83.6 | Confident | 0.8 Ų | 0.8 | 74.6 Ų | 74.6 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.3 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | I1338 S1339 F1344 L1345 F1346 L1361 L1364 W1373 F1374 Y1377 | I1338-V1342 WeakPolarHBondContact O-CG2 3.36Å; I1338-V1342 PolarHBondContact O-N 3.14Å; S1339-V1342 PolarHBondContact O-N 3.1Å; S1339-V1342 VanDerWaalsContact O-N 3.17Å; V1342-F1344 PolarHBondContact O-N 3.4Å; V1342-L1345 PolarHBondContact O-N 3.26Å; V1342-F1346 HydrophobicContact CG1-CD2 4.09Å; V1342-F1346 HydrophobicContact CG1-CE2 4.27Å; V1342-F1346 WeakPolarHBondContact O-CD2 3.35Å; V1342-F1346 PolarHBondContact O-N 3.17Å; V1342-F1346 VanDerWaalsContact O-N 3.1Å; V1342-L1361 HydrophobicContact CB-CD1 4.49Å; V1342-L1361 HydrophobicContact CG1-CD1 4.22Å; V1342-L1361 HydrophobicContact CG2-CD1 3.87Å; V1342-L1364 HydrophobicContact CG2-CD1 4.42Å; V1342-W1373 HydrophobicContact CB-CH2 4.39Å; V1342-W1373 HydrophobicContact CB-CZ3 4.3Å; V1342-W1373 HydrophobicContact CG1-CH2 4.47Å; V1342-W1373 HydrophobicContact CG1-CZ3 4.25Å; V1342-W1373 HydrophobicContact CG2-CZ3 4.33Å; V1342-F1374 HydrophobicContact CG1-CD2 4.34Å; V1342-Y1377 HydrophobicContact CG1-CD1 4.18Å; V1342-Y1377 HydrophobicContact CG1-CE1 3.78Å |
| 1343 | Y | 88.1 | Confident | 84.6 | Confident | 80.8 Ų | 80.8 | 69.9 Ų | 69.9 | 32% | 0.317 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.6 | -61.6 | -13.7 | 0 | 0 | 0 | 111.7 | S1339 D1340 R1341 L1345 F1346 N1347 W1373 Y1377 R1382 | S1339-Y1343 VanDerWaalsContact O-CD1 3.25Å; S1339-Y1343 WeakPolarHBondContact O-CD1 3.36Å; S1339-Y1343 WeakPolarHBondContact O-CD2 3.35Å; S1339-Y1343 PolarHBondContact O-N 2.89Å; D1340-Y1343 PolarHBondContact O-N 3.2Å; R1341-Y1343 VanDerWaalsContact C-N 3.33Å; R1341-Y1343 PolarHBondContact O-N 3.2Å; Y1343-L1345 VanDerWaalsContact C-N 3.31Å; Y1343-L1345 PolarHBondContact O-N 3.13Å; Y1343-F1346 PolarHBondContact O-N 3.05Å; Y1343-N1347 WeakPolarHBondContact O-CB 3.41Å; Y1343-N1347 PolarHBondContact O-N 3.29Å; Y1343-N1347 PolarHBondContact O-ND2 3.15Å; Y1343-N1347 PolarHBondContact O-OD1 3.3Å; Y1343-W1373 HydrophobicContact CD1-CH2 4.47Å; Y1343-W1373 AromaticContact CE1-CH2 3.78Å; Y1343-W1373 HydrophobicContact CE1-CH2 3.78Å; Y1343-W1373 AromaticContact CE1-CZ2 3.92Å; Y1343-W1373 HydrophobicContact CE1-CZ2 3.99Å; Y1343-W1373 WeakPolarHBondContact OH-CZ2 3.37Å; Y1343-Y1377 HydrophobicContact CD1-CD2 4.13Å; Y1343-Y1377 HydrophobicContact CD1-CE1 4.24Å; Y1343-Y1377 AromaticContact CD1-CE2 3.39Å; Y1343-Y1377 HydrophobicContact CD1-CE2 3.39Å; Y1343-Y1377 VanDerWaalsContact CD1-CE2 3.43Å; Y1343-Y1377 AromaticContact CD1-CZ 3.42Å; Y1343-Y1377 VanDerWaalsContact CD1-CZ 3.46Å; Y1343-Y1377 VanDerWaalsContact CD1-OH 3.26Å; Y1343-Y1377 WeakPolarHBondContact CD1-OH 3.37Å; Y1343-Y1377 AromaticContact CE1-CD2 3.48Å; Y1343-Y1377 HydrophobicContact CE1-CD2 3.48Å; Y1343-Y1377 VanDerWaalsContact CE1-CD2 3.47Å; Y1343-Y1377 HydrophobicContact CE1-CE1 4.39Å; Y1343-Y1377 AromaticContact CE1-CE2 3.19Å; Y1343-Y1377 HydrophobicContact CE1-CE2 3.19Å; Y1343-Y1377 HydrophobicContact CE1-CG 4.18Å; Y1343-Y1377 AromaticContact CE1-CZ 3.67Å; Y1343-Y1377 HydrophobicContact CG-CE2 4.48Å; Y1343-R1382 PolarHBondContact O-NH2 3.31Å |
| 1344 | F | 89.4 | Confident | 85.7 | Confident | 99.6 Ų | 99.6 | 66.3 Ų | 66.3 | 44% | 0.437 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 175.3 | -177.2 | -94.8 | 0 | 0 | 0 | 112 | D1340 R1341 V1342 N1347 N1348 | D1340-F1344 VanDerWaalsContact O-CB 3.3Å; D1340-F1344 WeakPolarHBondContact O-CB 3.32Å; D1340-F1344 PolarHBondContact O-N 3.22Å; R1341-F1344 PolarHBondContact O-N 3.25Å; V1342-F1344 PolarHBondContact O-N 3.4Å; F1344-N1347 PolarHBondContact O-N 3.25Å; F1344-N1348 WeakPolarHBondContact CD2-ND2 3.43Å; F1344-N1348 VanDerWaalsContact CE2-ND2 3.3Å; F1344-N1348 WeakPolarHBondContact CE2-ND2 3.32Å; F1344-N1348 WeakPolarHBondContact O-CB 3.38Å; F1344-N1348 PolarHBondContact O-N 3.05Å; F1344-N1348 VanDerWaalsContact O-N 3.15Å; F1344-N1348 PolarHBondContact O-ND2 3.12Å |
| 1345 | L | 88.7 | Confident | 86.4 | Confident | 3.4 Ų | 3.4 | 71.1 Ų | 71.1 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -48.4 | 178.2 | -87.5 | 107.4 | 0 | 0 | 0 | 112 | R1341 V1342 Y1343 N1347 N1348 V1349 K1357 E1360 L1361 L1364 | R1341-L1345 HydrophobicContact CG-CD1 4.12Å; R1341-L1345 WeakPolarHBondContact O-CD1 3.37Å; R1341-L1345 VanDerWaalsContact O-CG 3.25Å; R1341-L1345 WeakPolarHBondContact O-CG 3.41Å; R1341-L1345 PolarHBondContact O-N 3.05Å; V1342-L1345 PolarHBondContact O-N 3.26Å; Y1343-L1345 VanDerWaalsContact C-N 3.31Å; Y1343-L1345 PolarHBondContact O-N 3.13Å; L1345-N1347 VanDerWaalsContact C-N 3.33Å; L1345-N1347 PolarHBondContact O-N 3.04Å; L1345-N1348 CarbonylContact O-C 3.53Å; L1345-N1348 PolarHBondContact O-N 3.24Å; L1345-V1349 WeakPolarHBondContact O-CB 3.4Å; L1345-V1349 PolarHBondContact O-N 3.12Å; L1345-K1357 HydrophobicContact CD2-CB 4.29Å; L1345-K1357 HydrophobicContact CD2-CD 3.36Å; L1345-K1357 VanDerWaalsContact CD2-CD 3.4Å; L1345-K1357 HydrophobicContact CD2-CG 4.44Å; L1345-K1357 WeakPolarHBondContact CD2-O 3.31Å; L1345-K1357 HydrophobicContact CG-CD 4.27Å; L1345-E1360 HydrophobicContact CD1-CG 4.44Å; L1345-E1360 HydrophobicContact CD2-CB 4.14Å; L1345-E1360 HydrophobicContact CD2-CG 4.16Å; L1345-E1360 WeakPolarHBondContact CD2-OE2 3.25Å; L1345-L1361 HydrophobicContact CD1-CB 4.04Å; L1345-L1361 HydrophobicContact CD1-CD1 4.16Å; L1345-L1361 HydrophobicContact CD2-CB 3.79Å; L1345-L1364 HydrophobicContact CD1-CD1 3.75Å |
| 1346 | F | 86.4 | Confident | 87.1 | Confident | 9.4 Ų | 9.4 | 70.6 Ų | 70.6 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 178.7 | -88.4 | -91.7 | 0 | 0 | 0 | 113.2 | V1342 Y1343 N1348 V1349 L1361 F1374 Y1377 L1378 F1393 V1396 | V1342-F1346 HydrophobicContact CG1-CD2 4.09Å; V1342-F1346 HydrophobicContact CG1-CE2 4.27Å; V1342-F1346 WeakPolarHBondContact O-CD2 3.35Å; V1342-F1346 PolarHBondContact O-N 3.17Å; V1342-F1346 VanDerWaalsContact O-N 3.1Å; Y1343-F1346 PolarHBondContact O-N 3.05Å; F1346-N1348 VanDerWaalsContact C-N 3.29Å; F1346-N1348 PolarHBondContact O-N 3.17Å; F1346-V1349 WeakPolarHBondContact O-CG1 3.38Å; F1346-L1361 HydrophobicContact CD2-CD2 4.35Å; F1346-L1361 HydrophobicContact CE2-CD2 3.42Å; F1346-L1361 VanDerWaalsContact CE2-CD2 3.46Å; F1346-L1361 HydrophobicContact CZ-CD2 3.96Å; F1346-F1374 HydrophobicContact CE2-CD2 4.46Å; F1346-F1374 AromaticContact CE2-CE2 3.48Å; F1346-F1374 HydrophobicContact CE2-CE2 3.48Å; F1346-F1374 VanDerWaalsContact CE2-CE2 3.45Å; F1346-F1374 HydrophobicContact CE2-CZ 4.11Å; F1346-F1374 AromaticContact CZ-CE2 3.61Å; F1346-F1374 HydrophobicContact CZ-CE2 3.61Å; F1346-F1374 AromaticContact CZ-CZ 3.83Å; F1346-F1374 HydrophobicContact CZ-CZ 3.83Å; F1346-Y1377 AromaticContact CD2-CE1 3.97Å; F1346-Y1377 HydrophobicContact CD2-CE1 4.05Å; F1346-Y1377 HydrophobicContact CE2-CE1 4.37Å; F1346-Y1377 HydrophobicContact CG-CE1 4.39Å; F1346-L1378 HydrophobicContact CD1-CD1 4.42Å; F1346-L1378 HydrophobicContact CE1-CD1 3.62Å; F1346-L1378 HydrophobicContact CZ-CD1 4Å; F1346-F1393 AromaticContact CD1-CD1 3.89Å; F1346-F1393 HydrophobicContact CD1-CD1 3.89Å; F1346-F1393 AromaticContact CD1-CE1 3.68Å; F1346-F1393 HydrophobicContact CD1-CE1 3.68Å; F1346-F1393 HydrophobicContact CD1-CZ 4.46Å; F1346-F1393 AromaticContact CE1-CD1 3.78Å; F1346-F1393 HydrophobicContact CE1-CD1 3.78Å; F1346-F1393 HydrophobicContact CE1-CE1 4.06Å; F1346-F1393 HydrophobicContact CE1-CG 4.44Å; F1346-V1396 HydrophobicContact CZ-CG1 4.34Å |
| 1347 | N | 85.8 | Confident | 87.7 | Confident | 104.2 Ų | 104.2 | 65.3 Ų | 65.3 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71 | -23.9 | 176.1 | -69.6 | -10.6 | 0 | 0 | 0 | 113 | Y1343 F1344 L1345 R1382 | Y1343-N1347 WeakPolarHBondContact O-CB 3.41Å; Y1343-N1347 PolarHBondContact O-N 3.29Å; Y1343-N1347 PolarHBondContact O-ND2 3.15Å; Y1343-N1347 PolarHBondContact O-OD1 3.3Å; F1344-N1347 PolarHBondContact O-N 3.25Å; L1345-N1347 VanDerWaalsContact C-N 3.33Å; L1345-N1347 PolarHBondContact O-N 3.04Å; N1347-R1382 VanDerWaalsContact OD1-CZ 3.26Å; N1347-R1382 PolarHBondContact OD1-NH1 3.34Å; N1347-R1382 PolarHBondContact OD1-NH2 3.34Å; N1347-R1382 VanDerWaalsContact OD1-NH2 3.1Å |
| 1348 | N | 88.7 | Confident | 88.2 | Confident | 79.2 Ų | 79.2 | 61.9 Ų | 61.9 | 42% | 0.424 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -111.1 | 5 | -175.9 | -70.1 | -85.5 | 0 | 0 | 0 | 113.9 | F1344 L1345 F1346 N1353 | F1344-N1348 WeakPolarHBondContact CD2-ND2 3.43Å; F1344-N1348 VanDerWaalsContact CE2-ND2 3.3Å; F1344-N1348 WeakPolarHBondContact CE2-ND2 3.32Å; F1344-N1348 WeakPolarHBondContact O-CB 3.38Å; F1344-N1348 PolarHBondContact O-N 3.05Å; F1344-N1348 VanDerWaalsContact O-N 3.15Å; F1344-N1348 PolarHBondContact O-ND2 3.12Å; L1345-N1348 CarbonylContact O-C 3.53Å; L1345-N1348 PolarHBondContact O-N 3.24Å; F1346-N1348 VanDerWaalsContact C-N 3.29Å; F1346-N1348 PolarHBondContact O-N 3.17Å; N1348-N1353 PolarHBondContact O-ND2 3.06Å |
| 1349 | V | 91 | Very high | 88.5 | Confident | 18.2 Ų | 18.2 | 62.4 Ų | 62.4 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -79.5 | 142.1 | 178.8 | 74.1 | 0 | 0 | 0 | 0 | 110.9 | L1345 F1346 N1353 A1354 K1357 L1392 V1396 | L1345-V1349 WeakPolarHBondContact O-CB 3.4Å; L1345-V1349 PolarHBondContact O-N 3.12Å; F1346-V1349 WeakPolarHBondContact O-CG1 3.38Å; V1349-N1353 WeakPolarHBondContact CA-OD1 3.34Å; V1349-A1354 HydrophobicContact CG2-CB 4.22Å; V1349-K1357 HydrophobicContact CG2-CB 4.14Å; V1349-L1392 HydrophobicContact CG1-CD2 3.91Å; V1349-L1392 HydrophobicContact CG1-CG 4.22Å; V1349-L1392 HydrophobicContact CG2-CD1 4.38Å; V1349-L1392 WeakPolarHBondContact O-CD2 3.28Å; V1349-V1396 HydrophobicContact CG2-CG2 3.73Å | ||
| 1350 | S | 90.7 | Very high | 88.8 | Confident | 44.8 Ų | 44.8 | 64 Ų | 64 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | trans | -147.8 | 161.6 | -179.3 | 68.7 | 0 | 0 | 0 | 0 | 109.4 | V1352 N1353 A1354 L1392 | S1350-V1352 PolarHBondContact O-N 3.37Å; S1350-V1352 VanDerWaalsContact O-N 3.07Å; S1350-V1352 WeakPolarHBondContact OG-CG2 3.33Å; S1350-N1353 WeakPolarHBondContact CA-OD1 3.36Å; S1350-N1353 PolarHBondContact N-OD1 3.27Å; S1350-N1353 PolarHBondContact O-N 2.99Å; S1350-N1353 VanDerWaalsContact O-N 3.12Å; S1350-N1353 PolarHBondContact O-OD1 3.11Å; S1350-N1353 VanDerWaalsContact O-OD1 3.12Å; S1350-N1353 PolarHBondContact OG-N 3.33Å; S1350-N1353 PolarHBondContact OG-ND2 3.23Å; S1350-N1353 PolarHBondContact OG-OD1 3.25Å; S1350-N1353 VanDerWaalsContact OG-OD1 3.08Å; S1350-A1354 WeakPolarHBondContact O-CA 3.23Å; S1350-A1354 VanDerWaalsContact O-CB 3.29Å; S1350-A1354 WeakPolarHBondContact O-CB 3.39Å; S1350-A1354 PolarHBondContact O-N 2.9Å; S1350-L1392 VanDerWaalsContact C-CD1 3.48Å | ||
| 1351 | K | 88.1 | Confident | 88.9 | Confident | 144.2 Ų | 144.2 | 59.9 Ų | 59.9 | 63% | 0.627 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.2 | -176.2 | -67.1 | -174.7 | 178.8 | -175.3 | 0 | 113.8 | D1391 L1392 | K1351-D1391 IonicContact NZ-OD2 3.6Å; K1351-D1391 PolarHBondContact NZ-OD2 3.45Å; K1351-L1392 HydrophobicContact CG-CD1 4.09Å |
| 1352 | V | 89.3 | Confident | 89 | Confident | 141.2 Ų | 141.2 | 55.4 Ų | 55.4 | 86% | 0.856 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -39.6 | 179.7 | -103.9 | 0 | 0 | 0 | 0 | 113.1 | S1350 | S1350-V1352 PolarHBondContact O-N 3.37Å; S1350-V1352 VanDerWaalsContact O-N 3.07Å; S1350-V1352 WeakPolarHBondContact OG-CG2 3.33Å |
| 1353 | N | 90.7 | Very high | 88.9 | Confident | 40.8 Ų | 40.8 | 59.7 Ų | 59.7 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -2.6 | -179 | 72.4 | 13.8 | 0 | 0 | 0 | 113.1 | N1348 V1349 S1350 K1355 E1356 K1357 | N1348-N1353 PolarHBondContact O-ND2 3.06Å; V1349-N1353 WeakPolarHBondContact CA-OD1 3.34Å; S1350-N1353 WeakPolarHBondContact CA-OD1 3.36Å; S1350-N1353 PolarHBondContact N-OD1 3.27Å; S1350-N1353 PolarHBondContact O-N 2.99Å; S1350-N1353 VanDerWaalsContact O-N 3.12Å; S1350-N1353 PolarHBondContact O-OD1 3.11Å; S1350-N1353 VanDerWaalsContact O-OD1 3.12Å; S1350-N1353 PolarHBondContact OG-N 3.33Å; S1350-N1353 PolarHBondContact OG-ND2 3.23Å; S1350-N1353 PolarHBondContact OG-OD1 3.25Å; S1350-N1353 VanDerWaalsContact OG-OD1 3.08Å; N1353-K1355 VanDerWaalsContact C-N 3.28Å; N1353-K1355 PolarHBondContact O-N 3.2Å; N1353-K1355 VanDerWaalsContact O-N 3.16Å; N1353-E1356 WeakPolarHBondContact O-CB 3.28Å; N1353-E1356 PolarHBondContact O-N 3.24Å; N1353-E1356 VanDerWaalsContact O-N 3.11Å; N1353-K1357 HydrophobicContact CB-CG 4.36Å; N1353-K1357 PolarHBondContact O-N 3.37Å |
| 1354 | A | 90.2 | Very high | 88.7 | Confident | 0.6 Ų | 0.6 | 58.2 Ų | 58.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.2 | -42 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1349 S1350 E1356 K1357 S1358 L1392 L1395 V1396 | V1349-A1354 HydrophobicContact CG2-CB 4.22Å; S1350-A1354 WeakPolarHBondContact O-CA 3.23Å; S1350-A1354 VanDerWaalsContact O-CB 3.29Å; S1350-A1354 WeakPolarHBondContact O-CB 3.39Å; S1350-A1354 PolarHBondContact O-N 2.9Å; A1354-E1356 PolarHBondContact O-N 3.32Å; A1354-K1357 PolarHBondContact O-N 3.16Å; A1354-S1358 WeakPolarHBondContact O-CB 3.38Å; A1354-S1358 PolarHBondContact O-N 3.03Å; A1354-S1358 PolarHBondContact O-OG 3.13Å; A1354-L1392 HydrophobicContact CB-CD1 4.04Å; A1354-L1395 HydrophobicContact CB-CD2 3.4Å; A1354-V1396 HydrophobicContact CB-CG2 4.26Å |
| 1355 | K | 90.7 | Very high | 88.4 | Confident | 125.8 Ų | 125.8 | 53.6 Ų | 53.6 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.7 | -172.5 | 169.4 | -175.7 | 170.4 | 0 | 112.8 | N1353 S1358 N1359 | N1353-K1355 VanDerWaalsContact C-N 3.28Å; N1353-K1355 PolarHBondContact O-N 3.2Å; N1353-K1355 VanDerWaalsContact O-N 3.16Å; K1355-S1358 WeakPolarHBondContact CA-OG 3.28Å; K1355-S1358 PolarHBondContact O-OG 3.18Å; K1355-S1358 VanDerWaalsContact O-OG 3.1Å; K1355-N1359 WeakPolarHBondContact O-CB 3.47Å; K1355-N1359 PolarHBondContact O-N 3.32Å; K1355-N1359 VanDerWaalsContact O-N 3.15Å; K1355-N1359 PolarHBondContact O-ND2 3.23Å |
| 1356 | E | 90.6 | Very high | 87.7 | Confident | 128.2 Ų | 128.2 | 57.5 Ų | 57.5 | 60% | 0.599 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.7 | -50 | 177.3 | -172.7 | -165.2 | 146.8 | 0 | 0 | 110.6 | N1353 A1354 S1358 N1359 E1360 | N1353-E1356 WeakPolarHBondContact O-CB 3.28Å; N1353-E1356 PolarHBondContact O-N 3.24Å; N1353-E1356 VanDerWaalsContact O-N 3.11Å; A1354-E1356 PolarHBondContact O-N 3.32Å; E1356-S1358 VanDerWaalsContact C-N 3.31Å; E1356-S1358 PolarHBondContact O-N 3.15Å; E1356-N1359 WeakPolarHBondContact O-CB 3.37Å; E1356-N1359 PolarHBondContact O-N 3.13Å; E1356-N1359 VanDerWaalsContact O-N 3.08Å; E1356-E1360 PolarHBondContact O-N 3.23Å; E1356-E1360 VanDerWaalsContact O-N 3.07Å |
| 1357 | K | 89.2 | Confident | 87.3 | Confident | 36.8 Ų | 36.8 | 61.6 Ų | 61.6 | 16% | 0.16 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -32.2 | -179.6 | -66 | -64.5 | 157.3 | -159.8 | 0 | 113 | L1345 V1349 N1353 A1354 N1359 E1360 L1361 | L1345-K1357 HydrophobicContact CD2-CB 4.29Å; L1345-K1357 HydrophobicContact CD2-CD 3.36Å; L1345-K1357 VanDerWaalsContact CD2-CD 3.4Å; L1345-K1357 HydrophobicContact CD2-CG 4.44Å; L1345-K1357 WeakPolarHBondContact CD2-O 3.31Å; L1345-K1357 HydrophobicContact CG-CD 4.27Å; V1349-K1357 HydrophobicContact CG2-CB 4.14Å; N1353-K1357 HydrophobicContact CB-CG 4.36Å; N1353-K1357 PolarHBondContact O-N 3.37Å; A1354-K1357 PolarHBondContact O-N 3.16Å; K1357-N1359 VanDerWaalsContact C-N 3.35Å; K1357-E1360 WeakPolarHBondContact CD-OE2 3.43Å; K1357-E1360 IonicContact NZ-OE2 3.2Å; K1357-E1360 PolarHBondContact NZ-OE2 3.23Å; K1357-E1360 VanDerWaalsContact NZ-OE2 3.13Å; K1357-E1360 WeakPolarHBondContact O-CB 3.42Å; K1357-E1360 PolarHBondContact O-N 3.02Å; K1357-L1361 VanDerWaalsContact O-CB 3.24Å; K1357-L1361 WeakPolarHBondContact O-CB 3.32Å; K1357-L1361 PolarHBondContact O-N 3.21Å |
| 1358 | S | 90.5 | Very high | 86.8 | Confident | 0.4 Ų | 0.4 | 61.6 Ų | 61.6 | 0% | 0.003 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.5 | -34.2 | 172.7 | 19.6 | 0 | 0 | 0 | 0 | 112.3 | A1354 K1355 E1356 L1361 A1362 V1396 H1399 | A1354-S1358 WeakPolarHBondContact O-CB 3.38Å; A1354-S1358 PolarHBondContact O-N 3.03Å; A1354-S1358 PolarHBondContact O-OG 3.13Å; K1355-S1358 WeakPolarHBondContact CA-OG 3.28Å; K1355-S1358 PolarHBondContact O-OG 3.18Å; K1355-S1358 VanDerWaalsContact O-OG 3.1Å; E1356-S1358 VanDerWaalsContact C-N 3.31Å; E1356-S1358 PolarHBondContact O-N 3.15Å; S1358-L1361 PolarHBondContact O-N 3.22Å; S1358-A1362 VanDerWaalsContact O-CB 3.26Å; S1358-A1362 WeakPolarHBondContact O-CB 3.28Å; S1358-A1362 PolarHBondContact O-N 3.25Å; S1358-V1396 WeakPolarHBondContact OG-CA 3.33Å; S1358-H1399 VanDerWaalsContact CB-CB 3.45Å; S1358-H1399 WeakPolarHBondContact OG-CB 3.27Å |
| 1359 | N | 88.6 | Confident | 86.3 | Confident | 51.4 Ų | 51.4 | 67.3 Ų | 67.3 | 28% | 0.275 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 172.7 | -75.5 | -49.9 | 0 | 0 | 0 | 110.9 | K1355 E1356 K1357 L1361 A1362 T1363 R1403 | K1355-N1359 WeakPolarHBondContact O-CB 3.47Å; K1355-N1359 PolarHBondContact O-N 3.32Å; K1355-N1359 VanDerWaalsContact O-N 3.15Å; K1355-N1359 PolarHBondContact O-ND2 3.23Å; E1356-N1359 WeakPolarHBondContact O-CB 3.37Å; E1356-N1359 PolarHBondContact O-N 3.13Å; E1356-N1359 VanDerWaalsContact O-N 3.08Å; K1357-N1359 VanDerWaalsContact C-N 3.35Å; N1359-L1361 VanDerWaalsContact C-N 3.33Å; N1359-L1361 PolarHBondContact O-N 3.36Å; N1359-A1362 PolarHBondContact O-N 3.08Å; N1359-T1363 WeakPolarHBondContact O-CG2 3.38Å; N1359-T1363 PolarHBondContact O-N 3.19Å; N1359-T1363 PolarHBondContact O-OG1 3.48Å; N1359-R1403 PolarHBondContact OD1-NE 3.44Å; N1359-R1403 VanDerWaalsContact OD1-NE 3.11Å; N1359-R1403 PolarHBondContact OD1-NH2 3.09Å |
| 1360 | E | 88.9 | Confident | 85.9 | Confident | 46.2 Ų | 46.2 | 67.1 Ų | 67.1 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.4 | -167.4 | -173.1 | 161.1 | 0 | 0 | 111.1 | R1341 L1345 E1356 K1357 A1362 T1363 L1364 | R1341-E1360 IonicContact CZ-OE1 3.19Å; R1341-E1360 IonicContact NE-OE1 3.28Å; R1341-E1360 PolarHBondContact NE-OE1 3.05Å; R1341-E1360 IonicContact NH2-OE1 3.12Å; R1341-E1360 PolarHBondContact NH2-OE1 3.13Å; R1341-E1360 IonicContact NH2-OE2 3.62Å; L1345-E1360 HydrophobicContact CD1-CG 4.44Å; L1345-E1360 HydrophobicContact CD2-CB 4.14Å; L1345-E1360 HydrophobicContact CD2-CG 4.16Å; L1345-E1360 WeakPolarHBondContact CD2-OE2 3.25Å; E1356-E1360 PolarHBondContact O-N 3.23Å; E1356-E1360 VanDerWaalsContact O-N 3.07Å; K1357-E1360 WeakPolarHBondContact CD-OE2 3.43Å; K1357-E1360 IonicContact NZ-OE2 3.2Å; K1357-E1360 PolarHBondContact NZ-OE2 3.23Å; K1357-E1360 VanDerWaalsContact NZ-OE2 3.13Å; K1357-E1360 WeakPolarHBondContact O-CB 3.42Å; K1357-E1360 PolarHBondContact O-N 3.02Å; E1360-A1362 VanDerWaalsContact C-N 3.34Å; E1360-A1362 PolarHBondContact O-N 3.11Å; E1360-T1363 WeakPolarHBondContact O-CB 3.33Å; E1360-T1363 PolarHBondContact O-N 3.09Å; E1360-T1363 VanDerWaalsContact O-N 3.14Å; E1360-T1363 PolarHBondContact O-OG1 3.3Å; E1360-L1364 WeakPolarHBondContact O-CG 3.23Å; E1360-L1364 PolarHBondContact O-N 3.17Å; E1360-L1364 VanDerWaalsContact O-N 3.1Å |
| 1361 | L | 87.8 | Confident | 85.8 | Confident | 3.2 Ų | 3.2 | 65.2 Ų | 65.2 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.8 | -176.4 | 53.7 | 0 | 0 | 0 | 112.6 | V1342 L1345 F1346 K1357 S1358 N1359 T1363 L1364 L1365 F1374 V1396 I1400 | V1342-L1361 HydrophobicContact CB-CD1 4.49Å; V1342-L1361 HydrophobicContact CG1-CD1 4.22Å; V1342-L1361 HydrophobicContact CG2-CD1 3.87Å; L1345-L1361 HydrophobicContact CD1-CB 4.04Å; L1345-L1361 HydrophobicContact CD1-CD1 4.16Å; L1345-L1361 HydrophobicContact CD2-CB 3.79Å; F1346-L1361 HydrophobicContact CD2-CD2 4.35Å; F1346-L1361 HydrophobicContact CE2-CD2 3.42Å; F1346-L1361 VanDerWaalsContact CE2-CD2 3.46Å; F1346-L1361 HydrophobicContact CZ-CD2 3.96Å; K1357-L1361 VanDerWaalsContact O-CB 3.24Å; K1357-L1361 WeakPolarHBondContact O-CB 3.32Å; K1357-L1361 PolarHBondContact O-N 3.21Å; S1358-L1361 PolarHBondContact O-N 3.22Å; N1359-L1361 VanDerWaalsContact C-N 3.33Å; N1359-L1361 PolarHBondContact O-N 3.36Å; L1361-T1363 VanDerWaalsContact C-N 3.27Å; L1361-T1363 PolarHBondContact O-N 3.17Å; L1361-L1364 PolarHBondContact O-N 3.1Å; L1361-L1364 VanDerWaalsContact O-N 3.16Å; L1361-L1365 HydrophobicContact CD1-CD1 3.97Å; L1361-L1365 HydrophobicContact CD1-CG 4.02Å; L1361-L1365 HydrophobicContact CG-CD1 3.88Å; L1361-L1365 HydrophobicContact CG-CG 4.33Å; L1361-L1365 WeakPolarHBondContact O-CB 3.34Å; L1361-L1365 VanDerWaalsContact O-CG 3.29Å; L1361-L1365 WeakPolarHBondContact O-CG 3.35Å; L1361-L1365 PolarHBondContact O-N 3.08Å; L1361-F1374 HydrophobicContact CD2-CE2 4.29Å; L1361-F1374 HydrophobicContact CD2-CZ 4.36Å; L1361-V1396 HydrophobicContact CD2-CG1 4.31Å; L1361-I1400 HydrophobicContact CB-CD1 4.45Å; L1361-I1400 HydrophobicContact CD2-CD1 3.49Å; L1361-I1400 VanDerWaalsContact CD2-CD1 3.45Å; L1361-I1400 HydrophobicContact CD2-CG1 4.43Å; L1361-I1400 HydrophobicContact CG-CD1 3.93Å; L1361-I1400 HydrophobicContact CG-CG1 4.44Å |
| 1362 | A | 87.3 | Confident | 85.7 | Confident | 4.2 Ų | 4.2 | 60.7 Ų | 60.7 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -32.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1358 N1359 E1360 L1365 S1366 I1400 R1403 V1404 | S1358-A1362 VanDerWaalsContact O-CB 3.26Å; S1358-A1362 WeakPolarHBondContact O-CB 3.28Å; S1358-A1362 PolarHBondContact O-N 3.25Å; N1359-A1362 PolarHBondContact O-N 3.08Å; E1360-A1362 VanDerWaalsContact C-N 3.34Å; E1360-A1362 PolarHBondContact O-N 3.11Å; A1362-L1365 CarbonylContact O-C 3.55Å; A1362-L1365 PolarHBondContact O-N 3.01Å; A1362-S1366 PolarHBondContact O-N 3.2Å; A1362-S1366 VanDerWaalsContact O-N 3.16Å; A1362-S1366 PolarHBondContact O-OG 3.05Å; A1362-I1400 HydrophobicContact CB-CG2 4.48Å; A1362-R1403 HydrophobicContact CB-CB 3.9Å; A1362-R1403 HydrophobicContact CB-CG 4.21Å; A1362-V1404 HydrophobicContact CB-CG2 4.4Å |
| 1363 | T | 85.5 | Confident | 85.7 | Confident | 92 Ų | 92 | 54.7 Ų | 54.7 | 56% | 0.564 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.4 | -37.1 | 173.5 | 43.5 | 0 | 0 | 0 | 0 | 112.2 | N1359 E1360 L1361 S1366 | N1359-T1363 WeakPolarHBondContact O-CG2 3.38Å; N1359-T1363 PolarHBondContact O-N 3.19Å; N1359-T1363 PolarHBondContact O-OG1 3.48Å; E1360-T1363 WeakPolarHBondContact O-CB 3.33Å; E1360-T1363 PolarHBondContact O-N 3.09Å; E1360-T1363 VanDerWaalsContact O-N 3.14Å; E1360-T1363 PolarHBondContact O-OG1 3.3Å; L1361-T1363 VanDerWaalsContact C-N 3.27Å; L1361-T1363 PolarHBondContact O-N 3.17Å; T1363-S1366 WeakPolarHBondContact O-CB 3.27Å; T1363-S1366 PolarHBondContact O-N 3.22Å; T1363-S1366 PolarHBondContact O-OG 3.14Å; T1363-S1366 VanDerWaalsContact O-OG 3.13Å |
| 1364 | L | 83.6 | Confident | 85.7 | Confident | 49.4 Ų | 49.4 | 52.8 Ų | 52.8 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 173.9 | -63.4 | 172.3 | 0 | 0 | 0 | 111.7 | R1341 V1342 L1345 E1360 L1361 S1366 L1370 | R1341-L1364 HydrophobicContact CB-CD1 4.17Å; R1341-L1364 HydrophobicContact CG-CD1 3.62Å; V1342-L1364 HydrophobicContact CG2-CD1 4.42Å; L1345-L1364 HydrophobicContact CD1-CD1 3.75Å; E1360-L1364 WeakPolarHBondContact O-CG 3.23Å; E1360-L1364 PolarHBondContact O-N 3.17Å; E1360-L1364 VanDerWaalsContact O-N 3.1Å; L1361-L1364 PolarHBondContact O-N 3.1Å; L1361-L1364 VanDerWaalsContact O-N 3.16Å; L1364-S1366 PolarHBondContact O-N 3.17Å; L1364-S1366 VanDerWaalsContact O-N 3.14Å; L1364-L1370 VanDerWaalsContact O-CD1 3.26Å; L1364-L1370 WeakPolarHBondContact O-CD1 3.41Å |
| 1365 | L | 83 | Confident | 85.7 | Confident | 2.2 Ų | 2.2 | 52.8 Ų | 52.8 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 14.5 | 178.3 | -62.4 | 176.8 | 0 | 0 | 0 | 113.9 | L1361 A1362 E1367 L1370 F1374 I1400 | L1361-L1365 HydrophobicContact CD1-CD1 3.97Å; L1361-L1365 HydrophobicContact CD1-CG 4.02Å; L1361-L1365 HydrophobicContact CG-CD1 3.88Å; L1361-L1365 HydrophobicContact CG-CG 4.33Å; L1361-L1365 WeakPolarHBondContact O-CB 3.34Å; L1361-L1365 VanDerWaalsContact O-CG 3.29Å; L1361-L1365 WeakPolarHBondContact O-CG 3.35Å; L1361-L1365 PolarHBondContact O-N 3.08Å; A1362-L1365 CarbonylContact O-C 3.55Å; A1362-L1365 PolarHBondContact O-N 3.01Å; L1365-E1367 VanDerWaalsContact C-N 3.3Å; L1365-E1367 PolarHBondContact O-N 3.26Å; L1365-L1370 HydrophobicContact CD2-CB 4.1Å; L1365-F1374 HydrophobicContact CD1-CB 4.47Å; L1365-F1374 HydrophobicContact CD1-CD1 3.63Å; L1365-F1374 HydrophobicContact CD1-CD2 4.31Å; L1365-F1374 HydrophobicContact CD1-CE1 3.89Å; L1365-F1374 HydrophobicContact CD1-CE2 4.38Å; L1365-F1374 HydrophobicContact CD1-CG 3.86Å; L1365-F1374 HydrophobicContact CD1-CZ 4.35Å; L1365-F1374 HydrophobicContact CD2-CB 3.69Å; L1365-F1374 HydrophobicContact CD2-CD1 4.35Å; L1365-F1374 HydrophobicContact CD2-CD2 4.42Å; L1365-F1374 HydrophobicContact CD2-CG 3.89Å; L1365-I1400 HydrophobicContact CD1-CD1 4.45Å; L1365-I1400 HydrophobicContact CD1-CG2 4.24Å |
| 1366 | S | 76.1 | Confident | 85.7 | Confident | 85.2 Ų | 85.2 | 47.9 Ų | 47.9 | 60% | 0.596 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | A1362 T1363 L1364 D1368 | A1362-S1366 PolarHBondContact O-N 3.2Å; A1362-S1366 VanDerWaalsContact O-N 3.16Å; A1362-S1366 PolarHBondContact O-OG 3.05Å; T1363-S1366 WeakPolarHBondContact O-CB 3.27Å; T1363-S1366 PolarHBondContact O-N 3.22Å; T1363-S1366 PolarHBondContact O-OG 3.14Å; T1363-S1366 VanDerWaalsContact O-OG 3.13Å; L1364-S1366 PolarHBondContact O-N 3.17Å; L1364-S1366 VanDerWaalsContact O-N 3.14Å; S1366-D1368 PolarHBondContact O-N 2.9Å |
| 1367 | E | 76.7 | Confident | 85.7 | Confident | 95.8 Ų | 95.8 | 42.1 Ų | 42.1 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -83.1 | 112.4 | 172.1 | -176.3 | 104.3 | -163.5 | 0 | 0 | 110 | L1365 R1369 L1370 | L1365-E1367 VanDerWaalsContact C-N 3.3Å; L1365-E1367 PolarHBondContact O-N 3.26Å; E1367-R1369 HydrophobicContact CG-CB 4.18Å; E1367-R1369 HydrophobicContact CG-CG 4.3Å; E1367-R1369 PolarHBondContact O-N 3.05Å; E1367-R1369 WeakPolarHBondContact OE1-CD 3.36Å; E1367-R1369 VanDerWaalsContact OE1-CG 3.24Å; E1367-R1369 WeakPolarHBondContact OE1-CG 2.84Å; E1367-R1369 IonicContact OE1-CZ 3.53Å; E1367-R1369 IonicContact OE1-NE 2.85Å; E1367-R1369 PolarHBondContact OE1-NE 3.22Å; E1367-R1369 IonicContact OE1-NH2 3.3Å; E1367-R1369 PolarHBondContact OE1-NH2 3.43Å; E1367-L1370 HydrophobicContact CB-CD1 4.05Å; E1367-L1370 HydrophobicContact CB-CG 4.08Å; E1367-L1370 HydrophobicContact CG-CD1 4.46Å; E1367-L1370 HydrophobicContact CG-CG 4.28Å; E1367-L1370 WeakPolarHBondContact O-CB 3.41Å; E1367-L1370 PolarHBondContact O-N 3.23Å |
| 1368 | D | 76 | Confident | 85.9 | Confident | 103 Ų | 103 | 40.4 Ų | 40.4 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.3 | -175.6 | -86.4 | -38 | 0 | 0 | 0 | 113.5 | S1366 L1370 I1371 P1372 N1406 | S1366-D1368 PolarHBondContact O-N 2.9Å; D1368-L1370 VanDerWaalsContact C-N 3.27Å; D1368-L1370 PolarHBondContact O-N 3.06Å; D1368-I1371 PolarHBondContact O-N 3.21Å; D1368-I1371 VanDerWaalsContact OD1-CD1 3.25Å; D1368-I1371 WeakPolarHBondContact OD1-CD1 3.43Å; D1368-P1372 WeakPolarHBondContact O-CD 3.3Å; D1368-N1406 PolarHBondContact OD1-ND2 2.6Å |
| 1369 | R | 78.5 | Confident | 86 | Confident | 199 Ų | 199 | 40.4 Ų | 40.4 | 75% | 0.751 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.3 | 176.5 | -78.5 | -178.7 | -137.7 | -160.2 | -3.3 | 113.4 | D1332 E1367 P1372 | D1332-R1369 IonicContact OD2-NH2 3.04Å; E1367-R1369 HydrophobicContact CG-CB 4.18Å; E1367-R1369 HydrophobicContact CG-CG 4.3Å; E1367-R1369 PolarHBondContact O-N 3.05Å; E1367-R1369 WeakPolarHBondContact OE1-CD 3.36Å; E1367-R1369 VanDerWaalsContact OE1-CG 3.24Å; E1367-R1369 WeakPolarHBondContact OE1-CG 2.84Å; E1367-R1369 IonicContact OE1-CZ 3.53Å; E1367-R1369 IonicContact OE1-NE 2.85Å; E1367-R1369 PolarHBondContact OE1-NE 3.22Å; E1367-R1369 IonicContact OE1-NH2 3.3Å; E1367-R1369 PolarHBondContact OE1-NH2 3.43Å; R1369-P1372 WeakPolarHBondContact O-CD 3.28Å |
| 1370 | L | 82.2 | Confident | 86.1 | Confident | 15.4 Ų | 15.4 | 39.5 Ų | 39.5 | 8% | 0.081 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -81.9 | -21.6 | -178.6 | -64.6 | 177.3 | 0 | 0 | 0 | 113 | P1334 I1338 L1364 L1365 E1367 D1368 W1373 F1374 | P1334-L1370 HydrophobicContact CB-CD2 3.39Å; P1334-L1370 HydrophobicContact CB-CG 4.35Å; P1334-L1370 HydrophobicContact CG-CD2 3.92Å; P1334-L1370 VanDerWaalsContact CG-CD2 3.47Å; I1338-L1370 HydrophobicContact CD1-CD1 4.39Å; I1338-L1370 HydrophobicContact CG2-CD1 4.09Å; I1338-L1370 HydrophobicContact CG2-CD2 3.99Å; L1364-L1370 VanDerWaalsContact O-CD1 3.26Å; L1364-L1370 WeakPolarHBondContact O-CD1 3.41Å; L1365-L1370 HydrophobicContact CD2-CB 4.1Å; E1367-L1370 HydrophobicContact CB-CD1 4.05Å; E1367-L1370 HydrophobicContact CB-CG 4.08Å; E1367-L1370 HydrophobicContact CG-CD1 4.46Å; E1367-L1370 HydrophobicContact CG-CG 4.28Å; E1367-L1370 WeakPolarHBondContact O-CB 3.41Å; E1367-L1370 PolarHBondContact O-N 3.23Å; D1368-L1370 VanDerWaalsContact C-N 3.27Å; D1368-L1370 PolarHBondContact O-N 3.06Å; L1370-W1373 HydrophobicContact CD2-CE3 4.08Å; L1370-W1373 PolarHBondContact O-N 3.28Å; L1370-F1374 VanDerWaalsContact O-CB 3.3Å; L1370-F1374 WeakPolarHBondContact O-CB 3.43Å; L1370-F1374 PolarHBondContact O-N 3.07Å |
| 1371 | I | 87.5 | Confident | 86 | Confident | 3.8 Ų | 3.8 | 42.9 Ų | 42.9 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | -174.5 | -57.5 | 175.4 | 0 | 0 | 0 | 112.4 | D1368 F1374 A1375 V1404 N1406 V1407 K1410 | D1368-I1371 PolarHBondContact O-N 3.21Å; D1368-I1371 VanDerWaalsContact OD1-CD1 3.25Å; D1368-I1371 WeakPolarHBondContact OD1-CD1 3.43Å; I1371-F1374 PolarHBondContact O-N 3.25Å; I1371-A1375 WeakPolarHBondContact O-CB 3.4Å; I1371-A1375 PolarHBondContact O-N 3.13Å; I1371-V1404 HydrophobicContact CD1-CG1 3.75Å; I1371-N1406 HydrophobicContact CD1-CB 4.14Å; I1371-V1407 HydrophobicContact CD1-CG2 4.23Å; I1371-V1407 HydrophobicContact CG1-CG2 4.26Å; I1371-V1407 HydrophobicContact CG2-CB 4.44Å; I1371-V1407 HydrophobicContact CG2-CG2 4.04Å; I1371-K1410 HydrophobicContact CG2-CB 3.9Å; I1371-K1410 HydrophobicContact CG2-CG 3.9Å |
| 1372 | P | 87 | Confident | 86.2 | Confident | 49.2 Ų | 49.2 | 44.2 Ų | 44.2 | 32% | 0.319 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.7 | -22.6 | 34.9 | 0 | 0 | 0 | 113.1 | P1331 D1368 R1369 A1375 F1376 | P1331-P1372 HydrophobicContact CB-CB 4.41Å; P1331-P1372 HydrophobicContact CG-CB 4.38Å; D1368-P1372 WeakPolarHBondContact O-CD 3.3Å; R1369-P1372 WeakPolarHBondContact O-CD 3.28Å; P1372-A1375 PolarHBondContact O-N 3.26Å; P1372-F1376 WeakPolarHBondContact O-CB 3.1Å; P1372-F1376 PolarHBondContact O-N 3.16Å |
| 1373 | W | 89 | Confident | 86.5 | Confident | 16 Ų | 16 | 44 Ų | 44 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 175.9 | 175.4 | 88.4 | 0 | 0 | 0 | 111.4 | P1331 P1334 V1342 Y1343 L1370 A1375 F1376 Y1377 | P1331-W1373 HydrophobicContact CB-CB 4.34Å; P1334-W1373 VanDerWaalsContact CD-CD2 3.47Å; P1334-W1373 VanDerWaalsContact CD-CE2 3.43Å; P1334-W1373 VanDerWaalsContact CD-CG 3.45Å; P1334-W1373 HydrophobicContact CG-CD2 3.88Å; P1334-W1373 HydrophobicContact CG-CE3 3.91Å; P1334-W1373 HydrophobicContact CG-CG 4.41Å; P1334-W1373 HydrophobicContact CG-CH2 4.29Å; P1334-W1373 HydrophobicContact CG-CZ2 4.23Å; P1334-W1373 HydrophobicContact CG-CZ3 4.12Å; V1342-W1373 HydrophobicContact CB-CH2 4.39Å; V1342-W1373 HydrophobicContact CB-CZ3 4.3Å; V1342-W1373 HydrophobicContact CG1-CH2 4.47Å; V1342-W1373 HydrophobicContact CG1-CZ3 4.25Å; V1342-W1373 HydrophobicContact CG2-CZ3 4.33Å; Y1343-W1373 HydrophobicContact CD1-CH2 4.47Å; Y1343-W1373 AromaticContact CE1-CH2 3.78Å; Y1343-W1373 HydrophobicContact CE1-CH2 3.78Å; Y1343-W1373 AromaticContact CE1-CZ2 3.92Å; Y1343-W1373 HydrophobicContact CE1-CZ2 3.99Å; Y1343-W1373 WeakPolarHBondContact OH-CZ2 3.37Å; L1370-W1373 HydrophobicContact CD2-CE3 4.08Å; L1370-W1373 PolarHBondContact O-N 3.28Å; W1373-A1375 VanDerWaalsContact C-N 3.35Å; W1373-A1375 PolarHBondContact O-N 3.15Å; W1373-F1376 PolarHBondContact O-N 3.2Å; W1373-Y1377 WeakPolarHBondContact O-CB 3.24Å; W1373-Y1377 PolarHBondContact O-N 3.16Å |
| 1374 | F | 91 | Very high | 86.8 | Confident | 0.4 Ų | 0.4 | 40.4 Ų | 40.4 | 0% | 0.002 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.7 | 169.8 | -111.4 | 0 | 0 | 0 | 112 | V1342 F1346 L1361 L1365 L1370 I1371 F1376 Y1377 L1378 L1397 I1400 V1407 V1411 | V1342-F1374 HydrophobicContact CG1-CD2 4.34Å; F1346-F1374 HydrophobicContact CE2-CD2 4.46Å; F1346-F1374 AromaticContact CE2-CE2 3.48Å; F1346-F1374 HydrophobicContact CE2-CE2 3.48Å; F1346-F1374 VanDerWaalsContact CE2-CE2 3.45Å; F1346-F1374 HydrophobicContact CE2-CZ 4.11Å; F1346-F1374 AromaticContact CZ-CE2 3.61Å; F1346-F1374 HydrophobicContact CZ-CE2 3.61Å; F1346-F1374 AromaticContact CZ-CZ 3.83Å; F1346-F1374 HydrophobicContact CZ-CZ 3.83Å; L1361-F1374 HydrophobicContact CD2-CE2 4.29Å; L1361-F1374 HydrophobicContact CD2-CZ 4.36Å; L1365-F1374 HydrophobicContact CD1-CB 4.47Å; L1365-F1374 HydrophobicContact CD1-CD1 3.63Å; L1365-F1374 HydrophobicContact CD1-CD2 4.31Å; L1365-F1374 HydrophobicContact CD1-CE1 3.89Å; L1365-F1374 HydrophobicContact CD1-CE2 4.38Å; L1365-F1374 HydrophobicContact CD1-CG 3.86Å; L1365-F1374 HydrophobicContact CD1-CZ 4.35Å; L1365-F1374 HydrophobicContact CD2-CB 3.69Å; L1365-F1374 HydrophobicContact CD2-CD1 4.35Å; L1365-F1374 HydrophobicContact CD2-CD2 4.42Å; L1365-F1374 HydrophobicContact CD2-CG 3.89Å; L1370-F1374 VanDerWaalsContact O-CB 3.3Å; L1370-F1374 WeakPolarHBondContact O-CB 3.43Å; L1370-F1374 PolarHBondContact O-N 3.07Å; I1371-F1374 PolarHBondContact O-N 3.25Å; F1374-F1376 VanDerWaalsContact C-N 3.35Å; F1374-F1376 PolarHBondContact O-N 3.47Å; F1374-Y1377 HydrophobicContact CD2-CD1 4.27Å; F1374-Y1377 HydrophobicContact CE2-CD1 4.44Å; F1374-Y1377 PolarHBondContact O-N 3.14Å; F1374-L1378 HydrophobicContact CE2-CB 4.4Å; F1374-L1378 HydrophobicContact CZ-CB 4.49Å; F1374-L1378 HydrophobicContact CZ-CD2 4.15Å; F1374-L1378 WeakPolarHBondContact O-CB 3.3Å; F1374-L1378 PolarHBondContact O-N 2.99Å; F1374-L1397 HydrophobicContact CE1-CD2 4.16Å; F1374-L1397 HydrophobicContact CZ-CD2 4.38Å; F1374-I1400 HydrophobicContact CE1-CD1 4.45Å; F1374-I1400 HydrophobicContact CZ-CD1 4.28Å; F1374-V1407 HydrophobicContact CD1-CG1 4.02Å; F1374-V1407 HydrophobicContact CE1-CG1 3.73Å; F1374-V1411 HydrophobicContact CE1-CG2 4.42Å |
| 1375 | A | 91 | Very high | 87 | Confident | 0.4 Ų | 0.4 | 43.3 Ų | 43.3 | 0% | 0.003 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1371 P1372 W1373 Y1377 L1378 V1379 K1410 V1411 E1414 | I1371-A1375 WeakPolarHBondContact O-CB 3.4Å; I1371-A1375 PolarHBondContact O-N 3.13Å; P1372-A1375 PolarHBondContact O-N 3.26Å; W1373-A1375 VanDerWaalsContact C-N 3.35Å; W1373-A1375 PolarHBondContact O-N 3.15Å; A1375-Y1377 PolarHBondContact O-N 3.43Å; A1375-L1378 PolarHBondContact O-N 3.04Å; A1375-V1379 WeakPolarHBondContact O-CB 3.34Å; A1375-V1379 VanDerWaalsContact O-CG2 3.31Å; A1375-V1379 WeakPolarHBondContact O-CG2 3.41Å; A1375-V1379 PolarHBondContact O-N 3.08Å; A1375-V1379 VanDerWaalsContact O-N 3.08Å; A1375-K1410 HydrophobicContact CB-CB 4.3Å; A1375-V1411 HydrophobicContact CB-CG2 3.96Å; A1375-E1414 HydrophobicContact CB-CB 4.18Å; A1375-E1414 HydrophobicContact CB-CG 3.92Å |
| 1376 | F | 90.6 | Very high | 87.3 | Confident | 22.8 Ų | 22.8 | 45 Ų | 45 | 10% | 0.1 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.2 | 175 | -97.6 | 0 | 0 | 0 | 112.1 | I1328 A1330 P1331 P1372 W1373 F1374 L1378 V1379 S1380 E1414 H1418 | I1328-F1376 HydrophobicContact CG2-CD2 4.26Å; I1328-F1376 HydrophobicContact CG2-CE2 3.72Å; A1330-F1376 HydrophobicContact CB-CD1 4.07Å; A1330-F1376 HydrophobicContact CB-CE1 3.45Å; A1330-F1376 VanDerWaalsContact CB-CE1 3.48Å; A1330-F1376 HydrophobicContact CB-CE2 4.37Å; A1330-F1376 HydrophobicContact CB-CZ 3.63Å; P1331-F1376 VanDerWaalsContact CD-CG 3.46Å; P1331-F1376 HydrophobicContact CG-CB 4.06Å; P1331-F1376 HydrophobicContact CG-CG 4.38Å; P1372-F1376 WeakPolarHBondContact O-CB 3.1Å; P1372-F1376 PolarHBondContact O-N 3.16Å; W1373-F1376 PolarHBondContact O-N 3.2Å; F1374-F1376 VanDerWaalsContact C-N 3.35Å; F1374-F1376 PolarHBondContact O-N 3.47Å; F1376-L1378 PolarHBondContact O-N 3.18Å; F1376-V1379 PolarHBondContact O-N 3.25Å; F1376-S1380 WeakPolarHBondContact CD2-OG 3.48Å; F1376-S1380 WeakPolarHBondContact CE2-OG 3.27Å; F1376-S1380 WeakPolarHBondContact CZ-OG 3.43Å; F1376-S1380 WeakPolarHBondContact O-CA 3.29Å; F1376-S1380 WeakPolarHBondContact O-CB 3.3Å; F1376-S1380 PolarHBondContact O-N 3.28Å; F1376-S1380 PolarHBondContact O-OG 2.88Å; F1376-E1414 WeakPolarHBondContact CD2-OE1 3.31Å; F1376-H1418 AromaticContact CD2-CE1 3.9Å; F1376-H1418 AromaticContact CE2-NE2 3.87Å |
| 1377 | Y | 90.5 | Very high | 87.9 | Confident | 8.2 Ų | 8.2 | 45.2 Ų | 45.2 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 178.2 | 158.1 | -106.7 | 0 | 0 | 0 | 112 | V1342 Y1343 F1346 W1373 F1374 A1375 V1379 K1381 R1382 | V1342-Y1377 HydrophobicContact CG1-CD1 4.18Å; V1342-Y1377 HydrophobicContact CG1-CE1 3.78Å; Y1343-Y1377 HydrophobicContact CD1-CD2 4.13Å; Y1343-Y1377 HydrophobicContact CD1-CE1 4.24Å; Y1343-Y1377 AromaticContact CD1-CE2 3.39Å; Y1343-Y1377 HydrophobicContact CD1-CE2 3.39Å; Y1343-Y1377 VanDerWaalsContact CD1-CE2 3.43Å; Y1343-Y1377 AromaticContact CD1-CZ 3.42Å; Y1343-Y1377 VanDerWaalsContact CD1-CZ 3.46Å; Y1343-Y1377 VanDerWaalsContact CD1-OH 3.26Å; Y1343-Y1377 WeakPolarHBondContact CD1-OH 3.37Å; Y1343-Y1377 AromaticContact CE1-CD2 3.48Å; Y1343-Y1377 HydrophobicContact CE1-CD2 3.48Å; Y1343-Y1377 VanDerWaalsContact CE1-CD2 3.47Å; Y1343-Y1377 HydrophobicContact CE1-CE1 4.39Å; Y1343-Y1377 AromaticContact CE1-CE2 3.19Å; Y1343-Y1377 HydrophobicContact CE1-CE2 3.19Å; Y1343-Y1377 HydrophobicContact CE1-CG 4.18Å; Y1343-Y1377 AromaticContact CE1-CZ 3.67Å; Y1343-Y1377 HydrophobicContact CG-CE2 4.48Å; F1346-Y1377 AromaticContact CD2-CE1 3.97Å; F1346-Y1377 HydrophobicContact CD2-CE1 4.05Å; F1346-Y1377 HydrophobicContact CE2-CE1 4.37Å; F1346-Y1377 HydrophobicContact CG-CE1 4.39Å; W1373-Y1377 WeakPolarHBondContact O-CB 3.24Å; W1373-Y1377 PolarHBondContact O-N 3.16Å; F1374-Y1377 HydrophobicContact CD2-CD1 4.27Å; F1374-Y1377 HydrophobicContact CE2-CD1 4.44Å; F1374-Y1377 PolarHBondContact O-N 3.14Å; A1375-Y1377 PolarHBondContact O-N 3.43Å; Y1377-V1379 PolarHBondContact O-N 3.13Å; Y1377-K1381 HydrophobicContact CD2-CB 4.02Å; Y1377-K1381 HydrophobicContact CD2-CG 4.18Å; Y1377-K1381 HydrophobicContact CE2-CB 4.28Å; Y1377-K1381 WeakPolarHBondContact O-CA 3.37Å; Y1377-K1381 VanDerWaalsContact O-CB 3.29Å; Y1377-K1381 WeakPolarHBondContact O-CB 3.46Å; Y1377-K1381 PolarHBondContact O-N 3.02Å; Y1377-R1382 HydrophobicContact CE1-CG 4.27Å; Y1377-R1382 HydrophobicContact CE2-CG 4.17Å; Y1377-R1382 VanDerWaalsContact CZ-NE 3.33Å; Y1377-R1382 VanDerWaalsContact OH-CZ 3.27Å; Y1377-R1382 PolarHBondContact OH-NE 3.21Å; Y1377-R1382 PolarHBondContact OH-NH2 3.16Å |
| 1378 | L | 92.6 | Very high | 88.5 | Confident | 1.2 Ų | 1.2 | 46.2 Ų | 46.2 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -61 | -46.8 | -179.8 | -176 | 65.3 | 0 | 0 | 0 | 111 | F1346 F1374 A1375 F1376 R1382 I1383 F1393 L1397 V1411 F1445 | F1346-L1378 HydrophobicContact CD1-CD1 4.42Å; F1346-L1378 HydrophobicContact CE1-CD1 3.62Å; F1346-L1378 HydrophobicContact CZ-CD1 4Å; F1374-L1378 HydrophobicContact CE2-CB 4.4Å; F1374-L1378 HydrophobicContact CZ-CB 4.49Å; F1374-L1378 HydrophobicContact CZ-CD2 4.15Å; F1374-L1378 WeakPolarHBondContact O-CB 3.3Å; F1374-L1378 PolarHBondContact O-N 2.99Å; A1375-L1378 PolarHBondContact O-N 3.04Å; F1376-L1378 PolarHBondContact O-N 3.18Å; L1378-R1382 HydrophobicContact CD1-CB 4.21Å; L1378-R1382 WeakPolarHBondContact O-CB 3.4Å; L1378-R1382 PolarHBondContact O-N 3.31Å; L1378-I1383 HydrophobicContact CD2-CD1 4.43Å; L1378-I1383 HydrophobicContact CG-CD1 3.98Å; L1378-I1383 HydrophobicContact CG-CG1 4.31Å; L1378-I1383 WeakPolarHBondContact O-CG1 3.37Å; L1378-I1383 PolarHBondContact O-N 3.05Å; L1378-F1393 HydrophobicContact CD1-CD2 4.48Å; L1378-F1393 HydrophobicContact CD1-CG 4.42Å; L1378-L1397 HydrophobicContact CD2-CD1 4.03Å; L1378-L1397 HydrophobicContact CD2-CD2 3.95Å; L1378-L1397 HydrophobicContact CD2-CG 4.22Å; L1378-V1411 HydrophobicContact CD2-CG1 4.06Å; L1378-V1411 HydrophobicContact CD2-CG2 4.3Å; L1378-F1445 HydrophobicContact CD2-CZ 4.47Å |
| 1379 | V | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -74.8 | -42.1 | -177.6 | 177.9 | 0 | 0 | 0 | 0 | 112.9 | A1375 F1376 Y1377 I1383 P1384 V1411 E1414 L1415 H1418 F1442 | A1375-V1379 WeakPolarHBondContact O-CB 3.34Å; A1375-V1379 VanDerWaalsContact O-CG2 3.31Å; A1375-V1379 WeakPolarHBondContact O-CG2 3.41Å; A1375-V1379 PolarHBondContact O-N 3.08Å; A1375-V1379 VanDerWaalsContact O-N 3.08Å; F1376-V1379 PolarHBondContact O-N 3.25Å; Y1377-V1379 PolarHBondContact O-N 3.13Å; V1379-I1383 HydrophobicContact CB-CD1 4.41Å; V1379-I1383 HydrophobicContact CG2-CD1 4.03Å; V1379-P1384 WeakPolarHBondContact O-CD 3.34Å; V1379-P1384 VanDerWaalsContact O-CG 3.3Å; V1379-P1384 WeakPolarHBondContact O-CG 3.44Å; V1379-V1411 HydrophobicContact CG2-CG1 4.32Å; V1379-E1414 HydrophobicContact CB-CB 4.5Å; V1379-E1414 HydrophobicContact CB-CG 4.05Å; V1379-E1414 HydrophobicContact CG1-CG 4.48Å; V1379-E1414 HydrophobicContact CG2-CB 4.19Å; V1379-E1414 HydrophobicContact CG2-CG 4.03Å; V1379-L1415 HydrophobicContact CG1-CB 4.41Å; V1379-L1415 HydrophobicContact CG1-CD1 4.18Å; V1379-L1415 HydrophobicContact CG2-CB 4.08Å; V1379-L1415 HydrophobicContact CG2-CD1 4.48Å; V1379-H1418 HydrophobicContact CG1-CB 3.91Å; V1379-H1418 VanDerWaalsContact CG1-ND1 3.28Å; V1379-H1418 WeakPolarHBondContact CG1-ND1 3.29Å; V1379-F1442 HydrophobicContact CG1-CE1 3.8Å; V1379-F1442 HydrophobicContact CG1-CZ 4.06Å; V1379-F1442 VanDerWaalsContact O-CE1 3.24Å; V1379-F1442 WeakPolarHBondContact O-CE1 3.3Å; V1379-F1442 WeakPolarHBondContact O-CZ 3.45Å |
| 1380 | S | 89.4 | Confident | 89.9 | Confident | 31.8 Ų | 31.8 | 36.4 Ų | 36.4 | 22% | 0.222 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -83.3 | -33.1 | -174.5 | -126.5 | 0 | 0 | 0 | 0 | 113.2 | F1376 H1418 | F1376-S1380 WeakPolarHBondContact CD2-OG 3.48Å; F1376-S1380 WeakPolarHBondContact CE2-OG 3.27Å; F1376-S1380 WeakPolarHBondContact CZ-OG 3.43Å; F1376-S1380 WeakPolarHBondContact O-CA 3.29Å; F1376-S1380 WeakPolarHBondContact O-CB 3.3Å; F1376-S1380 PolarHBondContact O-N 3.28Å; F1376-S1380 PolarHBondContact O-OG 2.88Å; S1380-H1418 PolarHBondContact OG-CE1 3.43Å; S1380-H1418 PolarHBondContact OG-NE2 3.06Å |
| 1381 | K | 88.7 | Confident | 90.4 | Very high | 117 Ų | 117 | 39.4 Ų | 39.4 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -108.9 | -34.1 | -171.2 | -58.4 | -63.7 | -174 | 177 | 0 | 114.5 | Y1377 | Y1377-K1381 HydrophobicContact CD2-CB 4.02Å; Y1377-K1381 HydrophobicContact CD2-CG 4.18Å; Y1377-K1381 HydrophobicContact CE2-CB 4.28Å; Y1377-K1381 WeakPolarHBondContact O-CA 3.37Å; Y1377-K1381 VanDerWaalsContact O-CB 3.29Å; Y1377-K1381 WeakPolarHBondContact O-CB 3.46Å; Y1377-K1381 PolarHBondContact O-N 3.02Å |
| 1382 | R | 92 | Very high | 90.6 | Very high | 31.6 Ų | 31.6 | 39.6 Ų | 39.6 | 12% | 0.119 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -99.5 | -59.1 | -172.3 | -63.3 | -65.5 | -177.9 | 178.4 | 5.2 | 113.1 | Y1343 N1347 Y1377 L1378 P1384 V1385 E1386 F1393 | Y1343-R1382 PolarHBondContact O-NH2 3.31Å; N1347-R1382 VanDerWaalsContact OD1-CZ 3.26Å; N1347-R1382 PolarHBondContact OD1-NH1 3.34Å; N1347-R1382 PolarHBondContact OD1-NH2 3.34Å; N1347-R1382 VanDerWaalsContact OD1-NH2 3.1Å; Y1377-R1382 HydrophobicContact CE1-CG 4.27Å; Y1377-R1382 HydrophobicContact CE2-CG 4.17Å; Y1377-R1382 VanDerWaalsContact CZ-NE 3.33Å; Y1377-R1382 VanDerWaalsContact OH-CZ 3.27Å; Y1377-R1382 PolarHBondContact OH-NE 3.21Å; Y1377-R1382 PolarHBondContact OH-NH2 3.16Å; L1378-R1382 HydrophobicContact CD1-CB 4.21Å; L1378-R1382 WeakPolarHBondContact O-CB 3.4Å; L1378-R1382 PolarHBondContact O-N 3.31Å; R1382-P1384 VanDerWaalsContact C-CD 3.43Å; R1382-P1384 VanDerWaalsContact C-N 3.34Å; R1382-V1385 PolarHBondContact O-N 3.11Å; R1382-V1385 VanDerWaalsContact O-N 3.13Å; R1382-E1386 WeakPolarHBondContact CD-OE1 3.31Å; R1382-E1386 IonicContact CZ-OE1 2.98Å; R1382-E1386 IonicContact NE-OE1 3.04Å; R1382-E1386 IonicContact NH1-OE1 2.89Å; R1382-E1386 PolarHBondContact NH1-OE1 3.12Å; R1382-E1386 IonicContact NH1-OE2 3.61Å; R1382-E1386 WeakPolarHBondContact O-CB 3.2Å; R1382-E1386 PolarHBondContact O-N 3.03Å; R1382-F1393 HydrophobicContact CB-CE2 4.17Å; R1382-F1393 HydrophobicContact CB-CZ 4.36Å |
| 1383 | I | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -40.7 | -174 | -64.4 | 163.2 | 0 | 0 | 0 | 113.8 | L1378 V1379 V1385 H1390 F1393 L1415 F1442 F1445 | L1378-I1383 HydrophobicContact CD2-CD1 4.43Å; L1378-I1383 HydrophobicContact CG-CD1 3.98Å; L1378-I1383 HydrophobicContact CG-CG1 4.31Å; L1378-I1383 WeakPolarHBondContact O-CG1 3.37Å; L1378-I1383 PolarHBondContact O-N 3.05Å; V1379-I1383 HydrophobicContact CB-CD1 4.41Å; V1379-I1383 HydrophobicContact CG2-CD1 4.03Å; I1383-V1385 VanDerWaalsContact C-N 3.3Å; I1383-V1385 PolarHBondContact O-N 3.08Å; I1383-H1390 PolarHBondContact O-NE2 3.15Å; I1383-F1393 HydrophobicContact CG1-CD2 4.47Å; I1383-L1415 HydrophobicContact CD1-CD1 4.4Å; I1383-F1442 HydrophobicContact CB-CD1 4.31Å; I1383-F1442 HydrophobicContact CB-CE1 4.17Å; I1383-F1442 HydrophobicContact CG2-CD1 3.62Å; I1383-F1442 HydrophobicContact CG2-CE1 3.99Å; I1383-F1445 HydrophobicContact CD1-CD1 3.29Å; I1383-F1445 HydrophobicContact CD1-CD2 4.48Å; I1383-F1445 HydrophobicContact CD1-CE1 3.28Å; I1383-F1445 HydrophobicContact CD1-CE2 4.44Å; I1383-F1445 HydrophobicContact CD1-CG 3.93Å; I1383-F1445 HydrophobicContact CD1-CZ 3.94Å; I1383-F1445 HydrophobicContact CG1-CD1 3.99Å; I1383-F1445 HydrophobicContact CG1-CD2 4.38Å; I1383-F1445 HydrophobicContact CG1-CE1 4.11Å; I1383-F1445 HydrophobicContact CG1-CE2 4.49Å; I1383-F1445 HydrophobicContact CG1-CG 4.12Å; I1383-F1445 HydrophobicContact CG1-CZ 4.38Å; I1383-F1445 HydrophobicContact CG2-CB 3.73Å; I1383-F1445 HydrophobicContact CG2-CD1 4.3Å; I1383-F1445 HydrophobicContact CG2-CG 4.01Å |
| 1384 | P | 90.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32 | 179.6 | -27.4 | 38 | 0 | 0 | 0 | 114.4 | V1379 R1382 T1438 N1441 F1442 | V1379-P1384 WeakPolarHBondContact O-CD 3.34Å; V1379-P1384 VanDerWaalsContact O-CG 3.3Å; V1379-P1384 WeakPolarHBondContact O-CG 3.44Å; R1382-P1384 VanDerWaalsContact C-CD 3.43Å; R1382-P1384 VanDerWaalsContact C-N 3.34Å; P1384-T1438 HydrophobicContact CB-CG2 3.84Å; P1384-T1438 HydrophobicContact CG-CG2 4.06Å; P1384-N1441 PolarHBondContact O-ND2 3.13Å; P1384-F1442 HydrophobicContact CG-CE1 3.75Å; P1384-F1442 HydrophobicContact CG-CZ 3.7Å |
| 1385 | V | 88.4 | Confident | 91.1 | Very high | 109.4 Ų | 109.4 | 39.1 Ų | 39.1 | 66% | 0.663 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -41 | -169.3 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | R1382 I1383 Q1387 | R1382-V1385 PolarHBondContact O-N 3.11Å; R1382-V1385 VanDerWaalsContact O-N 3.13Å; I1383-V1385 VanDerWaalsContact C-N 3.3Å; I1383-V1385 PolarHBondContact O-N 3.08Å; V1385-Q1387 PolarHBondContact O-N 3.32Å; V1385-Q1387 VanDerWaalsContact O-N 3.16Å |
| 1386 | E | 89.2 | Confident | 91.2 | Very high | 39.8 Ų | 39.8 | 39.3 Ų | 39.3 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | trans | -99.5 | 58.6 | -167 | -73.8 | 179.7 | -125.3 | 0 | 0 | 112.8 | R1382 T1388 F1389 H1390 F1393 | R1382-E1386 WeakPolarHBondContact CD-OE1 3.31Å; R1382-E1386 IonicContact CZ-OE1 2.98Å; R1382-E1386 IonicContact NE-OE1 3.04Å; R1382-E1386 IonicContact NH1-OE1 2.89Å; R1382-E1386 PolarHBondContact NH1-OE1 3.12Å; R1382-E1386 IonicContact NH1-OE2 3.61Å; R1382-E1386 WeakPolarHBondContact O-CB 3.2Å; R1382-E1386 PolarHBondContact O-N 3.03Å; E1386-T1388 VanDerWaalsContact C-N 3.28Å; E1386-T1388 PolarHBondContact O-N 3.17Å; E1386-F1389 HydrophobicContact CB-CB 4.49Å; E1386-F1389 HydrophobicContact CB-CD2 4.06Å; E1386-F1389 HydrophobicContact CG-CD2 4.33Å; E1386-F1389 PolarHBondContact O-N 3.15Å; E1386-F1389 VanDerWaalsContact O-N 3.1Å; E1386-F1389 WeakPolarHBondContact OE2-CD2 3.28Å; E1386-H1390 PolarHBondContact O-CD2 3.16Å; E1386-H1390 VanDerWaalsContact O-CD2 3.27Å; E1386-F1393 HydrophobicContact CB-CE2 3.89Å; E1386-F1393 HydrophobicContact CB-CZ 4Å; E1386-F1393 WeakPolarHBondContact OE2-CZ 3.24Å | ||
| 1387 | Q | 88.6 | Confident | 91.3 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -55.9 | -37.9 | -175.5 | -170.2 | -178.6 | 8.3 | 0 | 0 | 113.8 | V1385 F1389 H1390 N1441 | V1385-Q1387 PolarHBondContact O-N 3.32Å; V1385-Q1387 VanDerWaalsContact O-N 3.16Å; Q1387-F1389 PolarHBondContact O-N 3Å; Q1387-H1390 WeakPolarHBondContact CA-NE2 3.05Å; Q1387-H1390 PolarHBondContact O-N 3.21Å; Q1387-N1441 VanDerWaalsContact CD-OD1 3.28Å; Q1387-N1441 VanDerWaalsContact CG-OD1 3.3Å; Q1387-N1441 WeakPolarHBondContact CG-OD1 3.42Å; Q1387-N1441 PolarHBondContact NE2-OD1 3.29Å; Q1387-N1441 PolarHBondContact OE1-OD1 3.12Å |
| 1388 | T | 88.9 | Confident | 91.3 | Very high | 117.6 Ų | 117.6 | 39.4 Ų | 39.4 | 72% | 0.721 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -69.4 | -15.6 | -178.6 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | E1386 | E1386-T1388 VanDerWaalsContact C-N 3.28Å; E1386-T1388 PolarHBondContact O-N 3.17Å |
| 1389 | F | 91.3 | Very high | 91.1 | Very high | 93.4 Ų | 93.4 | 41.2 Ų | 41.2 | 41% | 0.41 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -104.2 | 6.5 | -178 | -61.4 | -61.7 | 0 | 0 | 0 | 113.1 | E1386 Q1387 D1391 L1392 F1393 | E1386-F1389 HydrophobicContact CB-CB 4.49Å; E1386-F1389 HydrophobicContact CB-CD2 4.06Å; E1386-F1389 HydrophobicContact CG-CD2 4.33Å; E1386-F1389 PolarHBondContact O-N 3.15Å; E1386-F1389 VanDerWaalsContact O-N 3.1Å; E1386-F1389 WeakPolarHBondContact OE2-CD2 3.28Å; Q1387-F1389 PolarHBondContact O-N 3Å; F1389-D1391 VanDerWaalsContact C-N 3.34Å; F1389-D1391 PolarHBondContact O-N 3.21Å; F1389-L1392 HydrophobicContact CB-CB 4.46Å; F1389-L1392 HydrophobicContact CD1-CD2 4.02Å; F1389-L1392 CarbonylContact O-C 3.55Å; F1389-L1392 WeakPolarHBondContact O-CA 3.32Å; F1389-L1392 WeakPolarHBondContact O-CB 3.43Å; F1389-L1392 PolarHBondContact O-N 3.11Å; F1389-F1393 HydrophobicContact CB-CD1 4.38Å; F1389-F1393 HydrophobicContact CB-CD2 4.41Å; F1389-F1393 HydrophobicContact CB-CE1 3.85Å; F1389-F1393 HydrophobicContact CB-CE2 3.87Å; F1389-F1393 HydrophobicContact CB-CZ 3.56Å; F1389-F1393 VanDerWaalsContact CB-CZ 3.46Å; F1389-F1393 HydrophobicContact CG-CZ 4.38Å; F1389-F1393 WeakPolarHBondContact O-CD2 3.47Å; F1389-F1393 VanDerWaalsContact O-CG 3.29Å; F1389-F1393 WeakPolarHBondContact O-CG 3.38Å; F1389-F1393 PolarHBondContact O-N 3.02Å |
| 1390 | H | 93.8 | Very high | 91 | Very high | 3.4 Ų | 3.4 | 41.2 Ų | 41.2 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 179.2 | -73.1 | -176.2 | 0 | 0 | 0 | 113.4 | I1383 E1386 Q1387 L1392 F1393 A1394 N1441 F1445 L1448 | I1383-H1390 PolarHBondContact O-NE2 3.15Å; E1386-H1390 PolarHBondContact O-CD2 3.16Å; E1386-H1390 VanDerWaalsContact O-CD2 3.27Å; Q1387-H1390 WeakPolarHBondContact CA-NE2 3.05Å; Q1387-H1390 PolarHBondContact O-N 3.21Å; H1390-L1392 VanDerWaalsContact C-N 3.28Å; H1390-L1392 PolarHBondContact O-N 3.24Å; H1390-F1393 PolarHBondContact O-N 3.19Å; H1390-A1394 WeakPolarHBondContact O-CB 3.33Å; H1390-A1394 PolarHBondContact O-N 3.23Å; H1390-N1441 PolarHBondContact CE1-O 3.24Å; H1390-N1441 VanDerWaalsContact CE1-O 3.24Å; H1390-F1445 HydrophobicContact CB-CD2 4.03Å; H1390-L1448 HydrophobicContact CB-CD1 3.77Å |
| 1391 | D | 92.5 | Very high | 91 | Very high | 77.6 Ų | 77.6 | 41.5 Ų | 41.5 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 175.2 | -57.4 | -33.6 | 0 | 0 | 0 | 112 | K1351 F1389 A1394 L1395 L1448 | K1351-D1391 IonicContact NZ-OD2 3.6Å; K1351-D1391 PolarHBondContact NZ-OD2 3.45Å; F1389-D1391 VanDerWaalsContact C-N 3.34Å; F1389-D1391 PolarHBondContact O-N 3.21Å; D1391-A1394 PolarHBondContact O-N 2.98Å; D1391-L1395 WeakPolarHBondContact O-CB 3.28Å; D1391-L1395 PolarHBondContact O-N 2.98Å; D1391-L1448 WeakPolarHBondContact OD1-CD1 3.4Å; D1391-L1448 WeakPolarHBondContact OD1-CD2 3.23Å |
| 1392 | L | 92.2 | Very high | 90.9 | Very high | 7.6 Ų | 7.6 | 42.6 Ų | 42.6 | 4% | 0.04 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.7 | -42.7 | -179.5 | 179.2 | 60.5 | 0 | 0 | 0 | 110.6 | V1349 S1350 K1351 A1354 F1389 H1390 A1394 L1395 V1396 | V1349-L1392 HydrophobicContact CG1-CD2 3.91Å; V1349-L1392 HydrophobicContact CG1-CG 4.22Å; V1349-L1392 HydrophobicContact CG2-CD1 4.38Å; V1349-L1392 WeakPolarHBondContact O-CD2 3.28Å; S1350-L1392 VanDerWaalsContact C-CD1 3.48Å; K1351-L1392 HydrophobicContact CG-CD1 4.09Å; A1354-L1392 HydrophobicContact CB-CD1 4.04Å; F1389-L1392 HydrophobicContact CB-CB 4.46Å; F1389-L1392 HydrophobicContact CD1-CD2 4.02Å; F1389-L1392 CarbonylContact O-C 3.55Å; F1389-L1392 WeakPolarHBondContact O-CA 3.32Å; F1389-L1392 WeakPolarHBondContact O-CB 3.43Å; F1389-L1392 PolarHBondContact O-N 3.11Å; H1390-L1392 VanDerWaalsContact C-N 3.28Å; H1390-L1392 PolarHBondContact O-N 3.24Å; L1392-A1394 VanDerWaalsContact C-N 3.33Å; L1392-L1395 PolarHBondContact O-N 3.07Å; L1392-V1396 HydrophobicContact CD1-CG2 4.46Å; L1392-V1396 WeakPolarHBondContact O-CB 3.36Å; L1392-V1396 VanDerWaalsContact O-CG2 3.25Å; L1392-V1396 WeakPolarHBondContact O-CG2 3.39Å; L1392-V1396 PolarHBondContact O-N 3.04Å |
| 1393 | F | 93.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 174.5 | -60.1 | -24 | 0 | 0 | 0 | 111.9 | F1346 L1378 R1382 I1383 E1386 F1389 H1390 L1395 V1396 L1397 F1445 | F1346-F1393 AromaticContact CD1-CD1 3.89Å; F1346-F1393 HydrophobicContact CD1-CD1 3.89Å; F1346-F1393 AromaticContact CD1-CE1 3.68Å; F1346-F1393 HydrophobicContact CD1-CE1 3.68Å; F1346-F1393 HydrophobicContact CD1-CZ 4.46Å; F1346-F1393 AromaticContact CE1-CD1 3.78Å; F1346-F1393 HydrophobicContact CE1-CD1 3.78Å; F1346-F1393 HydrophobicContact CE1-CE1 4.06Å; F1346-F1393 HydrophobicContact CE1-CG 4.44Å; L1378-F1393 HydrophobicContact CD1-CD2 4.48Å; L1378-F1393 HydrophobicContact CD1-CG 4.42Å; R1382-F1393 HydrophobicContact CB-CE2 4.17Å; R1382-F1393 HydrophobicContact CB-CZ 4.36Å; I1383-F1393 HydrophobicContact CG1-CD2 4.47Å; E1386-F1393 HydrophobicContact CB-CE2 3.89Å; E1386-F1393 HydrophobicContact CB-CZ 4Å; E1386-F1393 WeakPolarHBondContact OE2-CZ 3.24Å; F1389-F1393 HydrophobicContact CB-CD1 4.38Å; F1389-F1393 HydrophobicContact CB-CD2 4.41Å; F1389-F1393 HydrophobicContact CB-CE1 3.85Å; F1389-F1393 HydrophobicContact CB-CE2 3.87Å; F1389-F1393 HydrophobicContact CB-CZ 3.56Å; F1389-F1393 VanDerWaalsContact CB-CZ 3.46Å; F1389-F1393 HydrophobicContact CG-CZ 4.38Å; F1389-F1393 WeakPolarHBondContact O-CD2 3.47Å; F1389-F1393 VanDerWaalsContact O-CG 3.29Å; F1389-F1393 WeakPolarHBondContact O-CG 3.38Å; F1389-F1393 PolarHBondContact O-N 3.02Å; H1390-F1393 PolarHBondContact O-N 3.19Å; F1393-L1395 VanDerWaalsContact C-N 3.34Å; F1393-V1396 PolarHBondContact O-N 3.17Å; F1393-L1397 VanDerWaalsContact O-CB 3.32Å; F1393-L1397 WeakPolarHBondContact O-CB 3.33Å; F1393-L1397 WeakPolarHBondContact O-CG 3.19Å; F1393-L1397 PolarHBondContact O-N 3.21Å; F1393-F1445 HydrophobicContact CB-CE2 3.68Å; F1393-F1445 HydrophobicContact CB-CZ 4.16Å |
| 1394 | A | 91.9 | Very high | 90.2 | Very high | 2.4 Ų | 2.4 | 50 Ų | 50 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1390 D1391 L1392 V1396 L1397 D1398 F1445 L1448 I1449 | H1390-A1394 WeakPolarHBondContact O-CB 3.33Å; H1390-A1394 PolarHBondContact O-N 3.23Å; D1391-A1394 PolarHBondContact O-N 2.98Å; L1392-A1394 VanDerWaalsContact C-N 3.33Å; A1394-V1396 VanDerWaalsContact C-N 3.35Å; A1394-V1396 PolarHBondContact O-N 3.06Å; A1394-L1397 WeakPolarHBondContact O-CB 3.37Å; A1394-L1397 PolarHBondContact O-N 3.04Å; A1394-D1398 VanDerWaalsContact O-CG 3.29Å; A1394-D1398 PolarHBondContact O-N 3.13Å; A1394-D1398 VanDerWaalsContact O-N 3.09Å; A1394-F1445 HydrophobicContact CB-CE2 4.37Å; A1394-L1448 HydrophobicContact CB-CB 4.25Å; A1394-I1449 HydrophobicContact CB-CG2 3.89Å |
| 1395 | L | 91.5 | Very high | 89.9 | Confident | 51.2 Ų | 51.2 | 52.9 Ų | 52.9 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 176 | -174.1 | 157.9 | 0 | 0 | 0 | 112.3 | A1354 D1391 L1392 F1393 L1397 D1398 H1399 | A1354-L1395 HydrophobicContact CB-CD2 3.4Å; D1391-L1395 WeakPolarHBondContact O-CB 3.28Å; D1391-L1395 PolarHBondContact O-N 2.98Å; L1392-L1395 PolarHBondContact O-N 3.07Å; F1393-L1395 VanDerWaalsContact C-N 3.34Å; L1395-L1397 VanDerWaalsContact C-N 3.32Å; L1395-L1397 PolarHBondContact O-N 3.09Å; L1395-D1398 WeakPolarHBondContact CA-OD2 3.42Å; L1395-D1398 WeakPolarHBondContact O-CB 3.27Å; L1395-D1398 PolarHBondContact O-N 3.24Å; L1395-D1398 VanDerWaalsContact O-N 3.13Å; L1395-H1399 VanDerWaalsContact CD2-CD2 3.48Å; L1395-H1399 WeakPolarHBondContact CD2-CD2 3.48Å; L1395-H1399 WeakPolarHBondContact CD2-CE1 3.3Å; L1395-H1399 WeakPolarHBondContact CD2-ND1 3.33Å; L1395-H1399 WeakPolarHBondContact CD2-NE2 3.5Å; L1395-H1399 PolarHBondContact O-N 3.19Å; L1395-H1399 VanDerWaalsContact O-N 3.16Å; L1395-H1399 PolarHBondContact O-ND1 2.67Å |
| 1396 | V | 92.4 | Very high | 89.8 | Confident | 3.8 Ų | 3.8 | 51.8 Ų | 51.8 | 2% | 0.023 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.7 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | F1346 V1349 A1354 S1358 L1361 L1392 F1393 A1394 D1398 H1399 I1400 | F1346-V1396 HydrophobicContact CZ-CG1 4.34Å; V1349-V1396 HydrophobicContact CG2-CG2 3.73Å; A1354-V1396 HydrophobicContact CB-CG2 4.26Å; S1358-V1396 WeakPolarHBondContact OG-CA 3.33Å; L1361-V1396 HydrophobicContact CD2-CG1 4.31Å; L1392-V1396 HydrophobicContact CD1-CG2 4.46Å; L1392-V1396 WeakPolarHBondContact O-CB 3.36Å; L1392-V1396 VanDerWaalsContact O-CG2 3.25Å; L1392-V1396 WeakPolarHBondContact O-CG2 3.39Å; L1392-V1396 PolarHBondContact O-N 3.04Å; F1393-V1396 PolarHBondContact O-N 3.17Å; A1394-V1396 VanDerWaalsContact C-N 3.35Å; A1394-V1396 PolarHBondContact O-N 3.06Å; V1396-D1398 VanDerWaalsContact C-N 3.31Å; V1396-D1398 PolarHBondContact O-N 3.27Å; V1396-H1399 PolarHBondContact O-N 3.09Å; V1396-I1400 HydrophobicContact CG1-CD1 3.65Å; V1396-I1400 HydrophobicContact CG1-CG1 4.35Å; V1396-I1400 WeakPolarHBondContact O-CD1 3.41Å; V1396-I1400 VanDerWaalsContact O-CG1 3.27Å; V1396-I1400 WeakPolarHBondContact O-CG1 3.39Å; V1396-I1400 PolarHBondContact O-N 3.18Å |
| 1397 | L | 92.1 | Very high | 89.8 | Confident | 2.8 Ų | 2.8 | 49.9 Ų | 49.9 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -34.8 | 176.5 | -111.3 | 137.5 | 0 | 0 | 0 | 112.7 | F1374 L1378 F1393 A1394 L1395 H1399 I1400 Q1401 V1407 R1408 V1411 F1445 I1449 | F1374-L1397 HydrophobicContact CE1-CD2 4.16Å; F1374-L1397 HydrophobicContact CZ-CD2 4.38Å; L1378-L1397 HydrophobicContact CD2-CD1 4.03Å; L1378-L1397 HydrophobicContact CD2-CD2 3.95Å; L1378-L1397 HydrophobicContact CD2-CG 4.22Å; F1393-L1397 VanDerWaalsContact O-CB 3.32Å; F1393-L1397 WeakPolarHBondContact O-CB 3.33Å; F1393-L1397 WeakPolarHBondContact O-CG 3.19Å; F1393-L1397 PolarHBondContact O-N 3.21Å; A1394-L1397 WeakPolarHBondContact O-CB 3.37Å; A1394-L1397 PolarHBondContact O-N 3.04Å; L1395-L1397 VanDerWaalsContact C-N 3.32Å; L1395-L1397 PolarHBondContact O-N 3.09Å; L1397-H1399 VanDerWaalsContact C-N 3.35Å; L1397-I1400 PolarHBondContact O-N 3.1Å; L1397-Q1401 VanDerWaalsContact O-CB 3.26Å; L1397-Q1401 WeakPolarHBondContact O-CB 3.42Å; L1397-Q1401 PolarHBondContact O-N 3.24Å; L1397-V1407 HydrophobicContact CD1-CG1 3.65Å; L1397-V1407 HydrophobicContact CD2-CG1 4.08Å; L1397-R1408 HydrophobicContact CD2-CG 4.23Å; L1397-V1411 HydrophobicContact CD1-CG1 3.97Å; L1397-V1411 HydrophobicContact CD1-CG2 3.99Å; L1397-V1411 HydrophobicContact CD2-CB 4.45Å; L1397-V1411 HydrophobicContact CD2-CG1 4.18Å; L1397-V1411 HydrophobicContact CD2-CG2 4.01Å; L1397-F1445 HydrophobicContact CD1-CE1 4.11Å; L1397-F1445 HydrophobicContact CD1-CZ 3.64Å; L1397-I1449 HydrophobicContact CD1-CG2 4.15Å; L1397-I1449 HydrophobicContact CD2-CB 4.44Å; L1397-I1449 HydrophobicContact CD2-CD1 4.5Å; L1397-I1449 HydrophobicContact CD2-CG2 3.93Å |
| 1398 | D | 90.6 | Very high | 89.9 | Confident | 31.8 Ų | 31.8 | 47.6 Ų | 47.6 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 175.1 | -60.1 | -54.1 | 0 | 0 | 0 | 111.9 | A1394 L1395 V1396 I1400 Q1401 E1402 R1408 R1453 | A1394-D1398 VanDerWaalsContact O-CG 3.29Å; A1394-D1398 PolarHBondContact O-N 3.13Å; A1394-D1398 VanDerWaalsContact O-N 3.09Å; L1395-D1398 WeakPolarHBondContact CA-OD2 3.42Å; L1395-D1398 WeakPolarHBondContact O-CB 3.27Å; L1395-D1398 PolarHBondContact O-N 3.24Å; L1395-D1398 VanDerWaalsContact O-N 3.13Å; V1396-D1398 VanDerWaalsContact C-N 3.31Å; V1396-D1398 PolarHBondContact O-N 3.27Å; D1398-I1400 VanDerWaalsContact C-N 3.32Å; D1398-I1400 PolarHBondContact O-N 3.3Å; D1398-Q1401 WeakPolarHBondContact O-CA 3.31Å; D1398-Q1401 WeakPolarHBondContact O-CB 3.39Å; D1398-Q1401 PolarHBondContact O-N 3.19Å; D1398-Q1401 VanDerWaalsContact O-N 3.09Å; D1398-E1402 PolarHBondContact O-N 3.14Å; D1398-E1402 VanDerWaalsContact O-N 3.13Å; D1398-R1408 IonicContact OD1-CZ 2.86Å; D1398-R1408 IonicContact OD1-NH2 2.76Å; D1398-R1408 PolarHBondContact OD1-NH2 3.41Å; D1398-R1453 IonicContact OD1-CZ 3.56Å; D1398-R1453 IonicContact OD1-NE 2.73Å; D1398-R1453 IonicContact OD1-NH1 3.31Å; D1398-R1453 PolarHBondContact OD1-NH1 3.08Å; D1398-R1453 VanDerWaalsContact OD1-NH1 3.11Å; D1398-R1453 IonicContact OD1-NH2 2.9Å; D1398-R1453 IonicContact OD2-CZ 3.41Å; D1398-R1453 IonicContact OD2-NE 2.79Å; D1398-R1453 PolarHBondContact OD2-NE 3.28Å; D1398-R1453 IonicContact OD2-NH1 2.85Å; D1398-R1453 PolarHBondContact OD2-NH1 3.2Å; D1398-R1453 IonicContact OD2-NH2 2.96Å; D1398-R1453 PolarHBondContact OD2-NH2 2.97Å |
| 1399 | H | 90.1 | Very high | 89.9 | Confident | 38.8 Ų | 38.8 | 45.4 Ų | 45.4 | 18% | 0.18 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -34.7 | 178.4 | -70.4 | -21.4 | 0 | 0 | 0 | 112.9 | S1358 L1395 V1396 L1397 Q1401 E1402 | S1358-H1399 VanDerWaalsContact CB-CB 3.45Å; S1358-H1399 WeakPolarHBondContact OG-CB 3.27Å; L1395-H1399 VanDerWaalsContact CD2-CD2 3.48Å; L1395-H1399 WeakPolarHBondContact CD2-CD2 3.48Å; L1395-H1399 WeakPolarHBondContact CD2-CE1 3.3Å; L1395-H1399 WeakPolarHBondContact CD2-ND1 3.33Å; L1395-H1399 WeakPolarHBondContact CD2-NE2 3.5Å; L1395-H1399 PolarHBondContact O-N 3.19Å; L1395-H1399 VanDerWaalsContact O-N 3.16Å; L1395-H1399 PolarHBondContact O-ND1 2.67Å; V1396-H1399 PolarHBondContact O-N 3.09Å; L1397-H1399 VanDerWaalsContact C-N 3.35Å; H1399-Q1401 VanDerWaalsContact C-N 3.33Å; H1399-E1402 IonicContact CE1-OE1 3.86Å; H1399-E1402 IonicContact CG-OE1 2.74Å; H1399-E1402 IonicContact ND1-OE1 3.67Å; H1399-E1402 PolarHBondContact ND1-OE1 3.42Å; H1399-E1402 PolarHBondContact O-N 3.34Å |
| 1400 | I | 90.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 172.3 | -64 | 164 | 0 | 0 | 0 | 110.1 | L1361 A1362 L1365 F1374 V1396 L1397 D1398 E1402 R1403 V1404 V1407 | L1361-I1400 HydrophobicContact CB-CD1 4.45Å; L1361-I1400 HydrophobicContact CD2-CD1 3.49Å; L1361-I1400 VanDerWaalsContact CD2-CD1 3.45Å; L1361-I1400 HydrophobicContact CD2-CG1 4.43Å; L1361-I1400 HydrophobicContact CG-CD1 3.93Å; L1361-I1400 HydrophobicContact CG-CG1 4.44Å; A1362-I1400 HydrophobicContact CB-CG2 4.48Å; L1365-I1400 HydrophobicContact CD1-CD1 4.45Å; L1365-I1400 HydrophobicContact CD1-CG2 4.24Å; F1374-I1400 HydrophobicContact CE1-CD1 4.45Å; F1374-I1400 HydrophobicContact CZ-CD1 4.28Å; V1396-I1400 HydrophobicContact CG1-CD1 3.65Å; V1396-I1400 HydrophobicContact CG1-CG1 4.35Å; V1396-I1400 WeakPolarHBondContact O-CD1 3.41Å; V1396-I1400 VanDerWaalsContact O-CG1 3.27Å; V1396-I1400 WeakPolarHBondContact O-CG1 3.39Å; V1396-I1400 PolarHBondContact O-N 3.18Å; L1397-I1400 PolarHBondContact O-N 3.1Å; D1398-I1400 VanDerWaalsContact C-N 3.32Å; D1398-I1400 PolarHBondContact O-N 3.3Å; I1400-E1402 VanDerWaalsContact C-N 3.29Å; I1400-E1402 PolarHBondContact O-N 3.13Å; I1400-R1403 PolarHBondContact O-N 3.22Å; I1400-V1404 HydrophobicContact CG2-CB 4.42Å; I1400-V1404 PolarHBondContact O-N 3.27Å; I1400-V1407 HydrophobicContact CG2-CB 4.11Å; I1400-V1407 HydrophobicContact CG2-CG1 4.05Å; I1400-V1407 HydrophobicContact CG2-CG2 3.83Å |
| 1401 | Q | 88.8 | Confident | 89.8 | Confident | 38.2 Ų | 38.2 | 45.9 Ų | 45.9 | 18% | 0.179 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -31.4 | -179.8 | 179.2 | 84.7 | 20.3 | 0 | 0 | 113 | L1397 D1398 H1399 R1403 V1404 P1405 R1408 | L1397-Q1401 VanDerWaalsContact O-CB 3.26Å; L1397-Q1401 WeakPolarHBondContact O-CB 3.42Å; L1397-Q1401 PolarHBondContact O-N 3.24Å; D1398-Q1401 WeakPolarHBondContact O-CA 3.31Å; D1398-Q1401 WeakPolarHBondContact O-CB 3.39Å; D1398-Q1401 PolarHBondContact O-N 3.19Å; D1398-Q1401 VanDerWaalsContact O-N 3.09Å; H1399-Q1401 VanDerWaalsContact C-N 3.33Å; Q1401-R1403 PolarHBondContact O-N 3.19Å; Q1401-V1404 CarbonylContact O-C 3.52Å; Q1401-V1404 PolarHBondContact O-N 3.24Å; Q1401-P1405 VanDerWaalsContact NE2-CA 3.32Å; Q1401-P1405 PolarHBondContact NE2-O 3.1Å; Q1401-P1405 PolarHBondContact OE1-O 3.29Å; Q1401-R1408 HydrophobicContact CG-CB 4.37Å; Q1401-R1408 VanDerWaalsContact NE2-NH2 3.12Å |
| 1402 | E | 86.7 | Confident | 89.8 | Confident | 139.2 Ų | 139.2 | 43.3 Ų | 43.3 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -59.6 | -29.4 | 173.7 | -71.5 | 173.1 | -150 | 0 | 0 | 112.5 | D1398 H1399 I1400 | D1398-E1402 PolarHBondContact O-N 3.14Å; D1398-E1402 VanDerWaalsContact O-N 3.13Å; H1399-E1402 IonicContact CE1-OE1 3.86Å; H1399-E1402 IonicContact CG-OE1 2.74Å; H1399-E1402 IonicContact ND1-OE1 3.67Å; H1399-E1402 PolarHBondContact ND1-OE1 3.42Å; H1399-E1402 PolarHBondContact O-N 3.34Å; I1400-E1402 VanDerWaalsContact C-N 3.29Å; I1400-E1402 PolarHBondContact O-N 3.13Å |
| 1403 | R | 84.6 | Confident | 89.7 | Confident | 170.8 Ų | 170.8 | 49.3 Ų | 49.3 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -100.9 | -40.5 | -179.8 | -65.8 | -80.5 | -168.8 | 168.2 | 3 | 113.2 | N1359 A1362 I1400 Q1401 | N1359-R1403 PolarHBondContact OD1-NE 3.44Å; N1359-R1403 VanDerWaalsContact OD1-NE 3.11Å; N1359-R1403 PolarHBondContact OD1-NH2 3.09Å; A1362-R1403 HydrophobicContact CB-CB 3.9Å; A1362-R1403 HydrophobicContact CB-CG 4.21Å; I1400-R1403 PolarHBondContact O-N 3.22Å; Q1401-R1403 PolarHBondContact O-N 3.19Å |
| 1404 | V | 87.1 | Confident | 89.7 | Confident | 15.6 Ų | 15.6 | 50.3 Ų | 50.3 | 10% | 0.095 | 24% | 0.24 | C | C | . | . | trans | -125.5 | 89.1 | -174.4 | -167 | 0 | 0 | 0 | 0 | 108.9 | A1362 I1371 I1400 Q1401 N1406 V1407 | A1362-V1404 HydrophobicContact CB-CG2 4.4Å; I1371-V1404 HydrophobicContact CD1-CG1 3.75Å; I1400-V1404 HydrophobicContact CG2-CB 4.42Å; I1400-V1404 PolarHBondContact O-N 3.27Å; Q1401-V1404 CarbonylContact O-C 3.52Å; Q1401-V1404 PolarHBondContact O-N 3.24Å; V1404-N1406 PolarHBondContact O-N 3.12Å; V1404-N1406 VanDerWaalsContact O-N 3.11Å; V1404-V1407 HydrophobicContact CB-CG2 3.75Å; V1404-V1407 HydrophobicContact CG1-CG2 3.59Å; V1404-V1407 VanDerWaalsContact CG1-CG2 3.47Å; V1404-V1407 PolarHBondContact O-N 3.07Å | ||
| 1405 | P | 83.1 | Confident | 89.8 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 51% | 0.506 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.1 | -170.8 | 25.3 | -34.4 | 0 | 0 | 0 | 114.2 | Q1401 V1407 P1409 | Q1401-P1405 VanDerWaalsContact NE2-CA 3.32Å; Q1401-P1405 PolarHBondContact NE2-O 3.1Å; Q1401-P1405 PolarHBondContact OE1-O 3.29Å; P1405-V1407 VanDerWaalsContact C-N 3.33Å; P1405-V1407 PolarHBondContact O-N 3.46Å; P1405-P1409 WeakPolarHBondContact O-CD 3.33Å |
| 1406 | N | 85.9 | Confident | 89.9 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.2 | -179.2 | -65.3 | -19.1 | 0 | 0 | 0 | 113.6 | D1368 I1371 V1404 P1409 K1410 | D1368-N1406 PolarHBondContact OD1-ND2 2.6Å; I1371-N1406 HydrophobicContact CD1-CB 4.14Å; V1404-N1406 PolarHBondContact O-N 3.12Å; V1404-N1406 VanDerWaalsContact O-N 3.11Å; N1406-P1409 WeakPolarHBondContact O-CD 3.45Å; N1406-K1410 WeakPolarHBondContact O-CG 3.41Å; N1406-K1410 PolarHBondContact O-N 3.24Å |
| 1407 | V | 89.6 | Confident | 89.8 | Confident | 0.2 Ų | 0.2 | 51.4 Ų | 51.4 | 0% | 0.001 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.6 | -51.6 | -172.1 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | I1371 F1374 L1397 I1400 V1404 P1405 K1410 V1411 | I1371-V1407 HydrophobicContact CD1-CG2 4.23Å; I1371-V1407 HydrophobicContact CG1-CG2 4.26Å; I1371-V1407 HydrophobicContact CG2-CB 4.44Å; I1371-V1407 HydrophobicContact CG2-CG2 4.04Å; F1374-V1407 HydrophobicContact CD1-CG1 4.02Å; F1374-V1407 HydrophobicContact CE1-CG1 3.73Å; L1397-V1407 HydrophobicContact CD1-CG1 3.65Å; L1397-V1407 HydrophobicContact CD2-CG1 4.08Å; I1400-V1407 HydrophobicContact CG2-CB 4.11Å; I1400-V1407 HydrophobicContact CG2-CG1 4.05Å; I1400-V1407 HydrophobicContact CG2-CG2 3.83Å; V1404-V1407 HydrophobicContact CB-CG2 3.75Å; V1404-V1407 HydrophobicContact CG1-CG2 3.59Å; V1404-V1407 VanDerWaalsContact CG1-CG2 3.47Å; V1404-V1407 PolarHBondContact O-N 3.07Å; P1405-V1407 VanDerWaalsContact C-N 3.33Å; P1405-V1407 PolarHBondContact O-N 3.46Å; V1407-K1410 PolarHBondContact O-N 2.93Å; V1407-K1410 VanDerWaalsContact O-N 3.13Å; V1407-V1411 HydrophobicContact CG1-CG2 4.12Å; V1407-V1411 WeakPolarHBondContact O-CG2 3.41Å; V1407-V1411 PolarHBondContact O-N 3Å |
| 1408 | R | 90.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | -176.6 | -174.1 | 178.7 | 13.2 | 101.6 | 7.9 | 112.6 | L1397 D1398 Q1401 K1410 V1411 M1412 I1449 | L1397-R1408 HydrophobicContact CD2-CG 4.23Å; D1398-R1408 IonicContact OD1-CZ 2.86Å; D1398-R1408 IonicContact OD1-NH2 2.76Å; D1398-R1408 PolarHBondContact OD1-NH2 3.41Å; Q1401-R1408 HydrophobicContact CG-CB 4.37Å; Q1401-R1408 VanDerWaalsContact NE2-NH2 3.12Å; R1408-K1410 VanDerWaalsContact C-N 3.3Å; R1408-K1410 PolarHBondContact O-N 3.2Å; R1408-V1411 PolarHBondContact O-N 3.18Å; R1408-M1412 HydrophobicContact CG-CE 4.06Å; R1408-M1412 HydrophobicContact CG-CG 4.32Å; R1408-M1412 WeakPolarHBondContact O-CB 3.37Å; R1408-M1412 WeakPolarHBondContact O-CG 3.37Å; R1408-M1412 PolarHBondContact O-N 3.03Å; R1408-I1449 PolarHBondContact NH1-O 2.86Å |
| 1409 | P | 90.1 | Very high | 89.9 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 47% | 0.468 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.6 | -40 | 174 | -25.8 | 35.2 | 0 | 0 | 0 | 113.6 | P1405 N1406 M1412 Y1413 | P1405-P1409 WeakPolarHBondContact O-CD 3.33Å; N1406-P1409 WeakPolarHBondContact O-CD 3.45Å; P1409-M1412 PolarHBondContact O-N 3.18Å; P1409-Y1413 WeakPolarHBondContact O-CB 3.37Å; P1409-Y1413 PolarHBondContact O-N 3.2Å |
| 1410 | K | 89.2 | Confident | 89.9 | Confident | 105.8 Ų | 105.8 | 50.7 Ų | 50.7 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.2 | -40.5 | 177.5 | -67.9 | -66.6 | -176.4 | -176.8 | 0 | 112.4 | I1371 A1375 N1406 V1407 R1408 M1412 Y1413 E1414 | I1371-K1410 HydrophobicContact CG2-CB 3.9Å; I1371-K1410 HydrophobicContact CG2-CG 3.9Å; A1375-K1410 HydrophobicContact CB-CB 4.3Å; N1406-K1410 WeakPolarHBondContact O-CG 3.41Å; N1406-K1410 PolarHBondContact O-N 3.24Å; V1407-K1410 PolarHBondContact O-N 2.93Å; V1407-K1410 VanDerWaalsContact O-N 3.13Å; R1408-K1410 VanDerWaalsContact C-N 3.3Å; R1408-K1410 PolarHBondContact O-N 3.2Å; K1410-M1412 VanDerWaalsContact C-N 3.32Å; K1410-M1412 PolarHBondContact O-N 3.28Å; K1410-Y1413 PolarHBondContact O-N 3.3Å; K1410-E1414 WeakPolarHBondContact O-CB 3.38Å; K1410-E1414 WeakPolarHBondContact O-CG 3.35Å; K1410-E1414 PolarHBondContact O-N 2.96Å |
| 1411 | V | 93.4 | Very high | 89.8 | Confident | 0.2 Ų | 0.2 | 54 Ų | 54 | 0% | 0.001 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 173.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | F1374 A1375 L1378 V1379 L1397 V1407 R1408 E1414 L1415 F1445 I1449 | F1374-V1411 HydrophobicContact CE1-CG2 4.42Å; A1375-V1411 HydrophobicContact CB-CG2 3.96Å; L1378-V1411 HydrophobicContact CD2-CG1 4.06Å; L1378-V1411 HydrophobicContact CD2-CG2 4.3Å; V1379-V1411 HydrophobicContact CG2-CG1 4.32Å; L1397-V1411 HydrophobicContact CD1-CG1 3.97Å; L1397-V1411 HydrophobicContact CD1-CG2 3.99Å; L1397-V1411 HydrophobicContact CD2-CB 4.45Å; L1397-V1411 HydrophobicContact CD2-CG1 4.18Å; L1397-V1411 HydrophobicContact CD2-CG2 4.01Å; V1407-V1411 HydrophobicContact CG1-CG2 4.12Å; V1407-V1411 WeakPolarHBondContact O-CG2 3.41Å; V1407-V1411 PolarHBondContact O-N 3Å; R1408-V1411 PolarHBondContact O-N 3.18Å; V1411-E1414 PolarHBondContact O-N 3.2Å; V1411-L1415 WeakPolarHBondContact O-CB 3.38Å; V1411-L1415 PolarHBondContact O-N 3.19Å; V1411-F1445 HydrophobicContact CG1-CE1 4.38Å; V1411-I1449 HydrophobicContact CG1-CD1 4.48Å |
| 1412 | M | 91.7 | Very high | 89.7 | Confident | 24.4 Ų | 24.4 | 53.5 Ų | 53.5 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 175.7 | -70.2 | -74.5 | -170.5 | 0 | 0 | 111.7 | R1408 P1409 K1410 E1414 L1415 I1416 L1446 I1449 T1450 | R1408-M1412 HydrophobicContact CG-CE 4.06Å; R1408-M1412 HydrophobicContact CG-CG 4.32Å; R1408-M1412 WeakPolarHBondContact O-CB 3.37Å; R1408-M1412 WeakPolarHBondContact O-CG 3.37Å; R1408-M1412 PolarHBondContact O-N 3.03Å; P1409-M1412 PolarHBondContact O-N 3.18Å; K1410-M1412 VanDerWaalsContact C-N 3.32Å; K1410-M1412 PolarHBondContact O-N 3.28Å; M1412-E1414 VanDerWaalsContact C-N 3.25Å; M1412-E1414 PolarHBondContact O-N 3.05Å; M1412-L1415 PolarHBondContact O-N 3.29Å; M1412-I1416 WeakPolarHBondContact O-CB 3.42Å; M1412-I1416 WeakPolarHBondContact O-CD1 3.45Å; M1412-I1416 WeakPolarHBondContact O-CG1 3.31Å; M1412-I1416 PolarHBondContact O-N 3.26Å; M1412-L1446 HydrophobicContact SD-CD1 4.15Å; M1412-I1449 HydrophobicContact CE-CB 3.85Å; M1412-I1449 HydrophobicContact CE-CD1 3.5Å; M1412-I1449 VanDerWaalsContact CE-CD1 3.48Å; M1412-I1449 HydrophobicContact CE-CG1 3.45Å; M1412-I1449 VanDerWaalsContact CE-CG1 3.42Å; M1412-I1449 VanDerWaalsContact CE-O 3.27Å; M1412-I1449 WeakPolarHBondContact CE-O 3.33Å; M1412-I1449 HydrophobicContact CG-CD1 4.3Å; M1412-I1449 HydrophobicContact SD-CD1 3.36Å; M1412-I1449 WeakPolarHBondContact SD-CD1 3.39Å; M1412-I1449 HydrophobicContact SD-CG1 3.79Å; M1412-T1450 HydrophobicContact CE-CG2 3.37Å; M1412-T1450 VanDerWaalsContact CE-CG2 3.48Å; M1412-T1450 HydrophobicContact SD-CG2 3.61Å; M1412-T1450 VanDerWaalsContact SD-CG2 3.6Å |
| 1413 | Y | 91.4 | Very high | 89.8 | Confident | 133 Ų | 133 | 46.8 Ų | 46.8 | 52% | 0.522 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.8 | -49 | 177.6 | 176.1 | -95.3 | 0 | 0 | 0 | 111.2 | D1323 P1409 K1410 L1415 I1416 R1417 | D1323-Y1413 PolarHBondContact OD2-OH 3.27Å; D1323-Y1413 VanDerWaalsContact OD2-OH 3.11Å; P1409-Y1413 WeakPolarHBondContact O-CB 3.37Å; P1409-Y1413 PolarHBondContact O-N 3.2Å; K1410-Y1413 PolarHBondContact O-N 3.3Å; Y1413-L1415 VanDerWaalsContact C-N 3.34Å; Y1413-L1415 PolarHBondContact O-N 3Å; Y1413-I1416 PolarHBondContact O-N 3.03Å; Y1413-R1417 VanDerWaalsContact O-CB 3.24Å; Y1413-R1417 WeakPolarHBondContact O-CB 3.4Å; Y1413-R1417 PolarHBondContact O-N 3.24Å |
| 1414 | E | 91.9 | Very high | 89.7 | Confident | 22.4 Ų | 22.4 | 43.4 Ų | 43.4 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 178.8 | -89.3 | -43.4 | 139.4 | 0 | 0 | 113 | A1375 F1376 V1379 K1410 V1411 M1412 R1417 H1418 | A1375-E1414 HydrophobicContact CB-CB 4.18Å; A1375-E1414 HydrophobicContact CB-CG 3.92Å; F1376-E1414 WeakPolarHBondContact CD2-OE1 3.31Å; V1379-E1414 HydrophobicContact CB-CB 4.5Å; V1379-E1414 HydrophobicContact CB-CG 4.05Å; V1379-E1414 HydrophobicContact CG1-CG 4.48Å; V1379-E1414 HydrophobicContact CG2-CB 4.19Å; V1379-E1414 HydrophobicContact CG2-CG 4.03Å; K1410-E1414 WeakPolarHBondContact O-CB 3.38Å; K1410-E1414 WeakPolarHBondContact O-CG 3.35Å; K1410-E1414 PolarHBondContact O-N 2.96Å; V1411-E1414 PolarHBondContact O-N 3.2Å; M1412-E1414 VanDerWaalsContact C-N 3.25Å; M1412-E1414 PolarHBondContact O-N 3.05Å; E1414-R1417 PolarHBondContact O-N 3.09Å; E1414-R1417 IonicContact OE1-CZ 3.44Å; E1414-R1417 IonicContact OE1-NE 3.06Å; E1414-R1417 PolarHBondContact OE1-NE 3.25Å; E1414-R1417 VanDerWaalsContact OE1-NE 3.11Å; E1414-R1417 IonicContact OE1-NH2 3.5Å; E1414-R1417 PolarHBondContact OE1-NH2 3.02Å; E1414-R1417 IonicContact OE2-CZ 3.73Å; E1414-R1417 VanDerWaalsContact OE2-CZ 3.25Å; E1414-R1417 IonicContact OE2-NE 3.47Å; E1414-R1417 PolarHBondContact OE2-NE 3.45Å; E1414-R1417 VanDerWaalsContact OE2-NE 3.17Å; E1414-R1417 IonicContact OE2-NH2 3.31Å; E1414-R1417 PolarHBondContact OE2-NH2 3.27Å; E1414-H1418 WeakPolarHBondContact O-CB 3.32Å; E1414-H1418 PolarHBondContact O-CD2 3.07Å; E1414-H1418 PolarHBondContact O-N 3.14Å; E1414-H1418 PolarHBondContact O-ND1 2.97Å; E1414-H1418 IonicContact OE1-CE1 3.38Å; E1414-H1418 PolarHBondContact OE1-CE1 3.03Å; E1414-H1418 IonicContact OE1-ND1 2.66Å; E1414-H1418 IonicContact OE2-CE1 3.2Å; E1414-H1418 IonicContact OE2-ND1 2.7Å |
| 1415 | L | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -49.4 | 175.6 | -179.7 | 61.5 | 0 | 0 | 0 | 111.7 | V1379 I1383 V1411 M1412 Y1413 R1417 H1418 I1419 F1442 F1445 L1446 I1449 | V1379-L1415 HydrophobicContact CG1-CB 4.41Å; V1379-L1415 HydrophobicContact CG1-CD1 4.18Å; V1379-L1415 HydrophobicContact CG2-CB 4.08Å; V1379-L1415 HydrophobicContact CG2-CD1 4.48Å; I1383-L1415 HydrophobicContact CD1-CD1 4.4Å; V1411-L1415 WeakPolarHBondContact O-CB 3.38Å; V1411-L1415 PolarHBondContact O-N 3.19Å; M1412-L1415 PolarHBondContact O-N 3.29Å; Y1413-L1415 VanDerWaalsContact C-N 3.34Å; Y1413-L1415 PolarHBondContact O-N 3Å; L1415-R1417 VanDerWaalsContact C-N 3.3Å; L1415-R1417 PolarHBondContact O-N 3.28Å; L1415-H1418 PolarHBondContact O-N 2.99Å; L1415-I1419 HydrophobicContact CD1-CD1 4.21Å; L1415-I1419 HydrophobicContact CG-CD1 3.98Å; L1415-I1419 VanDerWaalsContact O-CG1 3.28Å; L1415-I1419 WeakPolarHBondContact O-CG1 3.29Å; L1415-I1419 PolarHBondContact O-N 3.14Å; L1415-F1442 HydrophobicContact CD1-CB 3.92Å; L1415-F1442 HydrophobicContact CD1-CD1 3.41Å; L1415-F1442 VanDerWaalsContact CD1-CD1 3.44Å; L1415-F1442 HydrophobicContact CD1-CE1 4.09Å; L1415-F1442 HydrophobicContact CD1-CG 3.84Å; L1415-F1445 HydrophobicContact CD2-CD1 3.89Å; L1415-L1446 HydrophobicContact CD2-CB 3.89Å; L1415-L1446 HydrophobicContact CD2-CD1 3.86Å; L1415-L1446 HydrophobicContact CD2-CG 4.48Å; L1415-I1449 HydrophobicContact CD2-CD1 3.86Å |
| 1416 | I | 93.4 | Very high | 89.1 | Confident | 16.6 Ų | 16.6 | 43.4 Ų | 43.4 | 9% | 0.085 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 177 | -68.5 | 158.9 | 0 | 0 | 0 | 110.1 | M1412 Y1413 H1418 I1419 K1420 D1461 | M1412-I1416 WeakPolarHBondContact O-CB 3.42Å; M1412-I1416 WeakPolarHBondContact O-CD1 3.45Å; M1412-I1416 WeakPolarHBondContact O-CG1 3.31Å; M1412-I1416 PolarHBondContact O-N 3.26Å; Y1413-I1416 PolarHBondContact O-N 3.03Å; I1416-H1418 VanDerWaalsContact C-N 3.35Å; I1416-H1418 PolarHBondContact O-N 3.41Å; I1416-I1419 PolarHBondContact O-N 3.29Å; I1416-K1420 HydrophobicContact CG2-CD 4.11Å; I1416-K1420 HydrophobicContact CG2-CG 4.28Å; I1416-K1420 WeakPolarHBondContact O-CB 3.41Å; I1416-K1420 WeakPolarHBondContact O-CG 3.38Å; I1416-K1420 PolarHBondContact O-N 3.12Å; I1416-D1461 HydrophobicContact CD1-CB 3.91Å; I1416-D1461 WeakPolarHBondContact CG2-O 3.26Å |
| 1417 | R | 91.3 | Very high | 88.4 | Confident | 65.2 Ų | 65.2 | 45.3 Ų | 45.3 | 25% | 0.246 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.7 | -169.1 | 179.7 | 106.7 | 86 | 1.8 | 111.9 | T1324 C1327 I1328 Y1413 E1414 L1415 K1420 F1421 | T1324-R1417 PolarHBondContact O-NH2 2.96Å; C1327-R1417 PolarHBondContact O-NH2 3.06Å; I1328-R1417 VanDerWaalsContact CG1-NH1 3.26Å; I1328-R1417 VanDerWaalsContact CG2-CZ 3.5Å; I1328-R1417 VanDerWaalsContact CG2-NH1 3.34Å; I1328-R1417 VanDerWaalsContact CG2-NH2 3.27Å; Y1413-R1417 VanDerWaalsContact O-CB 3.24Å; Y1413-R1417 WeakPolarHBondContact O-CB 3.4Å; Y1413-R1417 PolarHBondContact O-N 3.24Å; E1414-R1417 PolarHBondContact O-N 3.09Å; E1414-R1417 IonicContact OE1-CZ 3.44Å; E1414-R1417 IonicContact OE1-NE 3.06Å; E1414-R1417 PolarHBondContact OE1-NE 3.25Å; E1414-R1417 VanDerWaalsContact OE1-NE 3.11Å; E1414-R1417 IonicContact OE1-NH2 3.5Å; E1414-R1417 PolarHBondContact OE1-NH2 3.02Å; E1414-R1417 IonicContact OE2-CZ 3.73Å; E1414-R1417 VanDerWaalsContact OE2-CZ 3.25Å; E1414-R1417 IonicContact OE2-NE 3.47Å; E1414-R1417 PolarHBondContact OE2-NE 3.45Å; E1414-R1417 VanDerWaalsContact OE2-NE 3.17Å; E1414-R1417 IonicContact OE2-NH2 3.31Å; E1414-R1417 PolarHBondContact OE2-NH2 3.27Å; L1415-R1417 VanDerWaalsContact C-N 3.3Å; L1415-R1417 PolarHBondContact O-N 3.28Å; R1417-K1420 PolarHBondContact O-N 2.99Å; R1417-F1421 VanDerWaalsContact O-CB 3.3Å; R1417-F1421 WeakPolarHBondContact O-CB 3.3Å; R1417-F1421 PolarHBondContact O-N 3.22Å |
| 1418 | H | 90.8 | Very high | 87.3 | Confident | 13.6 Ų | 13.6 | 48.4 Ų | 48.4 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 175 | -81.6 | 101.8 | 0 | 0 | 0 | 113 | I1328 F1376 V1379 S1380 E1414 L1415 I1416 F1421 I1422 F1442 | I1328-H1418 VanDerWaalsContact CD1-CD2 3.48Å; I1328-H1418 WeakPolarHBondContact CD1-CD2 3.3Å; I1328-H1418 VanDerWaalsContact CD1-NE2 3.32Å; I1328-H1418 WeakPolarHBondContact CD1-NE2 3.31Å; F1376-H1418 AromaticContact CD2-CE1 3.9Å; F1376-H1418 AromaticContact CE2-NE2 3.87Å; V1379-H1418 HydrophobicContact CG1-CB 3.91Å; V1379-H1418 VanDerWaalsContact CG1-ND1 3.28Å; V1379-H1418 WeakPolarHBondContact CG1-ND1 3.29Å; S1380-H1418 PolarHBondContact OG-CE1 3.43Å; S1380-H1418 PolarHBondContact OG-NE2 3.06Å; E1414-H1418 WeakPolarHBondContact O-CB 3.32Å; E1414-H1418 PolarHBondContact O-CD2 3.07Å; E1414-H1418 PolarHBondContact O-N 3.14Å; E1414-H1418 PolarHBondContact O-ND1 2.97Å; E1414-H1418 IonicContact OE1-CE1 3.38Å; E1414-H1418 PolarHBondContact OE1-CE1 3.03Å; E1414-H1418 IonicContact OE1-ND1 2.66Å; E1414-H1418 IonicContact OE2-CE1 3.2Å; E1414-H1418 IonicContact OE2-ND1 2.7Å; L1415-H1418 PolarHBondContact O-N 2.99Å; I1416-H1418 VanDerWaalsContact C-N 3.35Å; I1416-H1418 PolarHBondContact O-N 3.41Å; H1418-F1421 PolarHBondContact O-N 3.24Å; H1418-I1422 WeakPolarHBondContact O-CG1 3.43Å; H1418-I1422 PolarHBondContact O-N 3.2Å; H1418-F1442 HydrophobicContact CB-CE2 3.88Å; H1418-F1442 HydrophobicContact CB-CZ 4.02Å; H1418-F1442 AromaticContact ND1-CZ 3.98Å |
| 1419 | I | 93 | Very high | 86 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -52.4 | 174.2 | -71.3 | 164.4 | 0 | 0 | 0 | 110.2 | L1415 I1416 F1421 I1422 L1423 L1439 F1442 L1446 L1462 F1485 | L1415-I1419 HydrophobicContact CD1-CD1 4.21Å; L1415-I1419 HydrophobicContact CG-CD1 3.98Å; L1415-I1419 VanDerWaalsContact O-CG1 3.28Å; L1415-I1419 WeakPolarHBondContact O-CG1 3.29Å; L1415-I1419 PolarHBondContact O-N 3.14Å; I1416-I1419 PolarHBondContact O-N 3.29Å; I1419-F1421 VanDerWaalsContact C-N 3.27Å; I1419-F1421 PolarHBondContact O-N 3.28Å; I1419-I1422 PolarHBondContact O-N 3.2Å; I1419-L1423 HydrophobicContact CG2-CD1 3.86Å; I1419-L1423 HydrophobicContact CG2-CG 4.47Å; I1419-L1423 WeakPolarHBondContact O-CG 3.31Å; I1419-L1423 PolarHBondContact O-N 3.34Å; I1419-L1439 HydrophobicContact CG1-CD1 4.45Å; I1419-L1439 HydrophobicContact CG2-CD1 4.13Å; I1419-F1442 HydrophobicContact CD1-CB 4.11Å; I1419-F1442 HydrophobicContact CG1-CB 3.78Å; I1419-F1442 HydrophobicContact CG1-CD2 4.19Å; I1419-F1442 HydrophobicContact CG1-CG 4.25Å; I1419-L1446 HydrophobicContact CD1-CD2 3.93Å; I1419-L1462 HydrophobicContact CG2-CD1 4.49Å; I1419-F1485 HydrophobicContact CD1-CE2 3.97Å; I1419-F1485 HydrophobicContact CD1-CZ 4.1Å; I1419-F1485 HydrophobicContact CG1-CE2 4.24Å; I1419-F1485 HydrophobicContact CG1-CZ 4.46Å; I1419-F1485 HydrophobicContact CG2-CE1 4.29Å; I1419-F1485 HydrophobicContact CG2-CE2 4.13Å; I1419-F1485 HydrophobicContact CG2-CZ 3.67Å |
| 1420 | K | 90.5 | Very high | 84.7 | Confident | 45.4 Ų | 45.4 | 53.9 Ų | 53.9 | 20% | 0.197 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -38 | 177.1 | -71.1 | -174.7 | 176.5 | 177.3 | 0 | 111.4 | I1416 R1417 L1423 R1424 D1460 D1461 L1563 | I1416-K1420 HydrophobicContact CG2-CD 4.11Å; I1416-K1420 HydrophobicContact CG2-CG 4.28Å; I1416-K1420 WeakPolarHBondContact O-CB 3.41Å; I1416-K1420 WeakPolarHBondContact O-CG 3.38Å; I1416-K1420 PolarHBondContact O-N 3.12Å; R1417-K1420 PolarHBondContact O-N 2.99Å; K1420-L1423 PolarHBondContact O-N 3.06Å; K1420-R1424 VanDerWaalsContact O-CB 3.28Å; K1420-R1424 WeakPolarHBondContact O-CB 3.31Å; K1420-R1424 WeakPolarHBondContact O-CD 3.26Å; K1420-R1424 VanDerWaalsContact O-CG 3.25Å; K1420-R1424 WeakPolarHBondContact O-CG 3.43Å; K1420-R1424 PolarHBondContact O-N 2.96Å; K1420-D1460 PolarHBondContact NZ-O 3.21Å; K1420-D1461 WeakPolarHBondContact CE-O 3.36Å; K1420-D1461 PolarHBondContact NZ-O 3.1Å; K1420-L1563 HydrophobicContact CB-CD2 4.17Å; K1420-L1563 HydrophobicContact CD-CD2 4.05Å; K1420-L1563 HydrophobicContact CG-CD1 4.41Å; K1420-L1563 HydrophobicContact CG-CD2 3.77Å |
| 1421 | F | 87.5 | Confident | 83.7 | Confident | 67.6 Ų | 67.6 | 52.6 Ų | 52.6 | 30% | 0.296 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.4 | -179.8 | -93.5 | 0 | 0 | 0 | 112.8 | S1326 I1328 R1417 H1418 I1419 R1424 N1425 | S1326-F1421 WeakPolarHBondContact O-CE2 3.27Å; S1326-F1421 VanDerWaalsContact O-CZ 3.27Å; S1326-F1421 WeakPolarHBondContact O-CZ 3.49Å; S1326-F1421 WeakPolarHBondContact OG-CE2 3.5Å; I1328-F1421 HydrophobicContact CD1-CB 3.89Å; I1328-F1421 HydrophobicContact CD1-CD1 3.86Å; I1328-F1421 HydrophobicContact CD1-CD2 4.01Å; I1328-F1421 HydrophobicContact CD1-CE1 4.41Å; I1328-F1421 HydrophobicContact CD1-CE2 4.39Å; I1328-F1421 HydrophobicContact CD1-CG 3.64Å; I1328-F1421 HydrophobicContact CG1-CB 4.43Å; I1328-F1421 HydrophobicContact CG1-CD1 4.28Å; I1328-F1421 HydrophobicContact CG1-CD2 3.87Å; I1328-F1421 HydrophobicContact CG1-CE1 4.35Å; I1328-F1421 HydrophobicContact CG1-CE2 4.11Å; I1328-F1421 HydrophobicContact CG1-CG 4.04Å; I1328-F1421 HydrophobicContact CG1-CZ 4.34Å; R1417-F1421 VanDerWaalsContact O-CB 3.3Å; R1417-F1421 WeakPolarHBondContact O-CB 3.3Å; R1417-F1421 PolarHBondContact O-N 3.22Å; H1418-F1421 PolarHBondContact O-N 3.24Å; I1419-F1421 VanDerWaalsContact C-N 3.27Å; I1419-F1421 PolarHBondContact O-N 3.28Å; F1421-R1424 PolarHBondContact O-N 3.34Å; F1421-N1425 VanDerWaalsContact CD2-ND2 3.31Å; F1421-N1425 WeakPolarHBondContact CD2-ND2 3.3Å; F1421-N1425 VanDerWaalsContact CE2-ND2 3.3Å; F1421-N1425 WeakPolarHBondContact CE2-ND2 3.31Å; F1421-N1425 WeakPolarHBondContact O-CB 3.32Å; F1421-N1425 PolarHBondContact O-N 3.15Å; F1421-N1425 VanDerWaalsContact O-N 3.09Å; F1421-N1425 PolarHBondContact O-ND2 3.3Å |
| 1422 | I | 87.7 | Confident | 83 | Confident | 27.6 Ų | 27.6 | 56.2 Ų | 56.2 | 14% | 0.142 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 177.9 | -69.5 | 177 | 0 | 0 | 0 | 111.1 | H1418 I1419 R1424 N1425 M1426 A1435 T1438 L1439 F1442 | H1418-I1422 WeakPolarHBondContact O-CG1 3.43Å; H1418-I1422 PolarHBondContact O-N 3.2Å; I1419-I1422 PolarHBondContact O-N 3.2Å; I1422-R1424 VanDerWaalsContact C-N 3.33Å; I1422-R1424 PolarHBondContact O-N 2.93Å; I1422-N1425 PolarHBondContact O-N 3.15Å; I1422-M1426 WeakPolarHBondContact O-CB 3.28Å; I1422-M1426 PolarHBondContact O-N 3.19Å; I1422-A1435 HydrophobicContact CG2-CB 4.32Å; I1422-T1438 HydrophobicContact CD1-CG2 3.67Å; I1422-L1439 HydrophobicContact CB-CD1 4.41Å; I1422-L1439 HydrophobicContact CG2-CB 4.34Å; I1422-L1439 HydrophobicContact CG2-CD1 4.23Å; I1422-L1439 HydrophobicContact CG2-CD2 4.5Å; I1422-F1442 HydrophobicContact CD1-CD2 3.99Å; I1422-F1442 HydrophobicContact CD1-CE2 3.65Å |
| 1423 | L | 87.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.5 | -67.7 | 170.5 | 0 | 0 | 0 | 111.1 | I1419 K1420 N1425 M1426 L1439 L1467 V1482 L1563 C1564 | I1419-L1423 HydrophobicContact CG2-CD1 3.86Å; I1419-L1423 HydrophobicContact CG2-CG 4.47Å; I1419-L1423 WeakPolarHBondContact O-CG 3.31Å; I1419-L1423 PolarHBondContact O-N 3.34Å; K1420-L1423 PolarHBondContact O-N 3.06Å; L1423-N1425 PolarHBondContact O-N 3.26Å; L1423-M1426 HydrophobicContact CD2-CE 3.98Å; L1423-M1426 VanDerWaalsContact O-CB 3.23Å; L1423-M1426 WeakPolarHBondContact O-CB 3.42Å; L1423-M1426 PolarHBondContact O-N 2.99Å; L1423-L1439 HydrophobicContact CD2-CD1 4.45Å; L1423-L1439 HydrophobicContact CD2-CD2 3.84Å; L1423-L1439 HydrophobicContact CG-CD1 4.45Å; L1423-L1467 HydrophobicContact CD1-CD1 3.92Å; L1423-L1467 HydrophobicContact CD1-CD2 3.95Å; L1423-L1467 HydrophobicContact CD2-CD1 4.43Å; L1423-V1482 HydrophobicContact CD2-CG2 3.86Å; L1423-L1563 CarbonylContact C-O 3.56Å; L1423-L1563 HydrophobicContact CB-CB 4.35Å; L1423-L1563 VanDerWaalsContact CB-O 3.29Å; L1423-L1563 WeakPolarHBondContact CB-O 3.38Å; L1423-L1563 HydrophobicContact CD1-CB 4.44Å; L1423-L1563 HydrophobicContact CD1-CD1 4.32Å; L1423-L1563 VanDerWaalsContact O-O 3.09Å; L1423-C1564 WeakPolarHBondContact O-CA 3.38Å |
| 1424 | R | 84.1 | Confident | 82.3 | Confident | 98.8 Ų | 98.8 | 61.3 Ų | 61.3 | 37% | 0.373 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.7 | -31.7 | -177.4 | -73.9 | 176.2 | 173.2 | 168.8 | -2.2 | 113.8 | K1420 F1421 I1422 M1426 I1561 E1562 L1563 F1565 | K1420-R1424 VanDerWaalsContact O-CB 3.28Å; K1420-R1424 WeakPolarHBondContact O-CB 3.31Å; K1420-R1424 WeakPolarHBondContact O-CD 3.26Å; K1420-R1424 VanDerWaalsContact O-CG 3.25Å; K1420-R1424 WeakPolarHBondContact O-CG 3.43Å; K1420-R1424 PolarHBondContact O-N 2.96Å; F1421-R1424 PolarHBondContact O-N 3.34Å; I1422-R1424 VanDerWaalsContact C-N 3.33Å; I1422-R1424 PolarHBondContact O-N 2.93Å; R1424-M1426 VanDerWaalsContact C-N 3.32Å; R1424-I1561 VanDerWaalsContact NH2-CG2 3.31Å; R1424-E1562 PolarHBondContact NE-O 3.13Å; R1424-E1562 PolarHBondContact NH2-O 3.3Å; R1424-L1563 WeakPolarHBondContact CA-O 3.34Å; R1424-L1563 HydrophobicContact CG-CD2 4.4Å; R1424-L1563 VanDerWaalsContact CG-O 3.29Å; R1424-L1563 WeakPolarHBondContact CG-O 3.26Å; R1424-L1563 PolarHBondContact N-O 3.13Å; R1424-F1565 HydrophobicContact CB-CB 4.44Å; R1424-F1565 HydrophobicContact CB-CD2 4.2Å; R1424-F1565 HydrophobicContact CG-CD2 4.23Å; R1424-F1565 HydrophobicContact CG-CE2 4.23Å; R1424-F1565 CarbonylContact O-C 3.52Å; R1424-F1565 VanDerWaalsContact O-CB 3.29Å; R1424-F1565 WeakPolarHBondContact O-CB 3.3Å; R1424-F1565 PolarHBondContact O-N 3.21Å; R1424-F1565 VanDerWaalsContact O-O 3.08Å |
| 1425 | N | 77.7 | Confident | 82.1 | Confident | 80.6 Ų | 80.6 | 61.1 Ų | 61.1 | 43% | 0.431 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 17.8 | -179 | -64.6 | -80.3 | 0 | 0 | 0 | 112.8 | F1421 I1422 L1423 R1427 | F1421-N1425 VanDerWaalsContact CD2-ND2 3.31Å; F1421-N1425 WeakPolarHBondContact CD2-ND2 3.3Å; F1421-N1425 VanDerWaalsContact CE2-ND2 3.3Å; F1421-N1425 WeakPolarHBondContact CE2-ND2 3.31Å; F1421-N1425 WeakPolarHBondContact O-CB 3.32Å; F1421-N1425 PolarHBondContact O-N 3.15Å; F1421-N1425 VanDerWaalsContact O-N 3.09Å; F1421-N1425 PolarHBondContact O-ND2 3.3Å; I1422-N1425 PolarHBondContact O-N 3.15Å; L1423-N1425 PolarHBondContact O-N 3.26Å; N1425-R1427 PolarHBondContact O-N 3.21Å |
| 1426 | M | 79.3 | Confident | 81.9 | Confident | 13.6 Ų | 13.6 | 62.7 Ų | 62.7 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | trans | -69 | 123.5 | 178.7 | -170.7 | -174.3 | -35.2 | 0 | 0 | 110.7 | I1422 L1423 R1424 L1428 I1477 P1478 Y1481 C1564 | I1422-M1426 WeakPolarHBondContact O-CB 3.28Å; I1422-M1426 PolarHBondContact O-N 3.19Å; L1423-M1426 HydrophobicContact CD2-CE 3.98Å; L1423-M1426 VanDerWaalsContact O-CB 3.23Å; L1423-M1426 WeakPolarHBondContact O-CB 3.42Å; L1423-M1426 PolarHBondContact O-N 2.99Å; R1424-M1426 VanDerWaalsContact C-N 3.32Å; M1426-L1428 PolarHBondContact O-N 3.01Å; M1426-I1477 HydrophobicContact SD-CG2 4.47Å; M1426-P1478 HydrophobicContact CE-CB 3.56Å; M1426-P1478 HydrophobicContact CE-CG 3.84Å; M1426-P1478 HydrophobicContact SD-CB 4.29Å; M1426-P1478 HydrophobicContact SD-CG 4.31Å; M1426-Y1481 VanDerWaalsContact CE-CB 3.41Å; M1426-Y1481 HydrophobicContact CE-CD1 3.95Å; M1426-Y1481 HydrophobicContact CE-CD2 4.07Å; M1426-Y1481 HydrophobicContact CE-CE1 4.49Å; M1426-Y1481 HydrophobicContact CE-CE2 4.49Å; M1426-Y1481 HydrophobicContact CE-CG 3.62Å; M1426-Y1481 VanDerWaalsContact CE-CG 3.41Å; M1426-Y1481 HydrophobicContact CG-CD1 4.26Å; M1426-Y1481 HydrophobicContact CG-CD2 4.12Å; M1426-Y1481 HydrophobicContact CG-CE1 4.06Å; M1426-Y1481 HydrophobicContact CG-CE2 3.98Å; M1426-Y1481 HydrophobicContact CG-CG 4.33Å; M1426-Y1481 VanDerWaalsContact SD-CB 3.6Å; M1426-Y1481 HydrophobicContact SD-CD1 3.98Å; M1426-Y1481 WeakPolarHBondContact SD-CD1 3.33Å; M1426-Y1481 HydrophobicContact SD-CD2 3.4Å; M1426-Y1481 VanDerWaalsContact SD-CD2 3.57Å; M1426-Y1481 WeakPolarHBondContact SD-CD2 3.35Å; M1426-Y1481 HydrophobicContact SD-CE1 4.31Å; M1426-Y1481 HydrophobicContact SD-CE2 3.76Å; M1426-Y1481 HydrophobicContact SD-CG 3.51Å; M1426-Y1481 VanDerWaalsContact SD-CG 3.59Å; M1426-C1564 HydrophobicContact CE-CB 4.12Å | ||
| 1427 | R | 71.3 | Confident | 81.8 | Confident | 125.4 Ų | 125.4 | 64.3 Ų | 64.3 | 47% | 0.473 | 31% | 0.306 | S | S | . | . | trans | -78 | 127.8 | 175.4 | -86.9 | -179.2 | 86.4 | 142.8 | 3.1 | 111 | N1425 D1429 K1430 | N1425-R1427 PolarHBondContact O-N 3.21Å; R1427-D1429 VanDerWaalsContact C-N 3.29Å; R1427-D1429 VanDerWaalsContact CB-OD1 3.27Å; R1427-D1429 WeakPolarHBondContact CB-OD1 3.36Å; R1427-D1429 WeakPolarHBondContact CD-OD1 3.07Å; R1427-D1429 WeakPolarHBondContact CG-OD1 3.42Å; R1427-D1429 IonicContact CZ-OD1 3.84Å; R1427-D1429 IonicContact CZ-OD2 3.16Å; R1427-D1429 VanDerWaalsContact CZ-OD2 3.23Å; R1427-D1429 VanDerWaalsContact NE-CG 3.3Å; R1427-D1429 IonicContact NE-OD1 3.18Å; R1427-D1429 PolarHBondContact NE-OD1 2.94Å; R1427-D1429 IonicContact NE-OD2 3.37Å; R1427-D1429 PolarHBondContact NE-OD2 3.08Å; R1427-D1429 IonicContact NH2-OD1 2.97Å; R1427-D1429 PolarHBondContact NH2-OD1 2.78Å; R1427-D1429 IonicContact NH2-OD2 3.18Å; R1427-D1429 PolarHBondContact NH2-OD2 3.24Å; R1427-D1429 PolarHBondContact O-N 3.34Å; R1427-K1430 VanDerWaalsContact O-O 3.07Å | ||
| 1428 | L | 65.5 | Low | 81.8 | Confident | 66.2 Ų | 66.2 | 62.1 Ų | 62.1 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -83.5 | -20.2 | 176.4 | -134.4 | 72 | 0 | 0 | 0 | 112.6 | M1426 I1477 P1478 F1565 V1566 | M1426-L1428 PolarHBondContact O-N 3.01Å; L1428-I1477 HydrophobicContact CD1-CB 4.06Å; L1428-I1477 HydrophobicContact CD1-CD1 4.09Å; L1428-I1477 HydrophobicContact CD1-CG2 4.39Å; L1428-I1477 HydrophobicContact CG-CD1 4.3Å; L1428-I1477 WeakPolarHBondContact O-CD1 3.41Å; L1428-P1478 HydrophobicContact CD1-CG 4.06Å; L1428-P1478 HydrophobicContact CD2-CG 4.31Å; L1428-P1478 HydrophobicContact CG-CG 4.09Å; L1428-F1565 WeakPolarHBondContact CD1-O 3.25Å; L1428-V1566 HydrophobicContact CB-CG1 4.49Å; L1428-V1566 HydrophobicContact CD1-CG1 4.42Å; L1428-V1566 HydrophobicContact CD1-CG2 3.83Å; L1428-V1566 HydrophobicContact CD2-CG1 4.45Å; L1428-V1566 HydrophobicContact CD2-CG2 4.22Å |
| 1429 | D | 63.4 | Low | 81.9 | Confident | 100.2 Ų | 100.2 | 61.5 Ų | 61.5 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -85.1 | -25.9 | -179.2 | 65 | -43.3 | 0 | 0 | 0 | 113.2 | R1427 | R1427-D1429 VanDerWaalsContact C-N 3.29Å; R1427-D1429 VanDerWaalsContact CB-OD1 3.27Å; R1427-D1429 WeakPolarHBondContact CB-OD1 3.36Å; R1427-D1429 WeakPolarHBondContact CD-OD1 3.07Å; R1427-D1429 WeakPolarHBondContact CG-OD1 3.42Å; R1427-D1429 IonicContact CZ-OD1 3.84Å; R1427-D1429 IonicContact CZ-OD2 3.16Å; R1427-D1429 VanDerWaalsContact CZ-OD2 3.23Å; R1427-D1429 VanDerWaalsContact NE-CG 3.3Å; R1427-D1429 IonicContact NE-OD1 3.18Å; R1427-D1429 PolarHBondContact NE-OD1 2.94Å; R1427-D1429 IonicContact NE-OD2 3.37Å; R1427-D1429 PolarHBondContact NE-OD2 3.08Å; R1427-D1429 IonicContact NH2-OD1 2.97Å; R1427-D1429 PolarHBondContact NH2-OD1 2.78Å; R1427-D1429 IonicContact NH2-OD2 3.18Å; R1427-D1429 PolarHBondContact NH2-OD2 3.24Å; R1427-D1429 PolarHBondContact O-N 3.34Å |
| 1430 | K | 64.6 | Low | 81.9 | Confident | 126 Ų | 126 | 64 Ų | 64 | 55% | 0.548 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -135.6 | 131 | -175.9 | -137.4 | -178.2 | -179.8 | -176.3 | 0 | 111.4 | R1427 D1432 | R1427-K1430 VanDerWaalsContact O-O 3.07Å; K1430-D1432 PolarHBondContact O-N 2.99Å |
| 1431 | D | 67.8 | Low | 82.1 | Confident | 77.4 Ų | 77.4 | 62.1 Ų | 62.1 | 41% | 0.414 | 30% | 0.3 | S | S | . | . | trans | -77.6 | 105.7 | 171.2 | 145 | -11.1 | 0 | 0 | 0 | 111.9 | M1433 R1436 | D1431-M1433 PolarHBondContact O-N 3.13Å; D1431-M1433 VanDerWaalsContact O-N 3.11Å; D1431-R1436 VanDerWaalsContact CB-NH1 3.34Å; D1431-R1436 VanDerWaalsContact CG-CZ 3.43Å; D1431-R1436 WeakPolarHBondContact OD1-CD 3.5Å; D1431-R1436 IonicContact OD1-CZ 3.42Å; D1431-R1436 IonicContact OD1-NE 3.44Å; D1431-R1436 PolarHBondContact OD1-NE 2.98Å; D1431-R1436 IonicContact OD1-NH1 3.41Å; D1431-R1436 PolarHBondContact OD1-NH1 2.87Å; D1431-R1436 IonicContact OD1-NH2 3.39Å; D1431-R1436 PolarHBondContact OD1-NH2 3.02Å; D1431-R1436 VanDerWaalsContact OD1-NH2 3.11Å; D1431-R1436 IonicContact OD2-CZ 3.49Å; D1431-R1436 IonicContact OD2-NE 3.61Å; D1431-R1436 IonicContact OD2-NH1 3.36Å; D1431-R1436 PolarHBondContact OD2-NH1 3.18Å; D1431-R1436 IonicContact OD2-NH2 3.52Å; D1431-R1436 PolarHBondContact OD2-NH2 3.19Å; D1431-R1436 VanDerWaalsContact OD2-NH2 3.13Å | ||
| 1432 | D | 78.4 | Confident | 82.6 | Confident | 75.8 Ų | 75.8 | 59 Ų | 59 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | trans | -85.1 | 96.4 | 171 | -174.2 | -13.5 | 0 | 0 | 0 | 110.4 | K1430 Q1434 A1435 R1436 Y1481 | K1430-D1432 PolarHBondContact O-N 2.99Å; D1432-Q1434 VanDerWaalsContact C-N 3.26Å; D1432-Q1434 PolarHBondContact O-N 3.04Å; D1432-Q1434 WeakPolarHBondContact OD1-CA 3.32Å; D1432-Q1434 WeakPolarHBondContact OD1-CB 3.41Å; D1432-Q1434 PolarHBondContact OD1-N 3.09Å; D1432-A1435 HydrophobicContact CB-CB 3.9Å; D1432-A1435 VanDerWaalsContact CG-CB 3.47Å; D1432-A1435 PolarHBondContact O-N 3.19Å; D1432-A1435 PolarHBondContact OD1-N 3.1Å; D1432-A1435 VanDerWaalsContact OD1-N 3.14Å; D1432-A1435 WeakPolarHBondContact OD2-CB 3.36Å; D1432-R1436 WeakPolarHBondContact O-CG 3.44Å; D1432-R1436 PolarHBondContact O-N 3.16Å; D1432-R1436 VanDerWaalsContact O-N 3.12Å; D1432-Y1481 VanDerWaalsContact CA-OH 3.29Å; D1432-Y1481 WeakPolarHBondContact CA-OH 3.41Å; D1432-Y1481 WeakPolarHBondContact CB-OH 3.34Å; D1432-Y1481 PolarHBondContact N-OH 3.31Å; D1432-Y1481 VanDerWaalsContact N-OH 3.09Å; D1432-Y1481 PolarHBondContact O-OH 2.97Å | ||
| 1433 | M | 83.4 | Confident | 82.9 | Confident | 145.4 Ų | 145.4 | 57.7 Ų | 57.7 | 72% | 0.716 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.1 | -31.9 | 176.4 | -100.5 | -169.9 | 110.3 | 0 | 0 | 113.1 | D1431 R1436 S1437 | D1431-M1433 PolarHBondContact O-N 3.13Å; D1431-M1433 VanDerWaalsContact O-N 3.11Å; M1433-R1436 PolarHBondContact O-N 3.04Å; M1433-S1437 WeakPolarHBondContact O-CB 3.37Å; M1433-S1437 PolarHBondContact O-N 3.11Å |
| 1434 | Q | 84.8 | Confident | 83.2 | Confident | 120.2 Ų | 120.2 | 58.8 Ų | 58.8 | 56% | 0.562 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -74.4 | -41.5 | -179.2 | -162 | 50.6 | -0.1 | 0 | 0 | 111 | D1432 R1436 S1437 T1438 | D1432-Q1434 VanDerWaalsContact C-N 3.26Å; D1432-Q1434 PolarHBondContact O-N 3.04Å; D1432-Q1434 WeakPolarHBondContact OD1-CA 3.32Å; D1432-Q1434 WeakPolarHBondContact OD1-CB 3.41Å; D1432-Q1434 PolarHBondContact OD1-N 3.09Å; Q1434-R1436 VanDerWaalsContact C-N 3.31Å; Q1434-R1436 PolarHBondContact O-N 3.28Å; Q1434-S1437 PolarHBondContact O-N 3Å; Q1434-T1438 VanDerWaalsContact O-CB 3.29Å; Q1434-T1438 WeakPolarHBondContact O-CB 3.36Å; Q1434-T1438 PolarHBondContact O-N 3.34Å; Q1434-T1438 PolarHBondContact O-OG1 3.32Å |
| 1435 | A | 88 | Confident | 83.8 | Confident | 17.8 Ų | 17.8 | 54.1 Ų | 54.1 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1422 D1432 T1438 L1439 Y1481 | I1422-A1435 HydrophobicContact CG2-CB 4.32Å; D1432-A1435 HydrophobicContact CB-CB 3.9Å; D1432-A1435 VanDerWaalsContact CG-CB 3.47Å; D1432-A1435 PolarHBondContact O-N 3.19Å; D1432-A1435 PolarHBondContact OD1-N 3.1Å; D1432-A1435 VanDerWaalsContact OD1-N 3.14Å; D1432-A1435 WeakPolarHBondContact OD2-CB 3.36Å; A1435-T1438 PolarHBondContact O-N 3.19Å; A1435-L1439 VanDerWaalsContact O-CB 3.27Å; A1435-L1439 WeakPolarHBondContact O-CB 3.21Å; A1435-L1439 PolarHBondContact O-N 2.95Å; A1435-Y1481 HydrophobicContact CB-CE1 3.9Å |
| 1436 | R | 89.5 | Confident | 84.7 | Confident | 34.2 Ų | 34.2 | 50.4 Ų | 50.4 | 13% | 0.129 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 173 | -71.3 | 177.4 | -176 | 174.7 | -4.8 | 112.7 | D1431 D1432 M1433 Q1434 T1438 L1439 K1440 Q1480 Y1481 | D1431-R1436 VanDerWaalsContact CB-NH1 3.34Å; D1431-R1436 VanDerWaalsContact CG-CZ 3.43Å; D1431-R1436 WeakPolarHBondContact OD1-CD 3.5Å; D1431-R1436 IonicContact OD1-CZ 3.42Å; D1431-R1436 IonicContact OD1-NE 3.44Å; D1431-R1436 PolarHBondContact OD1-NE 2.98Å; D1431-R1436 IonicContact OD1-NH1 3.41Å; D1431-R1436 PolarHBondContact OD1-NH1 2.87Å; D1431-R1436 IonicContact OD1-NH2 3.39Å; D1431-R1436 PolarHBondContact OD1-NH2 3.02Å; D1431-R1436 VanDerWaalsContact OD1-NH2 3.11Å; D1431-R1436 IonicContact OD2-CZ 3.49Å; D1431-R1436 IonicContact OD2-NE 3.61Å; D1431-R1436 IonicContact OD2-NH1 3.36Å; D1431-R1436 PolarHBondContact OD2-NH1 3.18Å; D1431-R1436 IonicContact OD2-NH2 3.52Å; D1431-R1436 PolarHBondContact OD2-NH2 3.19Å; D1431-R1436 VanDerWaalsContact OD2-NH2 3.13Å; D1432-R1436 WeakPolarHBondContact O-CG 3.44Å; D1432-R1436 PolarHBondContact O-N 3.16Å; D1432-R1436 VanDerWaalsContact O-N 3.12Å; M1433-R1436 PolarHBondContact O-N 3.04Å; Q1434-R1436 VanDerWaalsContact C-N 3.31Å; Q1434-R1436 PolarHBondContact O-N 3.28Å; R1436-T1438 VanDerWaalsContact C-N 3.33Å; R1436-L1439 PolarHBondContact O-N 3.21Å; R1436-K1440 VanDerWaalsContact O-CB 3.29Å; R1436-K1440 WeakPolarHBondContact O-CB 3.22Å; R1436-K1440 WeakPolarHBondContact O-CG 3.3Å; R1436-K1440 PolarHBondContact O-N 2.9Å; R1436-Q1480 VanDerWaalsContact CZ-CG 3.42Å; R1436-Q1480 PolarHBondContact NE-O 2.84Å; R1436-Q1480 VanDerWaalsContact NH1-CD 3.31Å; R1436-Q1480 VanDerWaalsContact NH1-CG 3.32Å; R1436-Q1480 VanDerWaalsContact NH2-OE1 3.08Å; R1436-Y1481 HydrophobicContact CB-CD1 4.38Å; R1436-Y1481 HydrophobicContact CB-CE1 4.34Å; R1436-Y1481 HydrophobicContact CG-CD1 3.45Å; R1436-Y1481 VanDerWaalsContact CG-CD1 3.45Å; R1436-Y1481 HydrophobicContact CG-CD2 3.78Å; R1436-Y1481 VanDerWaalsContact CG-CD2 3.41Å; R1436-Y1481 HydrophobicContact CG-CE1 3.33Å; R1436-Y1481 HydrophobicContact CG-CE2 3.7Å; R1436-Y1481 VanDerWaalsContact CG-CE2 3.44Å; R1436-Y1481 HydrophobicContact CG-CG 3.68Å |
| 1437 | S | 91 | Very high | 85.4 | Confident | 48.8 Ų | 48.8 | 49.7 Ų | 49.7 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 178 | -171.8 | 0 | 0 | 0 | 0 | 111 | M1433 Q1434 L1439 K1440 N1441 | M1433-S1437 WeakPolarHBondContact O-CB 3.37Å; M1433-S1437 PolarHBondContact O-N 3.11Å; Q1434-S1437 PolarHBondContact O-N 3Å; S1437-L1439 PolarHBondContact O-N 3.1Å; S1437-K1440 PolarHBondContact O-N 3.27Å; S1437-N1441 WeakPolarHBondContact O-CB 3.34Å; S1437-N1441 VanDerWaalsContact O-CG 3.26Å; S1437-N1441 PolarHBondContact O-N 3.22Å; S1437-N1441 PolarHBondContact O-ND2 2.98Å |
| 1438 | T | 91.9 | Very high | 86.5 | Confident | 19.2 Ų | 19.2 | 44.6 Ų | 44.6 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 176.7 | -59 | 0 | 0 | 0 | 0 | 111.7 | P1384 I1422 Q1434 A1435 R1436 K1440 N1441 F1442 | P1384-T1438 HydrophobicContact CB-CG2 3.84Å; P1384-T1438 HydrophobicContact CG-CG2 4.06Å; I1422-T1438 HydrophobicContact CD1-CG2 3.67Å; Q1434-T1438 VanDerWaalsContact O-CB 3.29Å; Q1434-T1438 WeakPolarHBondContact O-CB 3.36Å; Q1434-T1438 PolarHBondContact O-N 3.34Å; Q1434-T1438 PolarHBondContact O-OG1 3.32Å; A1435-T1438 PolarHBondContact O-N 3.19Å; R1436-T1438 VanDerWaalsContact C-N 3.33Å; T1438-K1440 PolarHBondContact O-N 3.21Å; T1438-N1441 WeakPolarHBondContact O-CB 3.42Å; T1438-N1441 PolarHBondContact O-N 3.33Å; T1438-N1441 VanDerWaalsContact O-N 3.17Å; T1438-F1442 HydrophobicContact CG2-CD2 3.9Å; T1438-F1442 HydrophobicContact CG2-CE1 4.47Å; T1438-F1442 HydrophobicContact CG2-CE2 3.46Å; T1438-F1442 VanDerWaalsContact CG2-CE2 3.43Å; T1438-F1442 HydrophobicContact CG2-CZ 3.87Å; T1438-F1442 WeakPolarHBondContact O-CD2 3.35Å; T1438-F1442 WeakPolarHBondContact O-CG 3.33Å; T1438-F1442 PolarHBondContact O-N 3.31Å |
| 1439 | L | 93.8 | Very high | 87.8 | Confident | 0.4 Ų | 0.4 | 41.6 Ų | 41.6 | 0% | 0.002 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 178 | -169.4 | 68.7 | 0 | 0 | 0 | 111.4 | I1419 I1422 L1423 A1435 R1436 S1437 N1441 F1442 G1443 Y1481 F1485 | I1419-L1439 HydrophobicContact CG1-CD1 4.45Å; I1419-L1439 HydrophobicContact CG2-CD1 4.13Å; I1422-L1439 HydrophobicContact CB-CD1 4.41Å; I1422-L1439 HydrophobicContact CG2-CB 4.34Å; I1422-L1439 HydrophobicContact CG2-CD1 4.23Å; I1422-L1439 HydrophobicContact CG2-CD2 4.5Å; L1423-L1439 HydrophobicContact CD2-CD1 4.45Å; L1423-L1439 HydrophobicContact CD2-CD2 3.84Å; L1423-L1439 HydrophobicContact CG-CD1 4.45Å; A1435-L1439 VanDerWaalsContact O-CB 3.27Å; A1435-L1439 WeakPolarHBondContact O-CB 3.21Å; A1435-L1439 PolarHBondContact O-N 2.95Å; R1436-L1439 PolarHBondContact O-N 3.21Å; S1437-L1439 PolarHBondContact O-N 3.1Å; L1439-N1441 VanDerWaalsContact C-N 3.28Å; L1439-N1441 PolarHBondContact O-N 3.39Å; L1439-F1442 PolarHBondContact O-N 3.11Å; L1439-G1443 PolarHBondContact O-N 3.01Å; L1439-Y1481 HydrophobicContact CD2-CD1 4.34Å; L1439-F1485 HydrophobicContact CD1-CD2 4.02Å; L1439-F1485 HydrophobicContact CD1-CE2 4.28Å; L1439-F1485 HydrophobicContact CD1-CG 4.32Å; L1439-F1485 HydrophobicContact CD2-CB 3.91Å; L1439-F1485 HydrophobicContact CD2-CG 4.18Å; L1439-F1485 HydrophobicContact CG-CB 3.87Å; L1439-F1485 HydrophobicContact CG-CD2 3.81Å; L1439-F1485 HydrophobicContact CG-CG 3.89Å; L1439-F1485 VanDerWaalsContact O-CD2 3.29Å; L1439-F1485 WeakPolarHBondContact O-CD2 3.35Å |
| 1440 | K | 93.3 | Very high | 89.2 | Confident | 52.8 Ų | 52.8 | 37.1 Ų | 37.1 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 172.8 | -87.7 | -177.1 | 73.8 | 164.1 | 0 | 111.9 | R1436 S1437 T1438 G1443 S1444 P1484 R1488 E1529 | R1436-K1440 VanDerWaalsContact O-CB 3.29Å; R1436-K1440 WeakPolarHBondContact O-CB 3.22Å; R1436-K1440 WeakPolarHBondContact O-CG 3.3Å; R1436-K1440 PolarHBondContact O-N 2.9Å; S1437-K1440 PolarHBondContact O-N 3.27Å; T1438-K1440 PolarHBondContact O-N 3.21Å; K1440-G1443 PolarHBondContact O-N 3.21Å; K1440-S1444 WeakPolarHBondContact O-CB 3.31Å; K1440-S1444 PolarHBondContact O-N 3.1Å; K1440-P1484 HydrophobicContact CD-CB 3.74Å; K1440-P1484 HydrophobicContact CG-CB 3.73Å; K1440-R1488 HydrophobicContact CB-CG 4.42Å; K1440-R1488 HydrophobicContact CD-CG 4.38Å; K1440-R1488 HydrophobicContact CG-CG 3.59Å; K1440-E1529 VanDerWaalsContact NZ-CD 3.28Å; K1440-E1529 IonicContact NZ-OE1 3.39Å; K1440-E1529 PolarHBondContact NZ-OE1 2.99Å; K1440-E1529 VanDerWaalsContact NZ-OE1 3.1Å; K1440-E1529 IonicContact NZ-OE2 2.95Å; K1440-E1529 PolarHBondContact NZ-OE2 3.35Å; K1440-E1529 VanDerWaalsContact NZ-OE2 3.11Å |
| 1441 | N | 94.8 | Very high | 90.6 | Very high | 5.8 Ų | 5.8 | 31.1 Ų | 31.1 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 176.7 | -72.3 | -11.7 | 0 | 0 | 0 | 111.5 | P1384 Q1387 H1390 S1437 T1438 L1439 G1443 S1444 F1445 | P1384-N1441 PolarHBondContact O-ND2 3.13Å; Q1387-N1441 VanDerWaalsContact CD-OD1 3.28Å; Q1387-N1441 VanDerWaalsContact CG-OD1 3.3Å; Q1387-N1441 WeakPolarHBondContact CG-OD1 3.42Å; Q1387-N1441 PolarHBondContact NE2-OD1 3.29Å; Q1387-N1441 PolarHBondContact OE1-OD1 3.12Å; H1390-N1441 PolarHBondContact CE1-O 3.24Å; H1390-N1441 VanDerWaalsContact CE1-O 3.24Å; S1437-N1441 WeakPolarHBondContact O-CB 3.34Å; S1437-N1441 VanDerWaalsContact O-CG 3.26Å; S1437-N1441 PolarHBondContact O-N 3.22Å; S1437-N1441 PolarHBondContact O-ND2 2.98Å; T1438-N1441 WeakPolarHBondContact O-CB 3.42Å; T1438-N1441 PolarHBondContact O-N 3.33Å; T1438-N1441 VanDerWaalsContact O-N 3.17Å; L1439-N1441 VanDerWaalsContact C-N 3.28Å; L1439-N1441 PolarHBondContact O-N 3.39Å; N1441-G1443 VanDerWaalsContact C-N 3.34Å; N1441-G1443 PolarHBondContact O-N 3.24Å; N1441-S1444 PolarHBondContact O-N 3.15Å; N1441-F1445 PolarHBondContact O-N 2.95Å |
| 1442 | F | 96.2 | Very high | 91.8 | Very high | 2.8 Ų | 2.8 | 27.8 Ų | 27.8 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 172 | -71 | -33.9 | 0 | 0 | 0 | 112.8 | V1379 I1383 P1384 L1415 H1418 I1419 I1422 T1438 L1439 S1444 F1445 L1446 | V1379-F1442 HydrophobicContact CG1-CE1 3.8Å; V1379-F1442 HydrophobicContact CG1-CZ 4.06Å; V1379-F1442 VanDerWaalsContact O-CE1 3.24Å; V1379-F1442 WeakPolarHBondContact O-CE1 3.3Å; V1379-F1442 WeakPolarHBondContact O-CZ 3.45Å; I1383-F1442 HydrophobicContact CB-CD1 4.31Å; I1383-F1442 HydrophobicContact CB-CE1 4.17Å; I1383-F1442 HydrophobicContact CG2-CD1 3.62Å; I1383-F1442 HydrophobicContact CG2-CE1 3.99Å; P1384-F1442 HydrophobicContact CG-CE1 3.75Å; P1384-F1442 HydrophobicContact CG-CZ 3.7Å; L1415-F1442 HydrophobicContact CD1-CB 3.92Å; L1415-F1442 HydrophobicContact CD1-CD1 3.41Å; L1415-F1442 VanDerWaalsContact CD1-CD1 3.44Å; L1415-F1442 HydrophobicContact CD1-CE1 4.09Å; L1415-F1442 HydrophobicContact CD1-CG 3.84Å; H1418-F1442 HydrophobicContact CB-CE2 3.88Å; H1418-F1442 HydrophobicContact CB-CZ 4.02Å; H1418-F1442 AromaticContact ND1-CZ 3.98Å; I1419-F1442 HydrophobicContact CD1-CB 4.11Å; I1419-F1442 HydrophobicContact CG1-CB 3.78Å; I1419-F1442 HydrophobicContact CG1-CD2 4.19Å; I1419-F1442 HydrophobicContact CG1-CG 4.25Å; I1422-F1442 HydrophobicContact CD1-CD2 3.99Å; I1422-F1442 HydrophobicContact CD1-CE2 3.65Å; T1438-F1442 HydrophobicContact CG2-CD2 3.9Å; T1438-F1442 HydrophobicContact CG2-CE1 4.47Å; T1438-F1442 HydrophobicContact CG2-CE2 3.46Å; T1438-F1442 VanDerWaalsContact CG2-CE2 3.43Å; T1438-F1442 HydrophobicContact CG2-CZ 3.87Å; T1438-F1442 WeakPolarHBondContact O-CD2 3.35Å; T1438-F1442 WeakPolarHBondContact O-CG 3.33Å; T1438-F1442 PolarHBondContact O-N 3.31Å; L1439-F1442 PolarHBondContact O-N 3.11Å; F1442-S1444 PolarHBondContact O-N 3.41Å; F1442-F1445 PolarHBondContact O-N 3.08Å; F1442-L1446 VanDerWaalsContact O-CB 3.23Å; F1442-L1446 WeakPolarHBondContact O-CB 3.41Å; F1442-L1446 PolarHBondContact O-N 3.25Å |
| 1443 | G | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1439 K1440 N1441 L1446 G1447 F1485 R1488 V1489 | L1439-G1443 PolarHBondContact O-N 3.01Å; K1440-G1443 PolarHBondContact O-N 3.21Å; N1441-G1443 VanDerWaalsContact C-N 3.34Å; N1441-G1443 PolarHBondContact O-N 3.24Å; G1443-L1446 PolarHBondContact O-N 3.05Å; G1443-G1447 PolarHBondContact O-N 3.06Å; G1443-F1485 VanDerWaalsContact CA-CD2 3.48Å; G1443-F1485 VanDerWaalsContact CA-CE2 3.44Å; G1443-R1488 CarbonylContact O-C 3.53Å; G1443-V1489 VanDerWaalsContact CA-CG2 3.48Å; G1443-V1489 WeakPolarHBondContact O-CA 3.38Å; G1443-V1489 WeakPolarHBondContact O-CG2 3.41Å; G1443-V1489 PolarHBondContact O-N 3.15Å |
| 1444 | S | 94.6 | Very high | 92.8 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 17% | 0.168 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 176 | -163.1 | 0 | 0 | 0 | 0 | 111.3 | K1440 N1441 F1442 G1447 L1448 | K1440-S1444 WeakPolarHBondContact O-CB 3.31Å; K1440-S1444 PolarHBondContact O-N 3.1Å; N1441-S1444 PolarHBondContact O-N 3.15Å; F1442-S1444 PolarHBondContact O-N 3.41Å; S1444-G1447 PolarHBondContact O-N 3.26Å; S1444-L1448 WeakPolarHBondContact O-CG 3.43Å; S1444-L1448 PolarHBondContact O-N 3.12Å; S1444-L1448 VanDerWaalsContact O-N 3.14Å |
| 1445 | F | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 179 | -170.1 | -107.2 | 0 | 0 | 0 | 112.1 | L1378 I1383 H1390 F1393 A1394 L1397 V1411 L1415 N1441 F1442 G1447 L1448 I1449 | L1378-F1445 HydrophobicContact CD2-CZ 4.47Å; I1383-F1445 HydrophobicContact CD1-CD1 3.29Å; I1383-F1445 HydrophobicContact CD1-CD2 4.48Å; I1383-F1445 HydrophobicContact CD1-CE1 3.28Å; I1383-F1445 HydrophobicContact CD1-CE2 4.44Å; I1383-F1445 HydrophobicContact CD1-CG 3.93Å; I1383-F1445 HydrophobicContact CD1-CZ 3.94Å; I1383-F1445 HydrophobicContact CG1-CD1 3.99Å; I1383-F1445 HydrophobicContact CG1-CD2 4.38Å; I1383-F1445 HydrophobicContact CG1-CE1 4.11Å; I1383-F1445 HydrophobicContact CG1-CE2 4.49Å; I1383-F1445 HydrophobicContact CG1-CG 4.12Å; I1383-F1445 HydrophobicContact CG1-CZ 4.38Å; I1383-F1445 HydrophobicContact CG2-CB 3.73Å; I1383-F1445 HydrophobicContact CG2-CD1 4.3Å; I1383-F1445 HydrophobicContact CG2-CG 4.01Å; H1390-F1445 HydrophobicContact CB-CD2 4.03Å; F1393-F1445 HydrophobicContact CB-CE2 3.68Å; F1393-F1445 HydrophobicContact CB-CZ 4.16Å; A1394-F1445 HydrophobicContact CB-CE2 4.37Å; L1397-F1445 HydrophobicContact CD1-CE1 4.11Å; L1397-F1445 HydrophobicContact CD1-CZ 3.64Å; V1411-F1445 HydrophobicContact CG1-CE1 4.38Å; L1415-F1445 HydrophobicContact CD2-CD1 3.89Å; N1441-F1445 PolarHBondContact O-N 2.95Å; F1442-F1445 PolarHBondContact O-N 3.08Å; F1445-G1447 VanDerWaalsContact C-N 3.32Å; F1445-G1447 PolarHBondContact O-N 3.16Å; F1445-L1448 WeakPolarHBondContact O-CB 3.22Å; F1445-L1448 PolarHBondContact O-N 3.12Å; F1445-L1448 VanDerWaalsContact O-N 3.11Å; F1445-I1449 HydrophobicContact CD1-CD1 4.05Å; F1445-I1449 HydrophobicContact CD1-CG1 4.39Å; F1445-I1449 HydrophobicContact CD1-CG2 4.38Å; F1445-I1449 HydrophobicContact CD2-CG2 4.47Å; F1445-I1449 HydrophobicContact CE1-CD1 3.75Å; F1445-I1449 HydrophobicContact CE1-CG1 4.38Å; F1445-I1449 HydrophobicContact CE1-CG2 3.87Å; F1445-I1449 HydrophobicContact CE2-CG2 3.96Å; F1445-I1449 HydrophobicContact CZ-CG2 3.66Å; F1445-I1449 WeakPolarHBondContact O-CG1 3.37Å; F1445-I1449 PolarHBondContact O-N 3.11Å |
| 1446 | L | 95.9 | Very high | 93.2 | Very high | 1.4 Ų | 1.4 | 25.4 Ų | 25.4 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.3 | -47.1 | 176.2 | -178.9 | 64.6 | 0 | 0 | 0 | 110.9 | M1412 L1415 I1419 F1442 G1443 L1448 I1449 T1450 L1462 F1485 V1489 | M1412-L1446 HydrophobicContact SD-CD1 4.15Å; L1415-L1446 HydrophobicContact CD2-CB 3.89Å; L1415-L1446 HydrophobicContact CD2-CD1 3.86Å; L1415-L1446 HydrophobicContact CD2-CG 4.48Å; I1419-L1446 HydrophobicContact CD1-CD2 3.93Å; F1442-L1446 VanDerWaalsContact O-CB 3.23Å; F1442-L1446 WeakPolarHBondContact O-CB 3.41Å; F1442-L1446 PolarHBondContact O-N 3.25Å; G1443-L1446 PolarHBondContact O-N 3.05Å; L1446-L1448 VanDerWaalsContact C-N 3.32Å; L1446-L1448 PolarHBondContact O-N 3.24Å; L1446-I1449 PolarHBondContact O-N 3.22Å; L1446-T1450 HydrophobicContact CD1-CG2 3.84Å; L1446-T1450 HydrophobicContact CG-CG2 4.48Å; L1446-T1450 WeakPolarHBondContact O-CB 3.39Å; L1446-T1450 PolarHBondContact O-N 3.26Å; L1446-T1450 PolarHBondContact O-OG1 3.23Å; L1446-L1462 HydrophobicContact CD2-CD2 3.9Å; L1446-F1485 HydrophobicContact CD2-CZ 4.47Å; L1446-V1489 HydrophobicContact CB-CG2 4.48Å; L1446-V1489 HydrophobicContact CD2-CG1 4.38Å; L1446-V1489 HydrophobicContact CD2-CG2 4.07Å |
| 1447 | G | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1443 S1444 F1445 L1451 A1452 V1489 | G1443-G1447 PolarHBondContact O-N 3.06Å; S1444-G1447 PolarHBondContact O-N 3.26Å; F1445-G1447 VanDerWaalsContact C-N 3.32Å; F1445-G1447 PolarHBondContact O-N 3.16Å; G1447-L1451 PolarHBondContact O-N 3.33Å; G1447-L1451 VanDerWaalsContact O-N 3.13Å; G1447-A1452 PolarHBondContact O-N 3.19Å; G1447-V1489 WeakPolarHBondContact CA-O 3.4Å |
| 1448 | L | 94.2 | Very high | 93.1 | Very high | 18.8 Ų | 18.8 | 26.6 Ų | 26.6 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | 177.3 | -73.2 | 168.2 | 0 | 0 | 0 | 113.1 | H1390 D1391 A1394 S1444 F1445 L1446 R1453 | H1390-L1448 HydrophobicContact CB-CD1 3.77Å; D1391-L1448 WeakPolarHBondContact OD1-CD1 3.4Å; D1391-L1448 WeakPolarHBondContact OD1-CD2 3.23Å; A1394-L1448 HydrophobicContact CB-CB 4.25Å; S1444-L1448 WeakPolarHBondContact O-CG 3.43Å; S1444-L1448 PolarHBondContact O-N 3.12Å; S1444-L1448 VanDerWaalsContact O-N 3.14Å; F1445-L1448 WeakPolarHBondContact O-CB 3.22Å; F1445-L1448 PolarHBondContact O-N 3.12Å; F1445-L1448 VanDerWaalsContact O-N 3.11Å; L1446-L1448 VanDerWaalsContact C-N 3.32Å; L1446-L1448 PolarHBondContact O-N 3.24Å; L1448-R1453 WeakPolarHBondContact O-CG 3.45Å |
| 1449 | I | 93.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -85.5 | -15.8 | -178.2 | 63.8 | 167.7 | 0 | 0 | 0 | 113.7 | A1394 L1397 R1408 V1411 M1412 L1415 F1445 L1446 | A1394-I1449 HydrophobicContact CB-CG2 3.89Å; L1397-I1449 HydrophobicContact CD1-CG2 4.15Å; L1397-I1449 HydrophobicContact CD2-CB 4.44Å; L1397-I1449 HydrophobicContact CD2-CD1 4.5Å; L1397-I1449 HydrophobicContact CD2-CG2 3.93Å; R1408-I1449 PolarHBondContact NH1-O 2.86Å; V1411-I1449 HydrophobicContact CG1-CD1 4.48Å; M1412-I1449 HydrophobicContact CE-CB 3.85Å; M1412-I1449 HydrophobicContact CE-CD1 3.5Å; M1412-I1449 VanDerWaalsContact CE-CD1 3.48Å; M1412-I1449 HydrophobicContact CE-CG1 3.45Å; M1412-I1449 VanDerWaalsContact CE-CG1 3.42Å; M1412-I1449 VanDerWaalsContact CE-O 3.27Å; M1412-I1449 WeakPolarHBondContact CE-O 3.33Å; M1412-I1449 HydrophobicContact CG-CD1 4.3Å; M1412-I1449 HydrophobicContact SD-CD1 3.36Å; M1412-I1449 WeakPolarHBondContact SD-CD1 3.39Å; M1412-I1449 HydrophobicContact SD-CG1 3.79Å; L1415-I1449 HydrophobicContact CD2-CD1 3.86Å; F1445-I1449 HydrophobicContact CD1-CD1 4.05Å; F1445-I1449 HydrophobicContact CD1-CG1 4.39Å; F1445-I1449 HydrophobicContact CD1-CG2 4.38Å; F1445-I1449 HydrophobicContact CD2-CG2 4.47Å; F1445-I1449 HydrophobicContact CE1-CD1 3.75Å; F1445-I1449 HydrophobicContact CE1-CG1 4.38Å; F1445-I1449 HydrophobicContact CE1-CG2 3.87Å; F1445-I1449 HydrophobicContact CE2-CG2 3.96Å; F1445-I1449 HydrophobicContact CZ-CG2 3.66Å; F1445-I1449 WeakPolarHBondContact O-CG1 3.37Å; F1445-I1449 PolarHBondContact O-N 3.11Å; L1446-I1449 PolarHBondContact O-N 3.22Å |
| 1450 | T | 92.9 | Very high | 92.1 | Very high | 5.8 Ų | 5.8 | 37.4 Ų | 37.4 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -85.8 | 175.9 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | M1412 L1446 A1452 R1453 N1454 K1455 V1457 | M1412-T1450 HydrophobicContact CE-CG2 3.37Å; M1412-T1450 VanDerWaalsContact CE-CG2 3.48Å; M1412-T1450 HydrophobicContact SD-CG2 3.61Å; M1412-T1450 VanDerWaalsContact SD-CG2 3.6Å; L1446-T1450 HydrophobicContact CD1-CG2 3.84Å; L1446-T1450 HydrophobicContact CG-CG2 4.48Å; L1446-T1450 WeakPolarHBondContact O-CB 3.39Å; L1446-T1450 PolarHBondContact O-N 3.26Å; L1446-T1450 PolarHBondContact O-OG1 3.23Å; T1450-A1452 PolarHBondContact O-N 3.24Å; T1450-R1453 CarbonylContact O-C 3.58Å; T1450-R1453 WeakPolarHBondContact O-CA 3.36Å; T1450-R1453 PolarHBondContact O-N 2.91Å; T1450-N1454 PolarHBondContact O-N 3.05Å; T1450-K1455 CarbonylContact C-O 3.55Å; T1450-K1455 WeakPolarHBondContact CB-O 3.02Å; T1450-K1455 WeakPolarHBondContact O-CB 3.37Å; T1450-K1455 PolarHBondContact O-N 3.08Å; T1450-V1457 HydrophobicContact CG2-CG2 4.15Å |
| 1451 | L | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -61.9 | -46.3 | -167.6 | -57.7 | -179 | 0 | 0 | 0 | 112.1 | G1447 R1453 N1454 K1455 V1457 V1489 A1493 S1496 F1499 W1505 | G1447-L1451 PolarHBondContact O-N 3.33Å; G1447-L1451 VanDerWaalsContact O-N 3.13Å; L1451-R1453 PolarHBondContact O-N 3.06Å; L1451-R1453 VanDerWaalsContact O-N 3.11Å; L1451-N1454 WeakPolarHBondContact O-CA 3.24Å; L1451-N1454 PolarHBondContact O-N 3.31Å; L1451-K1455 PolarHBondContact N-O 3.15Å; L1451-V1457 HydrophobicContact CD2-CG2 4.28Å; L1451-V1457 HydrophobicContact CG-CG2 4.5Å; L1451-V1489 HydrophobicContact CD1-CG1 4.25Å; L1451-V1489 WeakPolarHBondContact CD1-O 3.29Å; L1451-A1493 HydrophobicContact CB-CB 4.37Å; L1451-A1493 HydrophobicContact CD1-CB 4.18Å; L1451-S1496 VanDerWaalsContact O-CB 3.25Å; L1451-S1496 WeakPolarHBondContact O-CB 3.19Å; L1451-S1496 PolarHBondContact O-OG 3.25Å; L1451-S1496 VanDerWaalsContact O-OG 3.13Å; L1451-F1499 HydrophobicContact CB-CD2 4.33Å; L1451-F1499 HydrophobicContact CD2-CB 4.47Å; L1451-F1499 HydrophobicContact CD2-CD1 4.23Å; L1451-F1499 HydrophobicContact CD2-CD2 3.85Å; L1451-F1499 HydrophobicContact CD2-CE1 4.46Å; L1451-F1499 HydrophobicContact CD2-CE2 4.12Å; L1451-F1499 HydrophobicContact CD2-CG 3.94Å; L1451-F1499 HydrophobicContact CD2-CZ 4.44Å; L1451-W1505 HydrophobicContact CD1-CH2 3.85Å; L1451-W1505 HydrophobicContact CD1-CZ3 3.78Å; L1451-W1505 HydrophobicContact CD2-CH2 3.94Å; L1451-W1505 HydrophobicContact CD2-CZ3 3.88Å; L1451-W1505 HydrophobicContact CG-CH2 4.49Å; L1451-W1505 HydrophobicContact CG-CZ3 4.49Å |
| 1452 | A | 92.7 | Very high | 91.5 | Very high | 8.4 Ų | 8.4 | 37.9 Ų | 37.9 | 7% | 0.069 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -62 | -21.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1447 T1450 N1454 G1492 E1495 | G1447-A1452 PolarHBondContact O-N 3.19Å; T1450-A1452 PolarHBondContact O-N 3.24Å; A1452-N1454 VanDerWaalsContact C-N 3.33Å; A1452-G1492 VanDerWaalsContact CA-O 3.25Å; A1452-G1492 WeakPolarHBondContact CA-O 3.34Å; A1452-G1492 WeakPolarHBondContact CB-O 3.38Å; A1452-G1492 PolarHBondContact N-O 3.14Å; A1452-E1495 HydrophobicContact CB-CB 4.09Å |
| 1453 | R | 90 | Very high | 91.2 | Very high | 91 Ų | 91 | 39.2 Ų | 39.2 | 34% | 0.343 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -99.5 | 18.6 | 174.5 | -57.6 | -49 | -174.4 | 126.7 | 6.6 | 113.7 | D1398 L1448 T1450 L1451 K1455 | D1398-R1453 IonicContact OD1-CZ 3.56Å; D1398-R1453 IonicContact OD1-NE 2.73Å; D1398-R1453 IonicContact OD1-NH1 3.31Å; D1398-R1453 PolarHBondContact OD1-NH1 3.08Å; D1398-R1453 VanDerWaalsContact OD1-NH1 3.11Å; D1398-R1453 IonicContact OD1-NH2 2.9Å; D1398-R1453 IonicContact OD2-CZ 3.41Å; D1398-R1453 IonicContact OD2-NE 2.79Å; D1398-R1453 PolarHBondContact OD2-NE 3.28Å; D1398-R1453 IonicContact OD2-NH1 2.85Å; D1398-R1453 PolarHBondContact OD2-NH1 3.2Å; D1398-R1453 IonicContact OD2-NH2 2.96Å; D1398-R1453 PolarHBondContact OD2-NH2 2.97Å; L1448-R1453 WeakPolarHBondContact O-CG 3.45Å; T1450-R1453 CarbonylContact O-C 3.58Å; T1450-R1453 WeakPolarHBondContact O-CA 3.36Å; T1450-R1453 PolarHBondContact O-N 2.91Å; L1451-R1453 PolarHBondContact O-N 3.06Å; L1451-R1453 VanDerWaalsContact O-N 3.11Å; R1453-K1455 VanDerWaalsContact C-N 3.3Å; R1453-K1455 HydrophobicContact CB-CD 4.44Å; R1453-K1455 HydrophobicContact CB-CG 4.25Å; R1453-K1455 WeakPolarHBondContact O-CG 3.45Å; R1453-K1455 PolarHBondContact O-N 3.09Å; R1453-K1455 PolarHBondContact O-NZ 3.31Å |
| 1454 | N | 92.4 | Very high | 91 | Very high | 64.6 Ų | 64.6 | 39.3 Ų | 39.3 | 35% | 0.345 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 34.7 | -178.5 | -53.1 | -54.4 | 0 | 0 | 0 | 112.8 | T1450 L1451 A1452 S1496 L1497 V1498 | T1450-N1454 PolarHBondContact O-N 3.05Å; L1451-N1454 WeakPolarHBondContact O-CA 3.24Å; L1451-N1454 PolarHBondContact O-N 3.31Å; A1452-N1454 VanDerWaalsContact C-N 3.33Å; N1454-S1496 WeakPolarHBondContact OD1-CA 3.42Å; N1454-S1496 PolarHBondContact OD1-OG 3.27Å; N1454-L1497 PolarHBondContact OD1-N 3.02Å; N1454-V1498 HydrophobicContact CB-CB 4.42Å; N1454-V1498 HydrophobicContact CB-CG2 4.1Å; N1454-V1498 PolarHBondContact OD1-N 3.02Å |
| 1455 | K | 90.9 | Very high | 90.7 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | trans | -109.7 | 131.1 | 174.9 | -55 | -173.9 | -177.5 | -81.1 | 0 | 109.7 | T1450 L1451 R1453 F1499 | T1450-K1455 CarbonylContact C-O 3.55Å; T1450-K1455 WeakPolarHBondContact CB-O 3.02Å; T1450-K1455 WeakPolarHBondContact O-CB 3.37Å; T1450-K1455 PolarHBondContact O-N 3.08Å; L1451-K1455 PolarHBondContact N-O 3.15Å; R1453-K1455 VanDerWaalsContact C-N 3.3Å; R1453-K1455 HydrophobicContact CB-CD 4.44Å; R1453-K1455 HydrophobicContact CB-CG 4.25Å; R1453-K1455 WeakPolarHBondContact O-CG 3.45Å; R1453-K1455 PolarHBondContact O-N 3.09Å; R1453-K1455 PolarHBondContact O-NZ 3.31Å; K1455-F1499 WeakPolarHBondContact O-CE2 3.45Å | ||
| 1456 | P | 90.1 | Very high | 90.3 | Very high | 77.6 Ų | 77.6 | 42.9 Ų | 42.9 | 50% | 0.504 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -69.5 | 151.4 | -179.9 | 29.1 | -34.3 | 0 | 0 | 0 | 111.4 | L1458 F1499 | P1456-L1458 HydrophobicContact CG-CD2 4.4Å; P1456-F1499 HydrophobicContact CB-CE1 4.43Å; P1456-F1499 HydrophobicContact CB-CZ 3.91Å |
| 1457 | V | 90.2 | Very high | 90 | Very high | 16.2 Ų | 16.2 | 42.9 Ų | 42.9 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 119.4 | 157.2 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | T1450 L1451 L1462 W1505 | T1450-V1457 HydrophobicContact CG2-CG2 4.15Å; L1451-V1457 HydrophobicContact CD2-CG2 4.28Å; L1451-V1457 HydrophobicContact CG-CG2 4.5Å; V1457-L1462 HydrophobicContact CG1-CB 3.97Å; V1457-W1505 HydrophobicContact CB-CZ2 4.42Å |
| 1458 | L | 88.8 | Confident | 89.8 | Confident | 93.8 Ų | 93.8 | 43 Ų | 43 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 145.7 | -178.9 | -60.8 | 178.5 | 0 | 0 | 0 | 110.6 | P1456 D1460 D1461 L1462 | P1456-L1458 HydrophobicContact CG-CD2 4.4Å; L1458-D1460 VanDerWaalsContact C-N 3.31Å; L1458-D1460 PolarHBondContact O-N 3.22Å; L1458-D1461 HydrophobicContact CB-CB 4.11Å; L1458-D1461 PolarHBondContact O-N 3.21Å; L1458-L1462 CarbonylContact O-C 3.55Å; L1458-L1462 PolarHBondContact O-N 3.23Å |
| 1459 | H | 83.8 | Confident | 89.5 | Confident | 116.4 Ų | 116.4 | 42.6 Ų | 42.6 | 54% | 0.539 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -45 | 179.5 | 160.1 | -31.6 | 0 | 0 | 0 | 111.9 | D1461 L1462 N1463 | H1459-D1461 VanDerWaalsContact C-N 3.27Å; H1459-D1461 PolarHBondContact O-N 3.08Å; H1459-L1462 CarbonylContact O-C 3.54Å; H1459-L1462 PolarHBondContact O-N 3.16Å; H1459-N1463 PolarHBondContact CD2-ND2 3.1Å; H1459-N1463 PolarHBondContact CE1-ND2 3.07Å; H1459-N1463 VanDerWaalsContact ND1-CG 3.3Å; H1459-N1463 PolarHBondContact ND1-ND2 2.97Å; H1459-N1463 PolarHBondContact NE2-ND2 3.15Å; H1459-N1463 PolarHBondContact O-N 3.04Å; H1459-N1463 VanDerWaalsContact O-N 3.1Å |
| 1460 | D | 82.2 | Confident | 89.1 | Confident | 128.2 Ų | 128.2 | 42.8 Ų | 42.8 | 69% | 0.686 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.9 | 179.8 | -46.3 | -30.1 | 0 | 0 | 0 | 112 | K1420 L1458 | K1420-D1460 PolarHBondContact NZ-O 3.21Å; L1458-D1460 VanDerWaalsContact C-N 3.31Å; L1458-D1460 PolarHBondContact O-N 3.22Å |
| 1461 | D | 85.7 | Confident | 88.8 | Confident | 65.2 Ų | 65.2 | 42.6 Ų | 42.6 | 35% | 0.349 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -52.1 | 174.7 | -80.4 | -29.1 | 0 | 0 | 0 | 111.2 | I1416 K1420 L1458 H1459 | I1416-D1461 HydrophobicContact CD1-CB 3.91Å; I1416-D1461 WeakPolarHBondContact CG2-O 3.26Å; K1420-D1461 WeakPolarHBondContact CE-O 3.36Å; K1420-D1461 PolarHBondContact NZ-O 3.1Å; L1458-D1461 HydrophobicContact CB-CB 4.11Å; L1458-D1461 PolarHBondContact O-N 3.21Å; H1459-D1461 VanDerWaalsContact C-N 3.27Å; H1459-D1461 PolarHBondContact O-N 3.08Å |
| 1462 | L | 89.1 | Confident | 88.4 | Confident | 5.4 Ų | 5.4 | 44.6 Ų | 44.6 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | trans | -159.7 | 96.7 | -178.6 | -175.2 | 69 | 0 | 0 | 0 | 112 | I1419 L1446 V1457 L1458 H1459 I1464 L1467 F1485 L1563 | I1419-L1462 HydrophobicContact CG2-CD1 4.49Å; L1446-L1462 HydrophobicContact CD2-CD2 3.9Å; V1457-L1462 HydrophobicContact CG1-CB 3.97Å; L1458-L1462 CarbonylContact O-C 3.55Å; L1458-L1462 PolarHBondContact O-N 3.23Å; H1459-L1462 CarbonylContact O-C 3.54Å; H1459-L1462 PolarHBondContact O-N 3.16Å; L1462-I1464 HydrophobicContact CD2-CG1 4.39Å; L1462-I1464 HydrophobicContact CG-CG1 4.42Å; L1462-I1464 PolarHBondContact O-N 3.12Å; L1462-I1464 VanDerWaalsContact O-N 3.12Å; L1462-L1467 HydrophobicContact CD1-CD2 4.28Å; L1462-F1485 HydrophobicContact CD2-CE1 4.05Å; L1462-F1485 HydrophobicContact CD2-CZ 3.78Å; L1462-L1563 HydrophobicContact CD1-CD1 4.16Å | ||
| 1463 | N | 88.9 | Confident | 88 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | trans | -76.4 | 101.4 | 170.6 | -175.3 | -10.7 | 0 | 0 | 0 | 111.5 | H1459 K1465 D1466 L1467 I1561 | H1459-N1463 PolarHBondContact CD2-ND2 3.1Å; H1459-N1463 PolarHBondContact CE1-ND2 3.07Å; H1459-N1463 VanDerWaalsContact ND1-CG 3.3Å; H1459-N1463 PolarHBondContact ND1-ND2 2.97Å; H1459-N1463 PolarHBondContact NE2-ND2 3.15Å; H1459-N1463 PolarHBondContact O-N 3.04Å; H1459-N1463 VanDerWaalsContact O-N 3.1Å; N1463-K1465 VanDerWaalsContact C-N 3.33Å; N1463-K1465 PolarHBondContact O-N 3.26Å; N1463-K1465 PolarHBondContact OD1-N 3.32Å; N1463-D1466 HydrophobicContact CB-CB 4.31Å; N1463-D1466 VanDerWaalsContact CG-CG 3.47Å; N1463-D1466 WeakPolarHBondContact ND2-CB 3.37Å; N1463-D1466 VanDerWaalsContact ND2-CG 3.26Å; N1463-D1466 PolarHBondContact ND2-OD1 3.22Å; N1463-D1466 PolarHBondContact ND2-OD2 3.1Å; N1463-D1466 VanDerWaalsContact ND2-OD2 3.11Å; N1463-D1466 PolarHBondContact OD1-N 3.06Å; N1463-L1467 VanDerWaalsContact O-CB 3.27Å; N1463-L1467 WeakPolarHBondContact O-CB 3.34Å; N1463-L1467 PolarHBondContact O-N 2.99Å; N1463-L1467 VanDerWaalsContact O-N 3.09Å; N1463-I1561 HydrophobicContact CB-CD1 3.61Å | ||
| 1464 | I | 90.9 | Very high | 87.5 | Confident | 2.4 Ų | 2.4 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | -178.3 | -66.8 | -178.2 | 0 | 0 | 0 | 113.1 | L1462 I1468 V1486 V1489 W1505 I1509 | L1462-I1464 HydrophobicContact CD2-CG1 4.39Å; L1462-I1464 HydrophobicContact CG-CG1 4.42Å; L1462-I1464 PolarHBondContact O-N 3.12Å; L1462-I1464 VanDerWaalsContact O-N 3.12Å; I1464-I1468 HydrophobicContact CG2-CD1 4.41Å; I1464-I1468 WeakPolarHBondContact O-CG1 3.37Å; I1464-I1468 PolarHBondContact O-N 3.08Å; I1464-V1486 HydrophobicContact CG2-CB 4.22Å; I1464-V1486 HydrophobicContact CG2-CG1 3.39Å; I1464-V1486 VanDerWaalsContact CG2-CG1 3.42Å; I1464-V1486 HydrophobicContact CG2-CG2 3.8Å; I1464-V1489 HydrophobicContact CD1-CB 4.41Å; I1464-V1489 HydrophobicContact CD1-CG1 3.72Å; I1464-W1505 HydrophobicContact CD1-CH2 3.82Å; I1464-W1505 HydrophobicContact CD1-CZ2 3.76Å; I1464-W1505 HydrophobicContact CG1-CZ2 4.46Å; I1464-I1509 HydrophobicContact CB-CD1 4.12Å; I1464-I1509 HydrophobicContact CD1-CD1 4.37Å; I1464-I1509 HydrophobicContact CG2-CD1 3.81Å; I1464-I1509 HydrophobicContact CG2-CG1 4.15Å; I1464-I1509 HydrophobicContact CG2-CG2 4.09Å |
| 1465 | K | 88.3 | Confident | 87 | Confident | 70.2 Ų | 70.2 | 44.7 Ų | 44.7 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.3 | -48.2 | -175.1 | -103 | -172.2 | -105.3 | 177.7 | 0 | 110.8 | N1463 L1467 I1468 Y1469 A1508 I1509 V1512 F1549 | N1463-K1465 VanDerWaalsContact C-N 3.33Å; N1463-K1465 PolarHBondContact O-N 3.26Å; N1463-K1465 PolarHBondContact OD1-N 3.32Å; K1465-L1467 VanDerWaalsContact C-N 3.3Å; K1465-L1467 PolarHBondContact O-N 3.44Å; K1465-I1468 WeakPolarHBondContact O-CA 3.27Å; K1465-I1468 WeakPolarHBondContact O-CB 3.46Å; K1465-I1468 PolarHBondContact O-N 3.18Å; K1465-I1468 VanDerWaalsContact O-N 3.1Å; K1465-Y1469 HydrophobicContact CB-CE2 4.46Å; K1465-Y1469 PolarHBondContact O-N 3.16Å; K1465-Y1469 VanDerWaalsContact O-N 3.11Å; K1465-A1508 HydrophobicContact CD-CB 4.04Å; K1465-I1509 HydrophobicContact CD-CG1 4.49Å; K1465-I1509 HydrophobicContact CG-CG1 3.88Å; K1465-V1512 HydrophobicContact CD-CG2 4.46Å; K1465-V1512 HydrophobicContact CG-CG2 4.05Å; K1465-F1549 HydrophobicContact CB-CE1 4.06Å; K1465-F1549 HydrophobicContact CB-CZ 4.11Å; K1465-F1549 HydrophobicContact CD-CD1 4.43Å; K1465-F1549 HydrophobicContact CD-CE1 4.03Å; K1465-F1549 HydrophobicContact CD-CE2 4.23Å; K1465-F1549 HydrophobicContact CD-CZ 3.85Å; K1465-F1549 HydrophobicContact CG-CD1 4.31Å; K1465-F1549 HydrophobicContact CG-CE1 3.7Å; K1465-F1549 HydrophobicContact CG-CZ 3.94Å |
| 1466 | D | 87.7 | Confident | 86.7 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70 | -31 | -179 | -66.7 | 8.2 | 0 | 0 | 0 | 111 | N1463 I1468 Y1469 E1470 H1555 L1559 I1561 | N1463-D1466 HydrophobicContact CB-CB 4.31Å; N1463-D1466 VanDerWaalsContact CG-CG 3.47Å; N1463-D1466 WeakPolarHBondContact ND2-CB 3.37Å; N1463-D1466 VanDerWaalsContact ND2-CG 3.26Å; N1463-D1466 PolarHBondContact ND2-OD1 3.22Å; N1463-D1466 PolarHBondContact ND2-OD2 3.1Å; N1463-D1466 VanDerWaalsContact ND2-OD2 3.11Å; N1463-D1466 PolarHBondContact OD1-N 3.06Å; D1466-I1468 VanDerWaalsContact C-N 3.31Å; D1466-I1468 PolarHBondContact O-N 3.22Å; D1466-Y1469 WeakPolarHBondContact O-CB 3.43Å; D1466-Y1469 PolarHBondContact O-N 3.27Å; D1466-Y1469 VanDerWaalsContact O-N 3.16Å; D1466-E1470 VanDerWaalsContact O-CB 3.29Å; D1466-E1470 WeakPolarHBondContact O-CB 3.29Å; D1466-E1470 PolarHBondContact O-N 3.23Å; D1466-H1555 IonicContact OD1-CD2 3.12Å; D1466-H1555 IonicContact OD1-CE1 3.83Å; D1466-H1555 IonicContact OD1-NE2 3.26Å; D1466-H1555 PolarHBondContact OD1-NE2 3.22Å; D1466-H1555 IonicContact OD2-NE2 3.86Å; D1466-L1559 HydrophobicContact CB-CD2 3.8Å; D1466-I1561 HydrophobicContact CB-CD1 3.76Å; D1466-I1561 HydrophobicContact CB-CG1 4.28Å |
| 1467 | L | 90 | Very high | 86.4 | Confident | 1.4 Ų | 1.4 | 43.3 Ų | 43.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -37.7 | 170.7 | -176.5 | 65.3 | 0 | 0 | 0 | 112.5 | L1423 L1462 N1463 K1465 A1471 V1482 F1485 L1563 | L1423-L1467 HydrophobicContact CD1-CD1 3.92Å; L1423-L1467 HydrophobicContact CD1-CD2 3.95Å; L1423-L1467 HydrophobicContact CD2-CD1 4.43Å; L1462-L1467 HydrophobicContact CD1-CD2 4.28Å; N1463-L1467 VanDerWaalsContact O-CB 3.27Å; N1463-L1467 WeakPolarHBondContact O-CB 3.34Å; N1463-L1467 PolarHBondContact O-N 2.99Å; N1463-L1467 VanDerWaalsContact O-N 3.09Å; K1465-L1467 VanDerWaalsContact C-N 3.3Å; K1465-L1467 PolarHBondContact O-N 3.44Å; L1467-A1471 WeakPolarHBondContact O-CB 3.39Å; L1467-A1471 PolarHBondContact O-N 3.1Å; L1467-V1482 HydrophobicContact CB-CG1 4.49Å; L1467-V1482 HydrophobicContact CD1-CG2 4.03Å; L1467-V1482 HydrophobicContact CD2-CG1 4.09Å; L1467-V1482 HydrophobicContact CD2-CG2 4.29Å; L1467-V1482 HydrophobicContact CG-CB 4.47Å; L1467-V1482 HydrophobicContact CG-CG1 3.74Å; L1467-V1482 HydrophobicContact CG-CG2 3.94Å; L1467-F1485 HydrophobicContact CD2-CD1 4.1Å; L1467-F1485 HydrophobicContact CD2-CE1 3.86Å; L1467-L1563 HydrophobicContact CD1-CB 4.15Å; L1467-L1563 HydrophobicContact CD1-CD1 4.25Å |
| 1468 | I | 90.4 | Very high | 86.3 | Confident | 1.8 Ų | 1.8 | 42.7 Ų | 42.7 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -43.7 | 173.8 | -61.1 | 161 | 0 | 0 | 0 | 110.3 | I1464 K1465 D1466 A1471 Y1472 V1482 V1486 I1509 V1512 L1513 L1516 L1550 | I1464-I1468 HydrophobicContact CG2-CD1 4.41Å; I1464-I1468 WeakPolarHBondContact O-CG1 3.37Å; I1464-I1468 PolarHBondContact O-N 3.08Å; K1465-I1468 WeakPolarHBondContact O-CA 3.27Å; K1465-I1468 WeakPolarHBondContact O-CB 3.46Å; K1465-I1468 PolarHBondContact O-N 3.18Å; K1465-I1468 VanDerWaalsContact O-N 3.1Å; D1466-I1468 VanDerWaalsContact C-N 3.31Å; D1466-I1468 PolarHBondContact O-N 3.22Å; I1468-A1471 PolarHBondContact O-N 3.06Å; I1468-Y1472 WeakPolarHBondContact O-CB 3.38Å; I1468-Y1472 PolarHBondContact O-N 3.3Å; I1468-V1482 HydrophobicContact CG1-CG1 4.33Å; I1468-V1486 HydrophobicContact CD1-CG1 4.09Å; I1468-V1486 HydrophobicContact CG1-CG1 4.39Å; I1468-V1486 HydrophobicContact CG1-CG2 4.18Å; I1468-I1509 HydrophobicContact CD1-CG2 4.13Å; I1468-V1512 HydrophobicContact CB-CG1 4.24Å; I1468-V1512 HydrophobicContact CD1-CB 4.47Å; I1468-V1512 HydrophobicContact CD1-CG1 4.07Å; I1468-V1512 HydrophobicContact CG2-CG1 3.88Å; I1468-L1513 HydrophobicContact CD1-CD2 4.01Å; I1468-L1513 HydrophobicContact CD1-CG 4.33Å; I1468-L1516 HydrophobicContact CG2-CD2 4.26Å; I1468-L1550 HydrophobicContact CG2-CD2 4.32Å |
| 1469 | Y | 87.1 | Confident | 86.3 | Confident | 11.2 Ų | 11.2 | 38.6 Ų | 38.6 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -51.9 | 177.9 | -136.1 | -60.7 | 0 | 0 | 0 | 111.1 | K1465 D1466 A1471 Y1472 Y1473 V1512 F1549 L1550 D1552 L1553 H1555 S1556 L1559 | K1465-Y1469 HydrophobicContact CB-CE2 4.46Å; K1465-Y1469 PolarHBondContact O-N 3.16Å; K1465-Y1469 VanDerWaalsContact O-N 3.11Å; D1466-Y1469 WeakPolarHBondContact O-CB 3.43Å; D1466-Y1469 PolarHBondContact O-N 3.27Å; D1466-Y1469 VanDerWaalsContact O-N 3.16Å; Y1469-A1471 VanDerWaalsContact C-N 3.3Å; Y1469-A1471 PolarHBondContact O-N 3.15Å; Y1469-Y1472 WeakPolarHBondContact O-CB 3.2Å; Y1469-Y1472 PolarHBondContact O-N 3.2Å; Y1469-Y1472 VanDerWaalsContact O-N 3.12Å; Y1469-Y1473 AromaticContact CD1-CD2 3.75Å; Y1469-Y1473 HydrophobicContact CD1-CD2 3.75Å; Y1469-Y1473 HydrophobicContact CD1-CE2 4.08Å; Y1469-Y1473 HydrophobicContact CD2-CD2 4.22Å; Y1469-Y1473 AromaticContact CD2-CE2 3.82Å; Y1469-Y1473 HydrophobicContact CD2-CE2 3.82Å; Y1469-Y1473 AromaticContact CE1-CD2 3.47Å; Y1469-Y1473 HydrophobicContact CE1-CD2 3.47Å; Y1469-Y1473 VanDerWaalsContact CE1-CD2 3.46Å; Y1469-Y1473 AromaticContact CE1-CE2 3.59Å; Y1469-Y1473 HydrophobicContact CE1-CE2 3.59Å; Y1469-Y1473 HydrophobicContact CE1-CG 4.27Å; Y1469-Y1473 AromaticContact CE2-CD2 3.93Å; Y1469-Y1473 HydrophobicContact CE2-CD2 4Å; Y1469-Y1473 AromaticContact CE2-CE2 3.31Å; Y1469-Y1473 HydrophobicContact CE2-CE2 3.31Å; Y1469-Y1473 VanDerWaalsContact CE2-CE2 3.42Å; Y1469-Y1473 HydrophobicContact CG-CD2 4.1Å; Y1469-Y1473 HydrophobicContact CG-CE2 4.18Å; Y1469-Y1473 AromaticContact CZ-CD2 3.61Å; Y1469-Y1473 AromaticContact CZ-CE2 3.17Å; Y1469-Y1473 AromaticContact CZ-CZ 3.77Å; Y1469-Y1473 WeakPolarHBondContact O-CD2 3.4Å; Y1469-Y1473 PolarHBondContact O-N 3.29Å; Y1469-Y1473 VanDerWaalsContact O-N 3.11Å; Y1469-Y1473 VanDerWaalsContact OH-CE2 3.32Å; Y1469-Y1473 WeakPolarHBondContact OH-CE2 3.4Å; Y1469-V1512 HydrophobicContact CD1-CG1 4.08Å; Y1469-V1512 HydrophobicContact CE1-CB 4.34Å; Y1469-V1512 HydrophobicContact CE1-CG1 3.53Å; Y1469-V1512 VanDerWaalsContact CE1-CG1 3.5Å; Y1469-V1512 HydrophobicContact CE1-CG2 3.81Å; Y1469-V1512 VanDerWaalsContact OH-CG2 3.29Å; Y1469-V1512 WeakPolarHBondContact OH-CG2 3.25Å; Y1469-F1549 HydrophobicContact CD2-CD1 4.4Å; Y1469-F1549 HydrophobicContact CD2-CE1 4.14Å; Y1469-F1549 HydrophobicContact CD2-CZ 4.46Å; Y1469-F1549 HydrophobicContact CE1-CB 4.15Å; Y1469-F1549 HydrophobicContact CE2-CB 4.45Å; Y1469-F1549 WeakPolarHBondContact CE2-O 3.47Å; Y1469-F1549 HydrophobicContact CG-CE1 4.42Å; Y1469-F1549 VanDerWaalsContact OH-CB 3.24Å; Y1469-F1549 WeakPolarHBondContact OH-CB 3.38Å; Y1469-F1549 VanDerWaalsContact OH-CD2 3.31Å; Y1469-F1549 WeakPolarHBondContact OH-CD2 3.19Å; Y1469-F1549 WeakPolarHBondContact OH-CG 3.49Å; Y1469-L1550 HydrophobicContact CD1-CD2 3.43Å; Y1469-L1550 HydrophobicContact CD1-CG 3.9Å; Y1469-L1550 HydrophobicContact CD2-CD2 4.22Å; Y1469-L1550 HydrophobicContact CE1-CD2 4.06Å; Y1469-L1550 HydrophobicContact CE1-CG 4Å; Y1469-L1550 HydrophobicContact CG-CD2 4.31Å; Y1469-D1552 VanDerWaalsContact CE2-O 3.27Å; Y1469-D1552 WeakPolarHBondContact CE2-O 3.29Å; Y1469-D1552 PolarHBondContact OH-O 3.05Å; Y1469-D1552 VanDerWaalsContact OH-O 3.14Å; Y1469-L1553 WeakPolarHBondContact OH-CA 3.47Å; Y1469-H1555 HydrophobicContact CD2-CB 4.32Å; Y1469-H1555 AromaticContact CD2-CD2 3.93Å; Y1469-H1555 HydrophobicContact CE2-CB 3.76Å; Y1469-H1555 AromaticContact CG-CD2 4Å; Y1469-S1556 WeakPolarHBondContact CE1-OG 3.34Å; Y1469-S1556 WeakPolarHBondContact OH-CB 3.28Å; Y1469-S1556 PolarHBondContact OH-N 3.07Å; Y1469-S1556 VanDerWaalsContact OH-N 3.09Å; Y1469-S1556 PolarHBondContact OH-OG 3.47Å; Y1469-L1559 HydrophobicContact CD1-CD1 3.98Å; Y1469-L1559 HydrophobicContact CD1-CD2 4.3Å; Y1469-L1559 HydrophobicContact CD1-CG 4.46Å; Y1469-L1559 HydrophobicContact CD2-CD2 4.2Å; Y1469-L1559 HydrophobicContact CE1-CD1 4.15Å |
| 1470 | E | 85.1 | Confident | 86.5 | Confident | 7.2 Ų | 7.2 | 34.4 Ų | 34.4 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.3 | -46.5 | 176.9 | -172.6 | -168.8 | 177.8 | 0 | 0 | 111.1 | D1466 Y1472 Y1473 K1474 L1559 I1561 E1562 L1563 C1564 | D1466-E1470 VanDerWaalsContact O-CB 3.29Å; D1466-E1470 WeakPolarHBondContact O-CB 3.29Å; D1466-E1470 PolarHBondContact O-N 3.23Å; E1470-Y1472 VanDerWaalsContact C-N 3.28Å; E1470-Y1472 PolarHBondContact O-N 3.1Å; E1470-Y1473 PolarHBondContact O-N 3.14Å; E1470-K1474 HydrophobicContact CG-CD 3.91Å; E1470-K1474 HydrophobicContact CG-CG 3.93Å; E1470-K1474 WeakPolarHBondContact O-CB 3.31Å; E1470-K1474 WeakPolarHBondContact O-CG 3.42Å; E1470-K1474 PolarHBondContact O-N 3.13Å; E1470-K1474 WeakPolarHBondContact OE1-CE 3.31Å; E1470-K1474 IonicContact OE1-NZ 3.63Å; E1470-K1474 PolarHBondContact OE1-NZ 3.1Å; E1470-L1559 HydrophobicContact CB-CD1 4.16Å; E1470-L1559 HydrophobicContact CG-CD1 4.29Å; E1470-I1561 VanDerWaalsContact OE1-O 3.1Å; E1470-I1561 VanDerWaalsContact OE2-O 3.13Å; E1470-E1562 VanDerWaalsContact OE1-CA 3.24Å; E1470-E1562 WeakPolarHBondContact OE1-CA 3.32Å; E1470-E1562 VanDerWaalsContact OE1-CB 3.32Å; E1470-E1562 WeakPolarHBondContact OE1-CB 3.42Å; E1470-L1563 VanDerWaalsContact CD-N 3.31Å; E1470-L1563 PolarHBondContact OE1-N 3.01Å; E1470-L1563 WeakPolarHBondContact OE2-CB 3.36Å; E1470-L1563 PolarHBondContact OE2-N 3.15Å; E1470-L1563 VanDerWaalsContact OE2-N 3.11Å; E1470-C1564 HydrophobicContact CG-CB 4.34Å; E1470-C1564 WeakPolarHBondContact OE1-CA 3.37Å; E1470-C1564 WeakPolarHBondContact OE1-CB 3.39Å; E1470-C1564 PolarHBondContact OE1-N 3.16Å; E1470-C1564 PolarHBondContact OE2-N 3.24Å |
| 1471 | A | 87.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L1467 I1468 Y1469 G1475 P1478 T1479 V1482 | L1467-A1471 WeakPolarHBondContact O-CB 3.39Å; L1467-A1471 PolarHBondContact O-N 3.1Å; I1468-A1471 PolarHBondContact O-N 3.06Å; Y1469-A1471 VanDerWaalsContact C-N 3.3Å; Y1469-A1471 PolarHBondContact O-N 3.15Å; A1471-G1475 PolarHBondContact O-N 3.17Å; A1471-P1478 HydrophobicContact CB-CB 4.14Å; A1471-T1479 VanDerWaalsContact C-OG1 3.31Å; A1471-T1479 PolarHBondContact O-N 3.13Å; A1471-T1479 PolarHBondContact O-OG1 3.18Å; A1471-V1482 HydrophobicContact CB-CB 3.66Å; A1471-V1482 HydrophobicContact CB-CG1 3.95Å; A1471-V1482 HydrophobicContact CB-CG2 3.69Å |
| 1472 | Y | 85.6 | Confident | 87.3 | Confident | 42.8 Ų | 42.8 | 25.4 Ų | 25.4 | 17% | 0.168 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -49.5 | 176 | 178.5 | -101.6 | 0 | 0 | 0 | 111.6 | I1468 Y1469 E1470 K1474 G1475 T1479 L1516 M1519 N1521 V1522 L1550 | I1468-Y1472 WeakPolarHBondContact O-CB 3.38Å; I1468-Y1472 PolarHBondContact O-N 3.3Å; Y1469-Y1472 WeakPolarHBondContact O-CB 3.2Å; Y1469-Y1472 PolarHBondContact O-N 3.2Å; Y1469-Y1472 VanDerWaalsContact O-N 3.12Å; E1470-Y1472 VanDerWaalsContact C-N 3.28Å; E1470-Y1472 PolarHBondContact O-N 3.1Å; Y1472-K1474 PolarHBondContact O-N 2.92Å; Y1472-G1475 WeakPolarHBondContact O-CA 3.33Å; Y1472-G1475 PolarHBondContact O-N 3Å; Y1472-G1475 VanDerWaalsContact O-N 3.13Å; Y1472-T1479 WeakPolarHBondContact CA-OG1 3.32Å; Y1472-T1479 PolarHBondContact N-OG1 3.26Å; Y1472-L1516 HydrophobicContact CD2-CD1 3.53Å; Y1472-L1516 VanDerWaalsContact CD2-CD1 3.49Å; Y1472-L1516 HydrophobicContact CE2-CD1 4.05Å; Y1472-L1516 HydrophobicContact CG-CD1 4.35Å; Y1472-M1519 HydrophobicContact CD2-SD 4.19Å; Y1472-M1519 HydrophobicContact CE1-CE 4.01Å; Y1472-M1519 HydrophobicContact CE1-SD 4.24Å; Y1472-M1519 HydrophobicContact CE2-CE 4.06Å; Y1472-M1519 HydrophobicContact CE2-SD 3.64Å; Y1472-M1519 VanDerWaalsContact CE2-SD 3.53Å; Y1472-M1519 WeakPolarHBondContact CE2-SD 3.21Å; Y1472-M1519 VanDerWaalsContact CZ-SD 3.56Å; Y1472-M1519 WeakPolarHBondContact OH-CE 3.39Å; Y1472-M1519 PolarHBondContact OH-SD 3.32Å; Y1472-M1519 VanDerWaalsContact OH-SD 3.38Å; Y1472-N1521 WeakPolarHBondContact CE2-ND2 3.32Å; Y1472-N1521 PolarHBondContact OH-ND2 3.17Å; Y1472-N1521 PolarHBondContact OH-OD1 3.26Å; Y1472-V1522 HydrophobicContact CE2-CG2 4.47Å; Y1472-L1550 HydrophobicContact CD1-CB 4.41Å; Y1472-L1550 HydrophobicContact CD1-CD2 3.65Å; Y1472-L1550 HydrophobicContact CE1-CD2 4.4Å; Y1472-L1550 HydrophobicContact CG-CD2 3.93Å |
| 1473 | Y | 82.8 | Confident | 87.5 | Confident | 85.8 Ų | 85.8 | 25.2 Ų | 25.2 | 34% | 0.336 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -68.7 | -31 | -179 | -78.3 | -76.4 | 0 | 0 | 0 | 113.4 | Y1469 E1470 G1475 L1550 D1552 L1553 S1556 L1559 | Y1469-Y1473 AromaticContact CD1-CD2 3.75Å; Y1469-Y1473 HydrophobicContact CD1-CD2 3.75Å; Y1469-Y1473 HydrophobicContact CD1-CE2 4.08Å; Y1469-Y1473 HydrophobicContact CD2-CD2 4.22Å; Y1469-Y1473 AromaticContact CD2-CE2 3.82Å; Y1469-Y1473 HydrophobicContact CD2-CE2 3.82Å; Y1469-Y1473 AromaticContact CE1-CD2 3.47Å; Y1469-Y1473 HydrophobicContact CE1-CD2 3.47Å; Y1469-Y1473 VanDerWaalsContact CE1-CD2 3.46Å; Y1469-Y1473 AromaticContact CE1-CE2 3.59Å; Y1469-Y1473 HydrophobicContact CE1-CE2 3.59Å; Y1469-Y1473 HydrophobicContact CE1-CG 4.27Å; Y1469-Y1473 AromaticContact CE2-CD2 3.93Å; Y1469-Y1473 HydrophobicContact CE2-CD2 4Å; Y1469-Y1473 AromaticContact CE2-CE2 3.31Å; Y1469-Y1473 HydrophobicContact CE2-CE2 3.31Å; Y1469-Y1473 VanDerWaalsContact CE2-CE2 3.42Å; Y1469-Y1473 HydrophobicContact CG-CD2 4.1Å; Y1469-Y1473 HydrophobicContact CG-CE2 4.18Å; Y1469-Y1473 AromaticContact CZ-CD2 3.61Å; Y1469-Y1473 AromaticContact CZ-CE2 3.17Å; Y1469-Y1473 AromaticContact CZ-CZ 3.77Å; Y1469-Y1473 WeakPolarHBondContact O-CD2 3.4Å; Y1469-Y1473 PolarHBondContact O-N 3.29Å; Y1469-Y1473 VanDerWaalsContact O-N 3.11Å; Y1469-Y1473 VanDerWaalsContact OH-CE2 3.32Å; Y1469-Y1473 WeakPolarHBondContact OH-CE2 3.4Å; E1470-Y1473 PolarHBondContact O-N 3.14Å; Y1473-G1475 VanDerWaalsContact C-N 3.3Å; Y1473-G1475 PolarHBondContact O-N 3.15Å; Y1473-L1550 VanDerWaalsContact CE2-O 3.3Å; Y1473-L1550 WeakPolarHBondContact CE2-O 3.38Å; Y1473-L1550 PolarHBondContact OH-O 3.23Å; Y1473-D1552 PolarHBondContact OH-O 3.11Å; Y1473-L1553 HydrophobicContact CE1-CD1 4Å; Y1473-L1553 HydrophobicContact CE1-CG 4.33Å; Y1473-L1553 WeakPolarHBondContact OH-CD1 3.4Å; Y1473-S1556 VanDerWaalsContact CE1-OG 3.26Å; Y1473-S1556 WeakPolarHBondContact CE1-OG 3.29Å; Y1473-S1556 WeakPolarHBondContact CE2-OG 3.41Å; Y1473-L1559 HydrophobicContact CD2-CD1 4.23Å; Y1473-L1559 HydrophobicContact CE2-CD1 4.44Å |
| 1474 | K | 79.7 | Confident | 87.7 | Confident | 60.6 Ų | 60.6 | 24.1 Ų | 24.1 | 26% | 0.263 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.1 | 174.1 | -66.1 | -170 | -173.5 | -118.2 | 0 | 113.4 | E1470 Y1472 P1478 E1562 C1564 V1566 | E1470-K1474 HydrophobicContact CG-CD 3.91Å; E1470-K1474 HydrophobicContact CG-CG 3.93Å; E1470-K1474 WeakPolarHBondContact O-CB 3.31Å; E1470-K1474 WeakPolarHBondContact O-CG 3.42Å; E1470-K1474 PolarHBondContact O-N 3.13Å; E1470-K1474 WeakPolarHBondContact OE1-CE 3.31Å; E1470-K1474 IonicContact OE1-NZ 3.63Å; E1470-K1474 PolarHBondContact OE1-NZ 3.1Å; Y1472-K1474 PolarHBondContact O-N 2.92Å; K1474-P1478 HydrophobicContact CB-CB 4.3Å; K1474-P1478 HydrophobicContact CB-CG 3.87Å; K1474-E1562 IonicContact NZ-OE1 3.63Å; K1474-E1562 PolarHBondContact NZ-OE1 3.38Å; K1474-E1562 IonicContact NZ-OE2 3.56Å; K1474-E1562 PolarHBondContact NZ-OE2 3.04Å; K1474-C1564 HydrophobicContact CD-CB 3.56Å; K1474-C1564 VanDerWaalsContact CD-CB 3.49Å; K1474-C1564 WeakPolarHBondContact CD-O 3.34Å; K1474-C1564 VanDerWaalsContact CE-O 3.28Å; K1474-C1564 WeakPolarHBondContact CE-O 3.33Å; K1474-C1564 HydrophobicContact CG-CB 4.19Å; K1474-C1564 PolarHBondContact NZ-O 3.13Å; K1474-V1566 HydrophobicContact CD-CG2 3.13Å |
| 1475 | G | 83.1 | Confident | 87.9 | Confident | 18.6 Ų | 18.6 | 24 Ų | 24 | 19% | 0.192 | 12% | 0.12 | C | C | . | . | trans | 109.4 | -171.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1471 Y1472 Y1473 I1477 P1478 T1479 | A1471-G1475 PolarHBondContact O-N 3.17Å; Y1472-G1475 WeakPolarHBondContact O-CA 3.33Å; Y1472-G1475 PolarHBondContact O-N 3Å; Y1472-G1475 VanDerWaalsContact O-N 3.13Å; Y1473-G1475 VanDerWaalsContact C-N 3.3Å; Y1473-G1475 PolarHBondContact O-N 3.15Å; G1475-I1477 VanDerWaalsContact C-N 3.29Å; G1475-I1477 PolarHBondContact O-N 3.06Å; G1475-I1477 VanDerWaalsContact O-N 3.14Å; G1475-P1478 WeakPolarHBondContact O-CD 3.34Å; G1475-T1479 WeakPolarHBondContact O-CB 3.47Å; G1475-T1479 PolarHBondContact O-N 3.21Å; G1475-T1479 VanDerWaalsContact O-N 3.17Å; G1475-T1479 PolarHBondContact O-OG1 3.11Å | ||
| 1476 | P | 83 | Confident | 88.3 | Confident | 82.4 Ų | 82.4 | 20.6 Ų | 20.6 | 54% | 0.535 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -68.9 | -25 | -167.2 | 26.6 | -35 | 0 | 0 | 0 | 113.6 | Q1480 | P1476-Q1480 WeakPolarHBondContact O-CB 3.3Å; P1476-Q1480 PolarHBondContact O-N 3.21Å; P1476-Q1480 VanDerWaalsContact O-N 3.15Å |
| 1477 | I | 84.3 | Confident | 88.6 | Confident | 40.4 Ų | 40.4 | 19.4 Ų | 19.4 | 21% | 0.207 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -75.6 | -54.4 | -178.3 | -66.3 | 168.3 | 0 | 0 | 0 | 110.6 | M1426 L1428 G1475 T1479 Q1480 Y1481 | M1426-I1477 HydrophobicContact SD-CG2 4.47Å; L1428-I1477 HydrophobicContact CD1-CB 4.06Å; L1428-I1477 HydrophobicContact CD1-CD1 4.09Å; L1428-I1477 HydrophobicContact CD1-CG2 4.39Å; L1428-I1477 HydrophobicContact CG-CD1 4.3Å; L1428-I1477 WeakPolarHBondContact O-CD1 3.41Å; G1475-I1477 VanDerWaalsContact C-N 3.29Å; G1475-I1477 PolarHBondContact O-N 3.06Å; G1475-I1477 VanDerWaalsContact O-N 3.14Å; I1477-T1479 VanDerWaalsContact C-N 3.32Å; I1477-T1479 PolarHBondContact O-N 3.1Å; I1477-Q1480 WeakPolarHBondContact O-CA 3.44Å; I1477-Q1480 VanDerWaalsContact O-CB 3.29Å; I1477-Q1480 WeakPolarHBondContact O-CB 3.36Å; I1477-Q1480 PolarHBondContact O-N 3.2Å; I1477-Y1481 HydrophobicContact CG2-CD2 4.43Å; I1477-Y1481 HydrophobicContact CG2-CE2 4.05Å; I1477-Y1481 VanDerWaalsContact O-CD2 3.3Å; I1477-Y1481 WeakPolarHBondContact O-CD2 3.31Å; I1477-Y1481 PolarHBondContact O-N 3.2Å |
| 1478 | P | 87.9 | Confident | 88.8 | Confident | 4.6 Ų | 4.6 | 22.1 Ų | 22.1 | 3% | 0.03 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.8 | -43.1 | 172.6 | -28.4 | 37.3 | 0 | 0 | 0 | 113.4 | M1426 L1428 A1471 K1474 G1475 Q1480 Y1481 V1482 C1564 | M1426-P1478 HydrophobicContact CE-CB 3.56Å; M1426-P1478 HydrophobicContact CE-CG 3.84Å; M1426-P1478 HydrophobicContact SD-CB 4.29Å; M1426-P1478 HydrophobicContact SD-CG 4.31Å; L1428-P1478 HydrophobicContact CD1-CG 4.06Å; L1428-P1478 HydrophobicContact CD2-CG 4.31Å; L1428-P1478 HydrophobicContact CG-CG 4.09Å; A1471-P1478 HydrophobicContact CB-CB 4.14Å; K1474-P1478 HydrophobicContact CB-CB 4.3Å; K1474-P1478 HydrophobicContact CB-CG 3.87Å; G1475-P1478 WeakPolarHBondContact O-CD 3.34Å; P1478-Q1480 PolarHBondContact O-N 3.21Å; P1478-Q1480 VanDerWaalsContact O-N 3.15Å; P1478-Y1481 PolarHBondContact O-N 3Å; P1478-V1482 WeakPolarHBondContact O-CG2 3.13Å; P1478-V1482 PolarHBondContact O-N 3.19Å; P1478-C1564 HydrophobicContact CB-CB 4.47Å |
| 1479 | T | 89.1 | Confident | 89.1 | Confident | 6.6 Ų | 6.6 | 22 Ų | 22 | 4% | 0.04 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.6 | -39.3 | 173.5 | -57 | 0 | 0 | 0 | 0 | 111.5 | A1471 Y1472 G1475 I1477 Y1481 V1482 V1483 L1516 L1526 | A1471-T1479 VanDerWaalsContact C-OG1 3.31Å; A1471-T1479 PolarHBondContact O-N 3.13Å; A1471-T1479 PolarHBondContact O-OG1 3.18Å; Y1472-T1479 WeakPolarHBondContact CA-OG1 3.32Å; Y1472-T1479 PolarHBondContact N-OG1 3.26Å; G1475-T1479 WeakPolarHBondContact O-CB 3.47Å; G1475-T1479 PolarHBondContact O-N 3.21Å; G1475-T1479 VanDerWaalsContact O-N 3.17Å; G1475-T1479 PolarHBondContact O-OG1 3.11Å; I1477-T1479 VanDerWaalsContact C-N 3.32Å; I1477-T1479 PolarHBondContact O-N 3.1Å; T1479-Y1481 VanDerWaalsContact C-N 3.3Å; T1479-Y1481 PolarHBondContact O-N 3.18Å; T1479-V1482 PolarHBondContact O-N 2.94Å; T1479-V1483 HydrophobicContact CG2-CG2 3.8Å; T1479-V1483 WeakPolarHBondContact O-CB 3.31Å; T1479-V1483 WeakPolarHBondContact O-CG2 3.33Å; T1479-V1483 PolarHBondContact O-N 3.02Å; T1479-V1483 VanDerWaalsContact O-N 3.1Å; T1479-L1516 HydrophobicContact CG2-CD2 4.35Å; T1479-L1526 HydrophobicContact CG2-CD1 3.86Å |
| 1480 | Q | 89.1 | Confident | 89.4 | Confident | 27.6 Ų | 27.6 | 21.5 Ų | 21.5 | 13% | 0.129 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.8 | -23 | -179.6 | 164.5 | 158.8 | 42.6 | 0 | 0 | 114.4 | R1436 P1476 I1477 P1478 P1484 W1525 | R1436-Q1480 VanDerWaalsContact CZ-CG 3.42Å; R1436-Q1480 PolarHBondContact NE-O 2.84Å; R1436-Q1480 VanDerWaalsContact NH1-CD 3.31Å; R1436-Q1480 VanDerWaalsContact NH1-CG 3.32Å; R1436-Q1480 VanDerWaalsContact NH2-OE1 3.08Å; P1476-Q1480 WeakPolarHBondContact O-CB 3.3Å; P1476-Q1480 PolarHBondContact O-N 3.21Å; P1476-Q1480 VanDerWaalsContact O-N 3.15Å; I1477-Q1480 WeakPolarHBondContact O-CA 3.44Å; I1477-Q1480 VanDerWaalsContact O-CB 3.29Å; I1477-Q1480 WeakPolarHBondContact O-CB 3.36Å; I1477-Q1480 PolarHBondContact O-N 3.2Å; P1478-Q1480 PolarHBondContact O-N 3.21Å; P1478-Q1480 VanDerWaalsContact O-N 3.15Å; Q1480-P1484 VanDerWaalsContact O-CD 3.27Å; Q1480-P1484 WeakPolarHBondContact O-CD 3.4Å; Q1480-P1484 WeakPolarHBondContact O-CG 3.32Å; Q1480-W1525 VanDerWaalsContact CA-CH2 3.46Å; Q1480-W1525 HydrophobicContact CB-CH2 3.63Å; Q1480-W1525 HydrophobicContact CB-CZ2 3.54Å; Q1480-W1525 VanDerWaalsContact CB-CZ2 3.48Å; Q1480-W1525 VanDerWaalsContact CD-CZ2 3.48Å; Q1480-W1525 HydrophobicContact CG-CH2 3.34Å; Q1480-W1525 VanDerWaalsContact CG-CH2 3.42Å; Q1480-W1525 HydrophobicContact CG-CZ2 3.33Å; Q1480-W1525 VanDerWaalsContact CG-CZ2 3.4Å; Q1480-W1525 HydrophobicContact CG-CZ3 4.42Å; Q1480-W1525 WeakPolarHBondContact O-CH2 3.39Å |
| 1481 | Y | 90.5 | Very high | 89.8 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -87.9 | -46.2 | 172.4 | -76.7 | -114.6 | 0 | 0 | 0 | 111.2 | M1426 D1432 A1435 R1436 L1439 I1477 P1478 T1479 F1485 | M1426-Y1481 VanDerWaalsContact CE-CB 3.41Å; M1426-Y1481 HydrophobicContact CE-CD1 3.95Å; M1426-Y1481 HydrophobicContact CE-CD2 4.07Å; M1426-Y1481 HydrophobicContact CE-CE1 4.49Å; M1426-Y1481 HydrophobicContact CE-CE2 4.49Å; M1426-Y1481 HydrophobicContact CE-CG 3.62Å; M1426-Y1481 VanDerWaalsContact CE-CG 3.41Å; M1426-Y1481 HydrophobicContact CG-CD1 4.26Å; M1426-Y1481 HydrophobicContact CG-CD2 4.12Å; M1426-Y1481 HydrophobicContact CG-CE1 4.06Å; M1426-Y1481 HydrophobicContact CG-CE2 3.98Å; M1426-Y1481 HydrophobicContact CG-CG 4.33Å; M1426-Y1481 VanDerWaalsContact SD-CB 3.6Å; M1426-Y1481 HydrophobicContact SD-CD1 3.98Å; M1426-Y1481 WeakPolarHBondContact SD-CD1 3.33Å; M1426-Y1481 HydrophobicContact SD-CD2 3.4Å; M1426-Y1481 VanDerWaalsContact SD-CD2 3.57Å; M1426-Y1481 WeakPolarHBondContact SD-CD2 3.35Å; M1426-Y1481 HydrophobicContact SD-CE1 4.31Å; M1426-Y1481 HydrophobicContact SD-CE2 3.76Å; M1426-Y1481 HydrophobicContact SD-CG 3.51Å; M1426-Y1481 VanDerWaalsContact SD-CG 3.59Å; D1432-Y1481 VanDerWaalsContact CA-OH 3.29Å; D1432-Y1481 WeakPolarHBondContact CA-OH 3.41Å; D1432-Y1481 WeakPolarHBondContact CB-OH 3.34Å; D1432-Y1481 PolarHBondContact N-OH 3.31Å; D1432-Y1481 VanDerWaalsContact N-OH 3.09Å; D1432-Y1481 PolarHBondContact O-OH 2.97Å; A1435-Y1481 HydrophobicContact CB-CE1 3.9Å; R1436-Y1481 HydrophobicContact CB-CD1 4.38Å; R1436-Y1481 HydrophobicContact CB-CE1 4.34Å; R1436-Y1481 HydrophobicContact CG-CD1 3.45Å; R1436-Y1481 VanDerWaalsContact CG-CD1 3.45Å; R1436-Y1481 HydrophobicContact CG-CD2 3.78Å; R1436-Y1481 VanDerWaalsContact CG-CD2 3.41Å; R1436-Y1481 HydrophobicContact CG-CE1 3.33Å; R1436-Y1481 HydrophobicContact CG-CE2 3.7Å; R1436-Y1481 VanDerWaalsContact CG-CE2 3.44Å; R1436-Y1481 HydrophobicContact CG-CG 3.68Å; L1439-Y1481 HydrophobicContact CD2-CD1 4.34Å; I1477-Y1481 HydrophobicContact CG2-CD2 4.43Å; I1477-Y1481 HydrophobicContact CG2-CE2 4.05Å; I1477-Y1481 VanDerWaalsContact O-CD2 3.3Å; I1477-Y1481 WeakPolarHBondContact O-CD2 3.31Å; I1477-Y1481 PolarHBondContact O-N 3.2Å; P1478-Y1481 PolarHBondContact O-N 3Å; T1479-Y1481 VanDerWaalsContact C-N 3.3Å; T1479-Y1481 PolarHBondContact O-N 3.18Å; Y1481-F1485 WeakPolarHBondContact O-CB 3.23Å; Y1481-F1485 PolarHBondContact O-N 3.03Å |
| 1482 | V | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.8 | -44.6 | -170.2 | 167.2 | 0 | 0 | 0 | 0 | 112.4 | L1423 L1467 I1468 A1471 P1478 T1479 F1485 V1486 | L1423-V1482 HydrophobicContact CD2-CG2 3.86Å; L1467-V1482 HydrophobicContact CB-CG1 4.49Å; L1467-V1482 HydrophobicContact CD1-CG2 4.03Å; L1467-V1482 HydrophobicContact CD2-CG1 4.09Å; L1467-V1482 HydrophobicContact CD2-CG2 4.29Å; L1467-V1482 HydrophobicContact CG-CB 4.47Å; L1467-V1482 HydrophobicContact CG-CG1 3.74Å; L1467-V1482 HydrophobicContact CG-CG2 3.94Å; I1468-V1482 HydrophobicContact CG1-CG1 4.33Å; A1471-V1482 HydrophobicContact CB-CB 3.66Å; A1471-V1482 HydrophobicContact CB-CG1 3.95Å; A1471-V1482 HydrophobicContact CB-CG2 3.69Å; P1478-V1482 WeakPolarHBondContact O-CG2 3.13Å; P1478-V1482 PolarHBondContact O-N 3.19Å; T1479-V1482 PolarHBondContact O-N 2.94Å; V1482-F1485 WeakPolarHBondContact O-CB 3.37Å; V1482-F1485 PolarHBondContact O-N 3.22Å; V1482-F1485 VanDerWaalsContact O-N 3.15Å; V1482-V1486 HydrophobicContact CG1-CG2 3.9Å; V1482-V1486 WeakPolarHBondContact O-CB 3.4Å; V1482-V1486 VanDerWaalsContact O-CG2 3.32Å; V1482-V1486 WeakPolarHBondContact O-CG2 3.27Å; V1482-V1486 PolarHBondContact O-N 3.06Å |
| 1483 | V | 93.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | -175.5 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | T1479 F1485 V1486 A1487 L1513 L1516 L1526 I1530 | T1479-V1483 HydrophobicContact CG2-CG2 3.8Å; T1479-V1483 WeakPolarHBondContact O-CB 3.31Å; T1479-V1483 WeakPolarHBondContact O-CG2 3.33Å; T1479-V1483 PolarHBondContact O-N 3.02Å; T1479-V1483 VanDerWaalsContact O-N 3.1Å; V1483-F1485 VanDerWaalsContact C-N 3.31Å; V1483-F1485 PolarHBondContact O-N 3.24Å; V1483-V1486 PolarHBondContact O-N 3.19Å; V1483-A1487 WeakPolarHBondContact O-CB 3.3Å; V1483-A1487 PolarHBondContact O-N 3.25Å; V1483-L1513 HydrophobicContact CG1-CD2 4.4Å; V1483-L1516 HydrophobicContact CG1-CD2 4.47Å; V1483-L1516 HydrophobicContact CG2-CD2 3.45Å; V1483-L1516 VanDerWaalsContact CG2-CD2 3.45Å; V1483-L1526 HydrophobicContact CB-CD2 3.63Å; V1483-L1526 HydrophobicContact CG1-CD2 3.78Å; V1483-L1526 HydrophobicContact CG2-CD2 4.21Å; V1483-I1530 HydrophobicContact CG1-CD1 4.39Å; V1483-I1530 HydrophobicContact CG1-CG1 4.14Å |
| 1484 | P | 93.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 4% | 0.039 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -33.9 | 174.6 | -23.5 | 36.4 | 0 | 0 | 0 | 113.4 | K1440 Q1480 R1488 W1525 L1526 E1529 | K1440-P1484 HydrophobicContact CD-CB 3.74Å; K1440-P1484 HydrophobicContact CG-CB 3.73Å; Q1480-P1484 VanDerWaalsContact O-CD 3.27Å; Q1480-P1484 WeakPolarHBondContact O-CD 3.4Å; Q1480-P1484 WeakPolarHBondContact O-CG 3.32Å; P1484-R1488 VanDerWaalsContact O-CG 3.29Å; P1484-R1488 WeakPolarHBondContact O-CG 3.3Å; P1484-R1488 PolarHBondContact O-N 3.06Å; P1484-R1488 VanDerWaalsContact O-N 3.11Å; P1484-W1525 HydrophobicContact CG-CH2 4.24Å; P1484-W1525 HydrophobicContact CG-CZ3 3.8Å; P1484-L1526 HydrophobicContact CG-CD2 4.41Å; P1484-E1529 HydrophobicContact CB-CG 4.42Å |
| 1485 | F | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -53.7 | 173.7 | 164 | -111.1 | 0 | 0 | 0 | 111.4 | I1419 L1439 G1443 L1446 L1462 L1467 Y1481 V1482 V1483 A1487 R1488 V1489 | I1419-F1485 HydrophobicContact CD1-CE2 3.97Å; I1419-F1485 HydrophobicContact CD1-CZ 4.1Å; I1419-F1485 HydrophobicContact CG1-CE2 4.24Å; I1419-F1485 HydrophobicContact CG1-CZ 4.46Å; I1419-F1485 HydrophobicContact CG2-CE1 4.29Å; I1419-F1485 HydrophobicContact CG2-CE2 4.13Å; I1419-F1485 HydrophobicContact CG2-CZ 3.67Å; L1439-F1485 HydrophobicContact CD1-CD2 4.02Å; L1439-F1485 HydrophobicContact CD1-CE2 4.28Å; L1439-F1485 HydrophobicContact CD1-CG 4.32Å; L1439-F1485 HydrophobicContact CD2-CB 3.91Å; L1439-F1485 HydrophobicContact CD2-CG 4.18Å; L1439-F1485 HydrophobicContact CG-CB 3.87Å; L1439-F1485 HydrophobicContact CG-CD2 3.81Å; L1439-F1485 HydrophobicContact CG-CG 3.89Å; L1439-F1485 VanDerWaalsContact O-CD2 3.29Å; L1439-F1485 WeakPolarHBondContact O-CD2 3.35Å; G1443-F1485 VanDerWaalsContact CA-CD2 3.48Å; G1443-F1485 VanDerWaalsContact CA-CE2 3.44Å; L1446-F1485 HydrophobicContact CD2-CZ 4.47Å; L1462-F1485 HydrophobicContact CD2-CE1 4.05Å; L1462-F1485 HydrophobicContact CD2-CZ 3.78Å; L1467-F1485 HydrophobicContact CD2-CD1 4.1Å; L1467-F1485 HydrophobicContact CD2-CE1 3.86Å; Y1481-F1485 WeakPolarHBondContact O-CB 3.23Å; Y1481-F1485 PolarHBondContact O-N 3.03Å; V1482-F1485 WeakPolarHBondContact O-CB 3.37Å; V1482-F1485 PolarHBondContact O-N 3.22Å; V1482-F1485 VanDerWaalsContact O-N 3.15Å; V1483-F1485 VanDerWaalsContact C-N 3.31Å; V1483-F1485 PolarHBondContact O-N 3.24Å; F1485-A1487 VanDerWaalsContact C-N 3.34Å; F1485-A1487 PolarHBondContact O-N 2.97Å; F1485-R1488 PolarHBondContact O-N 3.12Å; F1485-R1488 VanDerWaalsContact O-N 3.11Å; F1485-V1489 HydrophobicContact CD2-CG2 4.2Å; F1485-V1489 HydrophobicContact CE1-CG2 4.38Å; F1485-V1489 HydrophobicContact CE2-CG2 3.76Å; F1485-V1489 HydrophobicContact CZ-CG2 3.85Å; F1485-V1489 WeakPolarHBondContact O-CG2 3.31Å; F1485-V1489 PolarHBondContact O-N 3.32Å |
| 1486 | V | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | -180 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | I1464 I1468 V1482 V1483 R1488 V1489 V1490 I1509 | I1464-V1486 HydrophobicContact CG2-CB 4.22Å; I1464-V1486 HydrophobicContact CG2-CG1 3.39Å; I1464-V1486 VanDerWaalsContact CG2-CG1 3.42Å; I1464-V1486 HydrophobicContact CG2-CG2 3.8Å; I1468-V1486 HydrophobicContact CD1-CG1 4.09Å; I1468-V1486 HydrophobicContact CG1-CG1 4.39Å; I1468-V1486 HydrophobicContact CG1-CG2 4.18Å; V1482-V1486 HydrophobicContact CG1-CG2 3.9Å; V1482-V1486 WeakPolarHBondContact O-CB 3.4Å; V1482-V1486 VanDerWaalsContact O-CG2 3.32Å; V1482-V1486 WeakPolarHBondContact O-CG2 3.27Å; V1482-V1486 PolarHBondContact O-N 3.06Å; V1483-V1486 PolarHBondContact O-N 3.19Å; V1486-R1488 VanDerWaalsContact C-N 3.25Å; V1486-R1488 PolarHBondContact O-N 3.16Å; V1486-V1489 PolarHBondContact O-N 3.01Å; V1486-V1489 VanDerWaalsContact O-N 3.16Å; V1486-V1490 HydrophobicContact CG1-CG2 3.95Å; V1486-V1490 WeakPolarHBondContact O-CB 3.45Å; V1486-V1490 VanDerWaalsContact O-CG2 3.32Å; V1486-V1490 WeakPolarHBondContact O-CG2 3.37Å; V1486-V1490 PolarHBondContact O-N 2.95Å; V1486-I1509 HydrophobicContact CG1-CG2 4Å |
| 1487 | A | 94.9 | Very high | 91.6 | Very high | 4.4 Ų | 4.4 | 27.8 Ų | 27.8 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1483 F1485 R1491 E1529 L1533 | V1483-A1487 WeakPolarHBondContact O-CB 3.3Å; V1483-A1487 PolarHBondContact O-N 3.25Å; F1485-A1487 VanDerWaalsContact C-N 3.34Å; F1485-A1487 PolarHBondContact O-N 2.97Å; A1487-R1491 VanDerWaalsContact O-CB 3.26Å; A1487-R1491 WeakPolarHBondContact O-CB 3.26Å; A1487-R1491 PolarHBondContact O-N 3.1Å; A1487-E1529 HydrophobicContact CB-CG 4.02Å; A1487-L1533 HydrophobicContact CB-CB 4.47Å; A1487-L1533 HydrophobicContact CB-CD2 4.29Å; A1487-L1533 WeakPolarHBondContact O-CD1 3.38Å |
| 1488 | R | 94.6 | Very high | 91.8 | Very high | 56.8 Ų | 56.8 | 29.5 Ų | 29.5 | 21% | 0.214 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.4 | -36.4 | 176.9 | -64.9 | -66.1 | 165.7 | 147.7 | -3.3 | 113.3 | K1440 G1443 P1484 F1485 V1486 E1529 | K1440-R1488 HydrophobicContact CB-CG 4.42Å; K1440-R1488 HydrophobicContact CD-CG 4.38Å; K1440-R1488 HydrophobicContact CG-CG 3.59Å; G1443-R1488 CarbonylContact O-C 3.53Å; P1484-R1488 VanDerWaalsContact O-CG 3.29Å; P1484-R1488 WeakPolarHBondContact O-CG 3.3Å; P1484-R1488 PolarHBondContact O-N 3.06Å; P1484-R1488 VanDerWaalsContact O-N 3.11Å; F1485-R1488 PolarHBondContact O-N 3.12Å; F1485-R1488 VanDerWaalsContact O-N 3.11Å; V1486-R1488 VanDerWaalsContact C-N 3.25Å; V1486-R1488 PolarHBondContact O-N 3.16Å; R1488-E1529 IonicContact CZ-OE1 2.9Å; R1488-E1529 IonicContact NE-OE1 2.91Å; R1488-E1529 PolarHBondContact NE-OE1 3.13Å; R1488-E1529 VanDerWaalsContact NE-OE1 3.1Å; R1488-E1529 IonicContact NH2-OE1 3.27Å; R1488-E1529 PolarHBondContact NH2-OE1 3.32Å |
| 1489 | V | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -55.5 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | G1443 L1446 G1447 L1451 I1464 F1485 V1486 R1491 G1492 | G1443-V1489 VanDerWaalsContact CA-CG2 3.48Å; G1443-V1489 WeakPolarHBondContact O-CA 3.38Å; G1443-V1489 WeakPolarHBondContact O-CG2 3.41Å; G1443-V1489 PolarHBondContact O-N 3.15Å; L1446-V1489 HydrophobicContact CB-CG2 4.48Å; L1446-V1489 HydrophobicContact CD2-CG1 4.38Å; L1446-V1489 HydrophobicContact CD2-CG2 4.07Å; G1447-V1489 WeakPolarHBondContact CA-O 3.4Å; L1451-V1489 HydrophobicContact CD1-CG1 4.25Å; L1451-V1489 WeakPolarHBondContact CD1-O 3.29Å; I1464-V1489 HydrophobicContact CD1-CB 4.41Å; I1464-V1489 HydrophobicContact CD1-CG1 3.72Å; F1485-V1489 HydrophobicContact CD2-CG2 4.2Å; F1485-V1489 HydrophobicContact CE1-CG2 4.38Å; F1485-V1489 HydrophobicContact CE2-CG2 3.76Å; F1485-V1489 HydrophobicContact CZ-CG2 3.85Å; F1485-V1489 WeakPolarHBondContact O-CG2 3.31Å; F1485-V1489 PolarHBondContact O-N 3.32Å; V1486-V1489 PolarHBondContact O-N 3.01Å; V1486-V1489 VanDerWaalsContact O-N 3.16Å; V1489-R1491 VanDerWaalsContact C-N 3.26Å; V1489-R1491 PolarHBondContact O-N 3.18Å; V1489-G1492 PolarHBondContact O-N 3.13Å |
| 1490 | V | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -30.3 | -175.1 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | V1486 G1492 A1493 T1506 I1509 L1533 F1537 | V1486-V1490 HydrophobicContact CG1-CG2 3.95Å; V1486-V1490 WeakPolarHBondContact O-CB 3.45Å; V1486-V1490 VanDerWaalsContact O-CG2 3.32Å; V1486-V1490 WeakPolarHBondContact O-CG2 3.37Å; V1486-V1490 PolarHBondContact O-N 2.95Å; V1490-G1492 PolarHBondContact O-N 3.31Å; V1490-G1492 VanDerWaalsContact O-N 3.15Å; V1490-A1493 VanDerWaalsContact O-CB 3.23Å; V1490-A1493 WeakPolarHBondContact O-CB 3.41Å; V1490-A1493 PolarHBondContact O-N 3.3Å; V1490-T1506 HydrophobicContact CG1-CG2 4.18Å; V1490-I1509 HydrophobicContact CG2-CD1 4.22Å; V1490-I1509 HydrophobicContact CG2-CG2 3.94Å; V1490-L1533 HydrophobicContact CB-CD1 4.45Å; V1490-L1533 HydrophobicContact CB-CD2 4.46Å; V1490-L1533 HydrophobicContact CG1-CD1 4.39Å; V1490-L1533 HydrophobicContact CG1-CD2 4.4Å; V1490-F1537 HydrophobicContact CG1-CE2 3.88Å; V1490-F1537 HydrophobicContact CG1-CZ 3.88Å; V1490-F1537 WeakPolarHBondContact O-CZ 3.37Å |
| 1491 | R | 93.3 | Very high | 91.8 | Very high | 111.6 Ų | 111.6 | 35.1 Ų | 35.1 | 42% | 0.421 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -55.9 | -29.3 | 172.6 | -174.5 | 174.8 | -164.6 | -130.3 | 0.2 | 112.9 | A1487 V1489 A1493 T1494 L1533 A1536 | A1487-R1491 VanDerWaalsContact O-CB 3.26Å; A1487-R1491 WeakPolarHBondContact O-CB 3.26Å; A1487-R1491 PolarHBondContact O-N 3.1Å; V1489-R1491 VanDerWaalsContact C-N 3.26Å; V1489-R1491 PolarHBondContact O-N 3.18Å; R1491-A1493 PolarHBondContact O-N 3.09Å; R1491-A1493 VanDerWaalsContact O-N 3.13Å; R1491-T1494 WeakPolarHBondContact O-CB 3.43Å; R1491-T1494 VanDerWaalsContact O-CG2 3.32Å; R1491-T1494 WeakPolarHBondContact O-CG2 3.33Å; R1491-T1494 PolarHBondContact O-N 3.31Å; R1491-T1494 VanDerWaalsContact O-N 3.09Å; R1491-T1494 PolarHBondContact O-OG1 3.01Å; R1491-L1533 HydrophobicContact CB-CD1 4.11Å; R1491-A1536 HydrophobicContact CG-CB 4.49Å |
| 1492 | G | 91 | Very high | 91.6 | Very high | 7.2 Ų | 7.2 | 40 Ų | 40 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -59.6 | -21.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1452 V1489 V1490 T1494 E1495 | A1452-G1492 VanDerWaalsContact CA-O 3.25Å; A1452-G1492 WeakPolarHBondContact CA-O 3.34Å; A1452-G1492 WeakPolarHBondContact CB-O 3.38Å; A1452-G1492 PolarHBondContact N-O 3.14Å; V1489-G1492 PolarHBondContact O-N 3.13Å; V1490-G1492 PolarHBondContact O-N 3.31Å; V1490-G1492 VanDerWaalsContact O-N 3.15Å; G1492-T1494 VanDerWaalsContact C-N 3.29Å; G1492-T1494 PolarHBondContact O-N 3.04Å; G1492-E1495 PolarHBondContact O-N 3.11Å |
| 1493 | A | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -73.6 | -9.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1451 V1490 R1491 E1495 S1496 F1499 R1500 T1506 F1537 | L1451-A1493 HydrophobicContact CB-CB 4.37Å; L1451-A1493 HydrophobicContact CD1-CB 4.18Å; V1490-A1493 VanDerWaalsContact O-CB 3.23Å; V1490-A1493 WeakPolarHBondContact O-CB 3.41Å; V1490-A1493 PolarHBondContact O-N 3.3Å; R1491-A1493 PolarHBondContact O-N 3.09Å; R1491-A1493 VanDerWaalsContact O-N 3.13Å; A1493-E1495 VanDerWaalsContact C-N 3.29Å; A1493-E1495 PolarHBondContact O-N 3.19Å; A1493-S1496 WeakPolarHBondContact O-CB 3.36Å; A1493-S1496 PolarHBondContact O-N 3.09Å; A1493-F1499 HydrophobicContact CB-CB 3.73Å; A1493-R1500 WeakPolarHBondContact O-CA 3.34Å; A1493-R1500 WeakPolarHBondContact O-CB 3.48Å; A1493-R1500 PolarHBondContact O-N 3.21Å; A1493-T1506 HydrophobicContact CB-CG2 4.44Å; A1493-F1537 HydrophobicContact CB-CE1 4.15Å; A1493-F1537 HydrophobicContact CB-CZ 4.08Å |
| 1494 | T | 90.9 | Very high | 91.2 | Very high | 27.8 Ų | 27.8 | 45.4 Ų | 45.4 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -67.4 | -32.2 | 176 | 59 | 0 | 0 | 0 | 0 | 112.4 | R1491 G1492 R1500 A1536 F1537 | R1491-T1494 WeakPolarHBondContact O-CB 3.43Å; R1491-T1494 VanDerWaalsContact O-CG2 3.32Å; R1491-T1494 WeakPolarHBondContact O-CG2 3.33Å; R1491-T1494 PolarHBondContact O-N 3.31Å; R1491-T1494 VanDerWaalsContact O-N 3.09Å; R1491-T1494 PolarHBondContact O-OG1 3.01Å; G1492-T1494 VanDerWaalsContact C-N 3.29Å; G1492-T1494 PolarHBondContact O-N 3.04Å; T1494-R1500 PolarHBondContact O-NH1 3.19Å; T1494-A1536 HydrophobicContact CG2-CB 4.28Å; T1494-A1536 VanDerWaalsContact CG2-O 3.29Å; T1494-A1536 WeakPolarHBondContact CG2-O 3.36Å; T1494-F1537 HydrophobicContact CG2-CD1 3.65Å; T1494-F1537 HydrophobicContact CG2-CD2 4.46Å; T1494-F1537 HydrophobicContact CG2-CE1 3.56Å; T1494-F1537 HydrophobicContact CG2-CE2 4.4Å; T1494-F1537 HydrophobicContact CG2-CG 4.17Å; T1494-F1537 HydrophobicContact CG2-CZ 4.01Å |
| 1495 | E | 87 | Confident | 91.1 | Very high | 123.4 Ų | 123.4 | 48.8 Ų | 48.8 | 58% | 0.577 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -89.8 | -8.9 | 177.6 | -63.9 | 179.1 | -165 | 0 | 0 | 112.6 | A1452 G1492 A1493 | A1452-E1495 HydrophobicContact CB-CB 4.09Å; G1492-E1495 PolarHBondContact O-N 3.11Å; A1493-E1495 VanDerWaalsContact C-N 3.29Å; A1493-E1495 PolarHBondContact O-N 3.19Å |
| 1496 | S | 91.3 | Very high | 90.9 | Very high | 3.6 Ų | 3.6 | 48.8 Ų | 48.8 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | trans | -77.6 | 143.1 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | L1451 N1454 A1493 V1498 F1499 R1500 | L1451-S1496 VanDerWaalsContact O-CB 3.25Å; L1451-S1496 WeakPolarHBondContact O-CB 3.19Å; L1451-S1496 PolarHBondContact O-OG 3.25Å; L1451-S1496 VanDerWaalsContact O-OG 3.13Å; N1454-S1496 WeakPolarHBondContact OD1-CA 3.42Å; N1454-S1496 PolarHBondContact OD1-OG 3.27Å; A1493-S1496 WeakPolarHBondContact O-CB 3.36Å; A1493-S1496 PolarHBondContact O-N 3.09Å; S1496-V1498 PolarHBondContact OG-N 3.21Å; S1496-V1498 VanDerWaalsContact OG-N 3.12Å; S1496-F1499 WeakPolarHBondContact OG-CB 3.42Å; S1496-F1499 VanDerWaalsContact OG-CD2 3.31Å; S1496-F1499 WeakPolarHBondContact OG-CD2 3.34Å; S1496-F1499 PolarHBondContact OG-N 3.01Å; S1496-R1500 VanDerWaalsContact O-CB 3.26Å; S1496-R1500 WeakPolarHBondContact O-CB 3.31Å | ||
| 1497 | L | 87.1 | Confident | 90.7 | Very high | 158.2 Ų | 158.2 | 50.6 Ų | 50.6 | 83% | 0.828 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -80.9 | -29.6 | 168.3 | -61.6 | 175.6 | 0 | 0 | 0 | 111.8 | N1454 | N1454-L1497 PolarHBondContact OD1-N 3.02Š|
| 1498 | V | 87.5 | Confident | 90.5 | Very high | 75.2 Ų | 75.2 | 52 Ų | 52 | 46% | 0.456 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -97 | -39.7 | -172.5 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | N1454 S1496 N1503 | N1454-V1498 HydrophobicContact CB-CB 4.42Å; N1454-V1498 HydrophobicContact CB-CG2 4.1Å; N1454-V1498 PolarHBondContact OD1-N 3.02Å; S1496-V1498 PolarHBondContact OG-N 3.21Å; S1496-V1498 VanDerWaalsContact OG-N 3.12Å; V1498-N1503 WeakPolarHBondContact O-CB 3.31Å; V1498-N1503 PolarHBondContact O-ND2 2.9Å |
| 1499 | F | 92.3 | Very high | 90.3 | Very high | 20.6 Ų | 20.6 | 49.4 Ų | 49.4 | 9% | 0.09 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -93.6 | -6 | -174.5 | -61.1 | -70.7 | 0 | 0 | 0 | 114 | L1451 K1455 P1456 A1493 S1496 N1503 W1505 T1506 | L1451-F1499 HydrophobicContact CB-CD2 4.33Å; L1451-F1499 HydrophobicContact CD2-CB 4.47Å; L1451-F1499 HydrophobicContact CD2-CD1 4.23Å; L1451-F1499 HydrophobicContact CD2-CD2 3.85Å; L1451-F1499 HydrophobicContact CD2-CE1 4.46Å; L1451-F1499 HydrophobicContact CD2-CE2 4.12Å; L1451-F1499 HydrophobicContact CD2-CG 3.94Å; L1451-F1499 HydrophobicContact CD2-CZ 4.44Å; K1455-F1499 WeakPolarHBondContact O-CE2 3.45Å; P1456-F1499 HydrophobicContact CB-CE1 4.43Å; P1456-F1499 HydrophobicContact CB-CZ 3.91Å; A1493-F1499 HydrophobicContact CB-CB 3.73Å; S1496-F1499 WeakPolarHBondContact OG-CB 3.42Å; S1496-F1499 VanDerWaalsContact OG-CD2 3.31Å; S1496-F1499 WeakPolarHBondContact OG-CD2 3.34Å; S1496-F1499 PolarHBondContact OG-N 3.01Å; F1499-N1503 WeakPolarHBondContact O-CB 3.41Å; F1499-W1505 HydrophobicContact CD1-CE3 4.27Å; F1499-T1506 VanDerWaalsContact O-CB 3.31Å; F1499-T1506 WeakPolarHBondContact O-CB 3.31Å; F1499-T1506 PolarHBondContact O-OG1 3Å |
| 1500 | R | 89.7 | Confident | 90.2 | Very high | 109.2 Ų | 109.2 | 49.4 Ų | 49.4 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -63 | 143.9 | 173 | -167.9 | 172.8 | -175.8 | 139.5 | 2.9 | 110 | A1493 T1494 S1496 N1503 D1538 | A1493-R1500 WeakPolarHBondContact O-CA 3.34Å; A1493-R1500 WeakPolarHBondContact O-CB 3.48Å; A1493-R1500 PolarHBondContact O-N 3.21Å; T1494-R1500 PolarHBondContact O-NH1 3.19Å; S1496-R1500 VanDerWaalsContact O-CB 3.26Å; S1496-R1500 WeakPolarHBondContact O-CB 3.31Å; R1500-N1503 VanDerWaalsContact O-CB 3.28Å; R1500-N1503 WeakPolarHBondContact O-CB 3.34Å; R1500-N1503 PolarHBondContact O-N 3.27Å; R1500-N1503 VanDerWaalsContact O-N 3.1Å; R1500-D1538 IonicContact CZ-OD2 3.39Å; R1500-D1538 IonicContact NH2-OD2 3.18Å; R1500-D1538 PolarHBondContact NH2-OD2 3.08Å |
| 1501 | P | 85.4 | Confident | 90 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | 135.8 | 167.4 | -35.2 | 40.2 | 0 | 0 | 0 | 112.2 | T1506 M1507 L1510 F1537 L1539 | P1501-T1506 HydrophobicContact CG-CG2 4.24Å; P1501-M1507 HydrophobicContact CB-CE 3.61Å; P1501-M1507 HydrophobicContact CB-SD 3.97Å; P1501-M1507 HydrophobicContact CG-CE 4.1Å; P1501-M1507 HydrophobicContact CG-SD 4.41Å; P1501-L1510 HydrophobicContact CG-CD1 4.15Å; P1501-F1537 VanDerWaalsContact CD-CD1 3.43Å; P1501-F1537 VanDerWaalsContact CD-CE1 3.47Å; P1501-F1537 HydrophobicContact CG-CB 4.36Å; P1501-F1537 HydrophobicContact CG-CD1 3.7Å; P1501-F1537 HydrophobicContact CG-CE1 4.08Å; P1501-F1537 HydrophobicContact CG-CG 4.11Å; P1501-L1539 HydrophobicContact CB-CD1 4.11Å; P1501-L1539 HydrophobicContact CG-CD1 3.86Å |
| 1502 | P | 85.7 | Confident | 89.9 | Confident | 107.8 Ų | 107.8 | 48 Ų | 48 | 70% | 0.7 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.9 | 34.4 | 13.7 | 38.2 | -37.3 | 0 | 0 | 0 | 115.4 | M1507 | P1502-M1507 HydrophobicContact CB-CE 4.38Š|
| 1503 | N | 88.5 | Confident | 89.9 | Confident | 21.8 Ų | 21.8 | 47.6 Ų | 47.6 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | trans | -50.3 | 128.4 | 176.3 | -179.8 | -71.7 | 0 | 0 | 0 | 112.5 | V1498 F1499 R1500 W1505 T1506 M1507 | V1498-N1503 WeakPolarHBondContact O-CB 3.31Å; V1498-N1503 PolarHBondContact O-ND2 2.9Å; F1499-N1503 WeakPolarHBondContact O-CB 3.41Å; R1500-N1503 VanDerWaalsContact O-CB 3.28Å; R1500-N1503 WeakPolarHBondContact O-CB 3.34Å; R1500-N1503 PolarHBondContact O-N 3.27Å; R1500-N1503 VanDerWaalsContact O-N 3.1Å; N1503-W1505 VanDerWaalsContact C-N 3.33Å; N1503-W1505 PolarHBondContact O-N 3.24Å; N1503-W1505 WeakPolarHBondContact OD1-CA 3.37Å; N1503-W1505 VanDerWaalsContact OD1-CB 3.29Å; N1503-W1505 WeakPolarHBondContact OD1-CB 3.37Å; N1503-W1505 PolarHBondContact OD1-N 3.19Å; N1503-T1506 PolarHBondContact O-N 3.15Å; N1503-T1506 PolarHBondContact OD1-N 3.26Å; N1503-T1506 VanDerWaalsContact OD1-N 3.15Å; N1503-M1507 VanDerWaalsContact O-CB 3.3Å; N1503-M1507 WeakPolarHBondContact O-CB 3.25Å; N1503-M1507 WeakPolarHBondContact O-CG 3.39Å; N1503-M1507 PolarHBondContact O-N 3.18Å | ||
| 1504 | P | 88.8 | Confident | 89.8 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 60% | 0.597 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.7 | -35.5 | -174.9 | -7.3 | 8.4 | 0 | 0 | 0 | 114.9 | A1508 | P1504-A1508 VanDerWaalsContact O-CB 3.28Å; P1504-A1508 WeakPolarHBondContact O-CB 3.38Å; P1504-A1508 PolarHBondContact O-N 3.32Å |
| 1505 | W | 91.5 | Very high | 89.7 | Confident | 77.2 Ų | 77.2 | 48 Ų | 48 | 29% | 0.292 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.8 | -48.3 | 178.2 | 177.3 | 92.3 | 0 | 0 | 0 | 110.8 | L1451 V1457 I1464 F1499 N1503 M1507 A1508 I1509 | L1451-W1505 HydrophobicContact CD1-CH2 3.85Å; L1451-W1505 HydrophobicContact CD1-CZ3 3.78Å; L1451-W1505 HydrophobicContact CD2-CH2 3.94Å; L1451-W1505 HydrophobicContact CD2-CZ3 3.88Å; L1451-W1505 HydrophobicContact CG-CH2 4.49Å; L1451-W1505 HydrophobicContact CG-CZ3 4.49Å; V1457-W1505 HydrophobicContact CB-CZ2 4.42Å; I1464-W1505 HydrophobicContact CD1-CH2 3.82Å; I1464-W1505 HydrophobicContact CD1-CZ2 3.76Å; I1464-W1505 HydrophobicContact CG1-CZ2 4.46Å; F1499-W1505 HydrophobicContact CD1-CE3 4.27Å; N1503-W1505 VanDerWaalsContact C-N 3.33Å; N1503-W1505 PolarHBondContact O-N 3.24Å; N1503-W1505 WeakPolarHBondContact OD1-CA 3.37Å; N1503-W1505 VanDerWaalsContact OD1-CB 3.29Å; N1503-W1505 WeakPolarHBondContact OD1-CB 3.37Å; N1503-W1505 PolarHBondContact OD1-N 3.19Å; W1505-M1507 VanDerWaalsContact C-N 3.35Å; W1505-M1507 PolarHBondContact O-N 2.89Å; W1505-A1508 WeakPolarHBondContact O-CB 3.31Å; W1505-A1508 PolarHBondContact O-N 3.06Å; W1505-I1509 HydrophobicContact CD2-CD1 3.84Å; W1505-I1509 HydrophobicContact CE3-CD1 3.93Å; W1505-I1509 HydrophobicContact CH2-CD1 3.63Å; W1505-I1509 HydrophobicContact CZ2-CD1 3.54Å; W1505-I1509 VanDerWaalsContact CZ2-CD1 3.49Å; W1505-I1509 HydrophobicContact CZ3-CD1 3.82Å; W1505-I1509 PolarHBondContact O-N 3.14Å; W1505-I1509 VanDerWaalsContact O-N 3.14Å |
| 1506 | T | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 111 | V1490 A1493 F1499 P1501 N1503 A1508 I1509 L1510 F1537 | V1490-T1506 HydrophobicContact CG1-CG2 4.18Å; A1493-T1506 HydrophobicContact CB-CG2 4.44Å; F1499-T1506 VanDerWaalsContact O-CB 3.31Å; F1499-T1506 WeakPolarHBondContact O-CB 3.31Å; F1499-T1506 PolarHBondContact O-OG1 3Å; P1501-T1506 HydrophobicContact CG-CG2 4.24Å; N1503-T1506 PolarHBondContact O-N 3.15Å; N1503-T1506 PolarHBondContact OD1-N 3.26Å; N1503-T1506 VanDerWaalsContact OD1-N 3.15Å; T1506-A1508 VanDerWaalsContact C-N 3.34Å; T1506-A1508 PolarHBondContact O-N 3.05Å; T1506-I1509 PolarHBondContact O-N 3.16Å; T1506-L1510 HydrophobicContact CG2-CD1 4.11Å; T1506-L1510 HydrophobicContact CG2-CG 4.41Å; T1506-L1510 VanDerWaalsContact O-CG 3.32Å; T1506-L1510 WeakPolarHBondContact O-CG 3.29Å; T1506-L1510 PolarHBondContact O-N 3.16Å; T1506-F1537 HydrophobicContact CG2-CE1 4.43Å; T1506-F1537 HydrophobicContact CG2-CZ 4.06Å |
| 1507 | M | 91.6 | Very high | 89.6 | Confident | 38.8 Ų | 38.8 | 44.6 Ų | 44.6 | 19% | 0.191 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.8 | -77.7 | -65.5 | -159.8 | 0 | 0 | 112.2 | P1501 P1502 N1503 W1505 I1509 L1510 K1511 L1539 I1544 | P1501-M1507 HydrophobicContact CB-CE 3.61Å; P1501-M1507 HydrophobicContact CB-SD 3.97Å; P1501-M1507 HydrophobicContact CG-CE 4.1Å; P1501-M1507 HydrophobicContact CG-SD 4.41Å; P1502-M1507 HydrophobicContact CB-CE 4.38Å; N1503-M1507 VanDerWaalsContact O-CB 3.3Å; N1503-M1507 WeakPolarHBondContact O-CB 3.25Å; N1503-M1507 WeakPolarHBondContact O-CG 3.39Å; N1503-M1507 PolarHBondContact O-N 3.18Å; W1505-M1507 VanDerWaalsContact C-N 3.35Å; W1505-M1507 PolarHBondContact O-N 2.89Å; M1507-I1509 VanDerWaalsContact C-N 3.33Å; M1507-I1509 PolarHBondContact O-N 3.1Å; M1507-L1510 HydrophobicContact CE-CD1 4.43Å; M1507-L1510 PolarHBondContact O-N 3.22Å; M1507-L1510 HydrophobicContact SD-CD1 4.27Å; M1507-K1511 WeakPolarHBondContact O-CB 3.25Å; M1507-K1511 VanDerWaalsContact O-CG 3.24Å; M1507-K1511 WeakPolarHBondContact O-CG 3.3Å; M1507-K1511 PolarHBondContact O-N 3.24Å; M1507-L1539 HydrophobicContact CE-CD1 4.2Å; M1507-I1544 HydrophobicContact CE-CD1 4.11Å; M1507-I1544 HydrophobicContact CE-CG1 4.44Å; M1507-I1544 HydrophobicContact CE-CG2 4.18Å; M1507-I1544 HydrophobicContact SD-CD1 4.22Å |
| 1508 | A | 89.6 | Confident | 89.5 | Confident | 33.6 Ų | 33.6 | 39.9 Ų | 39.9 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1465 P1504 W1505 T1506 K1511 V1512 | K1465-A1508 HydrophobicContact CD-CB 4.04Å; P1504-A1508 VanDerWaalsContact O-CB 3.28Å; P1504-A1508 WeakPolarHBondContact O-CB 3.38Å; P1504-A1508 PolarHBondContact O-N 3.32Å; W1505-A1508 WeakPolarHBondContact O-CB 3.31Å; W1505-A1508 PolarHBondContact O-N 3.06Å; T1506-A1508 VanDerWaalsContact C-N 3.34Å; T1506-A1508 PolarHBondContact O-N 3.05Å; A1508-K1511 PolarHBondContact O-N 3.12Å; A1508-V1512 WeakPolarHBondContact O-CG2 3.42Å; A1508-V1512 PolarHBondContact O-N 3.08Å; A1508-V1512 VanDerWaalsContact O-N 3.15Å |
| 1509 | I | 91.8 | Very high | 89.3 | Confident | 1.6 Ų | 1.6 | 37.7 Ų | 37.7 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 177.5 | -61.7 | 162.5 | 0 | 0 | 0 | 111 | I1464 K1465 I1468 V1486 V1490 W1505 T1506 M1507 K1511 V1512 L1513 | I1464-I1509 HydrophobicContact CB-CD1 4.12Å; I1464-I1509 HydrophobicContact CD1-CD1 4.37Å; I1464-I1509 HydrophobicContact CG2-CD1 3.81Å; I1464-I1509 HydrophobicContact CG2-CG1 4.15Å; I1464-I1509 HydrophobicContact CG2-CG2 4.09Å; K1465-I1509 HydrophobicContact CD-CG1 4.49Å; K1465-I1509 HydrophobicContact CG-CG1 3.88Å; I1468-I1509 HydrophobicContact CD1-CG2 4.13Å; V1486-I1509 HydrophobicContact CG1-CG2 4Å; V1490-I1509 HydrophobicContact CG2-CD1 4.22Å; V1490-I1509 HydrophobicContact CG2-CG2 3.94Å; W1505-I1509 HydrophobicContact CD2-CD1 3.84Å; W1505-I1509 HydrophobicContact CE3-CD1 3.93Å; W1505-I1509 HydrophobicContact CH2-CD1 3.63Å; W1505-I1509 HydrophobicContact CZ2-CD1 3.54Å; W1505-I1509 VanDerWaalsContact CZ2-CD1 3.49Å; W1505-I1509 HydrophobicContact CZ3-CD1 3.82Å; W1505-I1509 PolarHBondContact O-N 3.14Å; W1505-I1509 VanDerWaalsContact O-N 3.14Å; T1506-I1509 PolarHBondContact O-N 3.16Å; M1507-I1509 VanDerWaalsContact C-N 3.33Å; M1507-I1509 PolarHBondContact O-N 3.1Å; I1509-K1511 VanDerWaalsContact C-N 3.32Å; I1509-K1511 PolarHBondContact O-N 2.96Å; I1509-V1512 PolarHBondContact O-N 3Å; I1509-V1512 VanDerWaalsContact O-N 3.17Å; I1509-L1513 HydrophobicContact CG2-CD1 4.24Å; I1509-L1513 HydrophobicContact CG2-CG 4.47Å; I1509-L1513 WeakPolarHBondContact O-CG 3.33Å; I1509-L1513 PolarHBondContact O-N 3.08Å |
| 1510 | L | 91.9 | Very high | 88.5 | Confident | 0.2 Ų | 0.2 | 44.1 Ų | 44.1 | 0% | 0.001 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 176.9 | -70.8 | 175.9 | 0 | 0 | 0 | 111.9 | P1501 T1506 M1507 V1512 L1513 R1514 L1533 Y1534 F1537 L1539 I1544 | P1501-L1510 HydrophobicContact CG-CD1 4.15Å; T1506-L1510 HydrophobicContact CG2-CD1 4.11Å; T1506-L1510 HydrophobicContact CG2-CG 4.41Å; T1506-L1510 VanDerWaalsContact O-CG 3.32Å; T1506-L1510 WeakPolarHBondContact O-CG 3.29Å; T1506-L1510 PolarHBondContact O-N 3.16Å; M1507-L1510 HydrophobicContact CE-CD1 4.43Å; M1507-L1510 PolarHBondContact O-N 3.22Å; M1507-L1510 HydrophobicContact SD-CD1 4.27Å; L1510-V1512 VanDerWaalsContact C-N 3.33Å; L1510-V1512 PolarHBondContact O-N 2.97Å; L1510-L1513 CarbonylContact O-C 3.55Å; L1510-L1513 PolarHBondContact O-N 3.15Å; L1510-R1514 WeakPolarHBondContact O-CB 3.23Å; L1510-R1514 PolarHBondContact O-N 3.03Å; L1510-L1533 HydrophobicContact CD2-CD2 3.89Å; L1510-L1533 HydrophobicContact CD2-CG 4.28Å; L1510-Y1534 HydrophobicContact CB-CE2 4.41Å; L1510-Y1534 HydrophobicContact CD2-CD2 4.27Å; L1510-Y1534 HydrophobicContact CD2-CE2 3.84Å; L1510-Y1534 PolarHBondContact O-OH 3.06Å; L1510-Y1534 VanDerWaalsContact O-OH 3.08Å; L1510-F1537 HydrophobicContact CD1-CD2 4.36Å; L1510-F1537 HydrophobicContact CD1-CE2 4.39Å; L1510-F1537 HydrophobicContact CD2-CD2 4.28Å; L1510-F1537 HydrophobicContact CD2-CE2 4.19Å; L1510-L1539 HydrophobicContact CD1-CD1 4.07Å; L1510-I1544 HydrophobicContact CB-CD1 4.43Å; L1510-I1544 HydrophobicContact CD1-CD1 4.39Å |
| 1511 | K | 91.1 | Very high | 87.9 | Confident | 78.8 Ų | 78.8 | 43.7 Ų | 43.7 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 175.9 | -71.6 | -178.5 | 176.4 | -174.3 | 0 | 113.1 | M1507 A1508 I1509 R1514 E1515 I1544 P1545 A1547 | M1507-K1511 WeakPolarHBondContact O-CB 3.25Å; M1507-K1511 VanDerWaalsContact O-CG 3.24Å; M1507-K1511 WeakPolarHBondContact O-CG 3.3Å; M1507-K1511 PolarHBondContact O-N 3.24Å; A1508-K1511 PolarHBondContact O-N 3.12Å; I1509-K1511 VanDerWaalsContact C-N 3.32Å; I1509-K1511 PolarHBondContact O-N 2.96Å; K1511-R1514 WeakPolarHBondContact O-CB 3.36Å; K1511-R1514 PolarHBondContact O-N 3.11Å; K1511-E1515 PolarHBondContact O-N 3.1Å; K1511-I1544 HydrophobicContact CG-CG2 3.74Å; K1511-P1545 VanDerWaalsContact CG-O 3.29Å; K1511-P1545 WeakPolarHBondContact CG-O 3.37Å; K1511-A1547 HydrophobicContact CB-CB 4.06Å; K1511-A1547 WeakPolarHBondContact O-CB 3.44Å; K1511-A1547 PolarHBondContact O-N 3.18Å |
| 1512 | V | 91 | Very high | 87.7 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | K1465 I1468 Y1469 A1508 I1509 L1510 R1514 E1515 L1516 A1547 F1549 L1550 | K1465-V1512 HydrophobicContact CD-CG2 4.46Å; K1465-V1512 HydrophobicContact CG-CG2 4.05Å; I1468-V1512 HydrophobicContact CB-CG1 4.24Å; I1468-V1512 HydrophobicContact CD1-CB 4.47Å; I1468-V1512 HydrophobicContact CD1-CG1 4.07Å; I1468-V1512 HydrophobicContact CG2-CG1 3.88Å; Y1469-V1512 HydrophobicContact CD1-CG1 4.08Å; Y1469-V1512 HydrophobicContact CE1-CB 4.34Å; Y1469-V1512 HydrophobicContact CE1-CG1 3.53Å; Y1469-V1512 VanDerWaalsContact CE1-CG1 3.5Å; Y1469-V1512 HydrophobicContact CE1-CG2 3.81Å; Y1469-V1512 VanDerWaalsContact OH-CG2 3.29Å; Y1469-V1512 WeakPolarHBondContact OH-CG2 3.25Å; A1508-V1512 WeakPolarHBondContact O-CG2 3.42Å; A1508-V1512 PolarHBondContact O-N 3.08Å; A1508-V1512 VanDerWaalsContact O-N 3.15Å; I1509-V1512 PolarHBondContact O-N 3Å; I1509-V1512 VanDerWaalsContact O-N 3.17Å; L1510-V1512 VanDerWaalsContact C-N 3.33Å; L1510-V1512 PolarHBondContact O-N 2.97Å; V1512-R1514 VanDerWaalsContact C-N 3.33Å; V1512-R1514 PolarHBondContact O-N 3.2Å; V1512-E1515 WeakPolarHBondContact O-CB 3.45Å; V1512-E1515 PolarHBondContact O-N 3.1Å; V1512-L1516 WeakPolarHBondContact O-CB 3.35Å; V1512-L1516 PolarHBondContact O-N 3.08Å; V1512-A1547 HydrophobicContact CG2-CB 4.07Å; V1512-F1549 HydrophobicContact CB-CD1 4.45Å; V1512-F1549 HydrophobicContact CG1-CD1 4.01Å; V1512-F1549 HydrophobicContact CG2-CB 3.96Å; V1512-F1549 HydrophobicContact CG2-CD1 3.58Å; V1512-F1549 HydrophobicContact CG2-CE1 4.34Å; V1512-F1549 HydrophobicContact CG2-CG 3.96Å; V1512-L1550 HydrophobicContact CG1-CD1 4.31Å; V1512-L1550 HydrophobicContact CG1-CD2 4.01Å; V1512-L1550 HydrophobicContact CG1-CG 4.07Å |
| 1513 | L | 90.5 | Very high | 87.7 | Confident | 0.4 Ų | 0.4 | 43 Ų | 43 | 0% | 0.002 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -32.9 | 174.1 | -67.6 | 175.4 | 0 | 0 | 0 | 112.5 | I1468 V1483 I1509 L1510 L1516 Y1517 I1530 L1533 | I1468-L1513 HydrophobicContact CD1-CD2 4.01Å; I1468-L1513 HydrophobicContact CD1-CG 4.33Å; V1483-L1513 HydrophobicContact CG1-CD2 4.4Å; I1509-L1513 HydrophobicContact CG2-CD1 4.24Å; I1509-L1513 HydrophobicContact CG2-CG 4.47Å; I1509-L1513 WeakPolarHBondContact O-CG 3.33Å; I1509-L1513 PolarHBondContact O-N 3.08Å; L1510-L1513 CarbonylContact O-C 3.55Å; L1510-L1513 PolarHBondContact O-N 3.15Å; L1513-L1516 HydrophobicContact CD2-CD2 4.46Å; L1513-L1516 PolarHBondContact O-N 3.27Å; L1513-Y1517 WeakPolarHBondContact O-CB 3.38Å; L1513-Y1517 PolarHBondContact O-N 3.06Å; L1513-I1530 HydrophobicContact CB-CG1 4.45Å; L1513-I1530 HydrophobicContact CB-CG2 4.28Å; L1513-I1530 HydrophobicContact CD2-CG1 4.45Å; L1513-L1533 HydrophobicContact CD1-CD2 3.54Å; L1513-L1533 VanDerWaalsContact CD1-CD2 3.47Å |
| 1514 | R | 89.9 | Confident | 87.5 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 171 | 175.4 | 64.4 | -158.5 | -146.4 | 7.1 | 111.5 | L1510 K1511 V1512 L1516 Y1517 D1518 Y1534 L1541 N1542 | L1510-R1514 WeakPolarHBondContact O-CB 3.23Å; L1510-R1514 PolarHBondContact O-N 3.03Å; K1511-R1514 WeakPolarHBondContact O-CB 3.36Å; K1511-R1514 PolarHBondContact O-N 3.11Å; V1512-R1514 VanDerWaalsContact C-N 3.33Å; V1512-R1514 PolarHBondContact O-N 3.2Å; R1514-L1516 VanDerWaalsContact C-N 3.29Å; R1514-L1516 PolarHBondContact O-N 3.33Å; R1514-Y1517 WeakPolarHBondContact O-CB 3.41Å; R1514-Y1517 PolarHBondContact O-N 3.15Å; R1514-Y1517 VanDerWaalsContact O-N 3.14Å; R1514-D1518 IonicContact CZ-OD1 3.23Å; R1514-D1518 VanDerWaalsContact CZ-OD1 3.27Å; R1514-D1518 IonicContact CZ-OD2 3.08Å; R1514-D1518 VanDerWaalsContact NE-CG 3.34Å; R1514-D1518 IonicContact NE-OD1 3.21Å; R1514-D1518 PolarHBondContact NE-OD1 3.31Å; R1514-D1518 VanDerWaalsContact NE-OD1 3.11Å; R1514-D1518 IonicContact NE-OD2 3Å; R1514-D1518 PolarHBondContact NE-OD2 3.12Å; R1514-D1518 IonicContact NH1-OD1 2.77Å; R1514-D1518 PolarHBondContact NH1-OD1 2.91Å; R1514-D1518 IonicContact NH2-OD1 3.43Å; R1514-D1518 PolarHBondContact NH2-OD1 3.15Å; R1514-D1518 IonicContact NH2-OD2 3.29Å; R1514-D1518 PolarHBondContact NH2-OD2 3.44Å; R1514-D1518 VanDerWaalsContact O-CG 3.31Å; R1514-D1518 PolarHBondContact O-N 3.23Å; R1514-D1518 VanDerWaalsContact O-N 3.1Å; R1514-Y1534 WeakPolarHBondContact CB-OH 3.39Å; R1514-L1541 PolarHBondContact NE-O 2.84Å; R1514-L1541 PolarHBondContact NH1-O 3.07Å; R1514-N1542 PolarHBondContact NH1-OD1 3.18Å; R1514-N1542 PolarHBondContact NH2-OD1 3.29Å |
| 1515 | E | 89.6 | Confident | 87.3 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -45.2 | 174.2 | -174.1 | 177.9 | -171.6 | 0 | 0 | 111 | K1511 V1512 Y1517 D1518 M1519 S1546 A1547 N1548 F1549 L1550 R1551 | K1511-E1515 PolarHBondContact O-N 3.1Å; V1512-E1515 WeakPolarHBondContact O-CB 3.45Å; V1512-E1515 PolarHBondContact O-N 3.1Å; E1515-Y1517 VanDerWaalsContact C-N 3.33Å; E1515-Y1517 PolarHBondContact O-N 3.32Å; E1515-D1518 PolarHBondContact O-N 3.18Å; E1515-M1519 WeakPolarHBondContact O-CG 3.35Å; E1515-M1519 PolarHBondContact O-N 3.05Å; E1515-S1546 VanDerWaalsContact CA-OG 3.3Å; E1515-S1546 WeakPolarHBondContact CA-OG 3.24Å; E1515-S1546 WeakPolarHBondContact CB-OG 3.43Å; E1515-S1546 WeakPolarHBondContact CG-OG 3.35Å; E1515-A1547 HydrophobicContact CB-CB 4.08Å; E1515-A1547 VanDerWaalsContact CB-O 3.26Å; E1515-A1547 WeakPolarHBondContact CB-O 3.42Å; E1515-A1547 VanDerWaalsContact CG-O 3.29Å; E1515-A1547 WeakPolarHBondContact CG-O 3.4Å; E1515-A1547 VanDerWaalsContact OE2-C 3.27Å; E1515-A1547 WeakPolarHBondContact OE2-CB 3.21Å; E1515-A1547 VanDerWaalsContact OE2-O 3.06Å; E1515-N1548 VanDerWaalsContact OE1-CA 3.28Å; E1515-N1548 WeakPolarHBondContact OE1-CA 3.44Å; E1515-N1548 PolarHBondContact OE2-N 2.97Å; E1515-F1549 VanDerWaalsContact CD-N 3.33Å; E1515-F1549 PolarHBondContact OE1-N 3.2Å; E1515-F1549 WeakPolarHBondContact OE2-CA 3.44Å; E1515-F1549 PolarHBondContact OE2-N 3.16Å; E1515-L1550 HydrophobicContact CB-CD1 4.41Å; E1515-L1550 VanDerWaalsContact CD-N 3.28Å; E1515-L1550 HydrophobicContact CG-CB 4.26Å; E1515-L1550 HydrophobicContact CG-CD1 4.27Å; E1515-L1550 HydrophobicContact CG-CG 4.47Å; E1515-L1550 WeakPolarHBondContact OE1-CA 3.24Å; E1515-L1550 WeakPolarHBondContact OE1-CB 3.28Å; E1515-L1550 PolarHBondContact OE1-N 3.29Å; E1515-L1550 PolarHBondContact OE2-N 3.12Å; E1515-L1550 VanDerWaalsContact OE2-N 3.12Å; E1515-R1551 WeakPolarHBondContact OE1-CG 3.27Å; E1515-R1551 PolarHBondContact OE1-N 3.14Å; E1515-R1551 VanDerWaalsContact OE1-N 3.13Å |
| 1516 | L | 87.4 | Confident | 87.2 | Confident | 0.2 Ų | 0.2 | 43.2 Ų | 43.2 | 0% | 0.001 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 176.5 | -170.7 | 65.3 | 0 | 0 | 0 | 112.7 | I1468 Y1472 T1479 V1483 V1512 L1513 R1514 D1518 M1519 V1522 I1530 L1550 | I1468-L1516 HydrophobicContact CG2-CD2 4.26Å; Y1472-L1516 HydrophobicContact CD2-CD1 3.53Å; Y1472-L1516 VanDerWaalsContact CD2-CD1 3.49Å; Y1472-L1516 HydrophobicContact CE2-CD1 4.05Å; Y1472-L1516 HydrophobicContact CG-CD1 4.35Å; T1479-L1516 HydrophobicContact CG2-CD2 4.35Å; V1483-L1516 HydrophobicContact CG1-CD2 4.47Å; V1483-L1516 HydrophobicContact CG2-CD2 3.45Å; V1483-L1516 VanDerWaalsContact CG2-CD2 3.45Å; V1512-L1516 WeakPolarHBondContact O-CB 3.35Å; V1512-L1516 PolarHBondContact O-N 3.08Å; L1513-L1516 HydrophobicContact CD2-CD2 4.46Å; L1513-L1516 PolarHBondContact O-N 3.27Å; R1514-L1516 VanDerWaalsContact C-N 3.29Å; R1514-L1516 PolarHBondContact O-N 3.33Å; L1516-D1518 VanDerWaalsContact C-N 3.32Å; L1516-D1518 PolarHBondContact O-N 3.35Å; L1516-M1519 HydrophobicContact CD1-SD 4.19Å; L1516-M1519 PolarHBondContact O-N 3.19Å; L1516-V1522 HydrophobicContact CD1-CG2 3.58Å; L1516-V1522 HydrophobicContact CG-CG1 4.49Å; L1516-V1522 HydrophobicContact CG-CG2 3.98Å; L1516-V1522 WeakPolarHBondContact O-CG2 3.44Å; L1516-I1530 HydrophobicContact CD2-CD1 4.41Å; L1516-L1550 HydrophobicContact CB-CD1 3.96Å; L1516-L1550 HydrophobicContact CD1-CD1 3.96Å; L1516-L1550 HydrophobicContact CG-CD1 4.38Å |
| 1517 | Y | 87.8 | Confident | 87 | Confident | 55.8 Ų | 55.8 | 45.4 Ų | 45.4 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.7 | -179 | -81 | 0 | 0 | 0 | 112 | L1513 R1514 E1515 M1519 R1527 I1530 E1531 L1541 | L1513-Y1517 WeakPolarHBondContact O-CB 3.38Å; L1513-Y1517 PolarHBondContact O-N 3.06Å; R1514-Y1517 WeakPolarHBondContact O-CB 3.41Å; R1514-Y1517 PolarHBondContact O-N 3.15Å; R1514-Y1517 VanDerWaalsContact O-N 3.14Å; E1515-Y1517 VanDerWaalsContact C-N 3.33Å; E1515-Y1517 PolarHBondContact O-N 3.32Å; Y1517-M1519 PolarHBondContact O-N 3.2Å; Y1517-R1527 HydrophobicContact CD2-CB 3.74Å; Y1517-R1527 HydrophobicContact CD2-CG 3.94Å; Y1517-R1527 HydrophobicContact CE2-CB 3.59Å; Y1517-R1527 HydrophobicContact CE2-CG 4.1Å; Y1517-R1527 HydrophobicContact CG-CG 4.44Å; Y1517-R1527 PolarHBondContact O-NE 3.28Å; Y1517-I1530 HydrophobicContact CD2-CB 4.43Å; Y1517-I1530 HydrophobicContact CD2-CG2 4.33Å; Y1517-E1531 HydrophobicContact CE2-CG 4.02Å; Y1517-E1531 WeakPolarHBondContact CE2-OE1 3.44Å; Y1517-E1531 PolarHBondContact OH-OE1 3.39Å; Y1517-L1541 HydrophobicContact CD1-CD2 3.82Å; Y1517-L1541 HydrophobicContact CD2-CD1 4.28Å; Y1517-L1541 HydrophobicContact CD2-CD2 4.02Å; Y1517-L1541 HydrophobicContact CE1-CD1 4.24Å; Y1517-L1541 HydrophobicContact CE1-CD2 3.69Å; Y1517-L1541 VanDerWaalsContact CE1-CD2 3.43Å; Y1517-L1541 HydrophobicContact CE2-CD1 3.75Å; Y1517-L1541 HydrophobicContact CE2-CD2 3.65Å; Y1517-L1541 HydrophobicContact CG-CD2 3.9Å; Y1517-L1541 VanDerWaalsContact CZ-CD2 3.49Å |
| 1518 | D | 86.5 | Confident | 87 | Confident | 59.8 Ų | 59.8 | 49.4 Ų | 49.4 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -3.3 | -179 | -66.1 | -30.6 | 0 | 0 | 0 | 113.5 | R1514 E1515 L1516 S1546 | R1514-D1518 IonicContact CZ-OD1 3.23Å; R1514-D1518 VanDerWaalsContact CZ-OD1 3.27Å; R1514-D1518 IonicContact CZ-OD2 3.08Å; R1514-D1518 VanDerWaalsContact NE-CG 3.34Å; R1514-D1518 IonicContact NE-OD1 3.21Å; R1514-D1518 PolarHBondContact NE-OD1 3.31Å; R1514-D1518 VanDerWaalsContact NE-OD1 3.11Å; R1514-D1518 IonicContact NE-OD2 3Å; R1514-D1518 PolarHBondContact NE-OD2 3.12Å; R1514-D1518 IonicContact NH1-OD1 2.77Å; R1514-D1518 PolarHBondContact NH1-OD1 2.91Å; R1514-D1518 IonicContact NH2-OD1 3.43Å; R1514-D1518 PolarHBondContact NH2-OD1 3.15Å; R1514-D1518 IonicContact NH2-OD2 3.29Å; R1514-D1518 PolarHBondContact NH2-OD2 3.44Å; R1514-D1518 VanDerWaalsContact O-CG 3.31Å; R1514-D1518 PolarHBondContact O-N 3.23Å; R1514-D1518 VanDerWaalsContact O-N 3.1Å; E1515-D1518 PolarHBondContact O-N 3.18Å; L1516-D1518 VanDerWaalsContact C-N 3.32Å; L1516-D1518 PolarHBondContact O-N 3.35Å; D1518-S1546 WeakPolarHBondContact OD2-CB 3.38Å; D1518-S1546 PolarHBondContact OD2-OG 3.25Å |
| 1519 | M | 82.9 | Confident | 87.1 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | trans | -85.6 | 139 | 178.2 | -51 | -154.9 | 79.4 | 0 | 0 | 111.8 | Y1472 E1515 L1516 Y1517 N1521 V1522 R1527 L1550 | Y1472-M1519 HydrophobicContact CD2-SD 4.19Å; Y1472-M1519 HydrophobicContact CE1-CE 4.01Å; Y1472-M1519 HydrophobicContact CE1-SD 4.24Å; Y1472-M1519 HydrophobicContact CE2-CE 4.06Å; Y1472-M1519 HydrophobicContact CE2-SD 3.64Å; Y1472-M1519 VanDerWaalsContact CE2-SD 3.53Å; Y1472-M1519 WeakPolarHBondContact CE2-SD 3.21Å; Y1472-M1519 VanDerWaalsContact CZ-SD 3.56Å; Y1472-M1519 WeakPolarHBondContact OH-CE 3.39Å; Y1472-M1519 PolarHBondContact OH-SD 3.32Å; Y1472-M1519 VanDerWaalsContact OH-SD 3.38Å; E1515-M1519 WeakPolarHBondContact O-CG 3.35Å; E1515-M1519 PolarHBondContact O-N 3.05Å; L1516-M1519 HydrophobicContact CD1-SD 4.19Å; L1516-M1519 PolarHBondContact O-N 3.19Å; Y1517-M1519 PolarHBondContact O-N 3.2Å; M1519-N1521 VanDerWaalsContact C-N 3.33Å; M1519-N1521 WeakPolarHBondContact CB-OD1 3.42Å; M1519-N1521 PolarHBondContact O-N 3.43Å; M1519-V1522 HydrophobicContact CB-CG2 4.09Å; M1519-V1522 PolarHBondContact O-N 3.27Å; M1519-R1527 PolarHBondContact O-NH2 3.15Å; M1519-L1550 HydrophobicContact CE-CB 4.25Å; M1519-L1550 HydrophobicContact SD-CB 4.25Å; M1519-L1550 HydrophobicContact SD-CD1 3.91Å; M1519-L1550 HydrophobicContact SD-CG 4.5Å | ||
| 1520 | D | 74.4 | Confident | 87.1 | Confident | 154.4 Ų | 154.4 | 48.8 Ų | 48.8 | 83% | 0.826 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -31.8 | -176 | -46.4 | -36.8 | 0 | 0 | 0 | 113.6 | V1522 R1527 | D1520-V1522 VanDerWaalsContact C-N 3.31Å; D1520-V1522 PolarHBondContact O-N 3.28Å; D1520-R1527 PolarHBondContact O-NH2 3.04Å |
| 1521 | N | 77.3 | Confident | 87.1 | Confident | 102.2 Ų | 102.2 | 51 Ų | 51 | 55% | 0.547 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.3 | -175.7 | 65.8 | -9.4 | 0 | 0 | 0 | 114.7 | Y1472 M1519 | Y1472-N1521 WeakPolarHBondContact CE2-ND2 3.32Å; Y1472-N1521 PolarHBondContact OH-ND2 3.17Å; Y1472-N1521 PolarHBondContact OH-OD1 3.26Å; M1519-N1521 VanDerWaalsContact C-N 3.33Å; M1519-N1521 WeakPolarHBondContact CB-OD1 3.42Å; M1519-N1521 PolarHBondContact O-N 3.43Å |
| 1522 | V | 82.7 | Confident | 87.1 | Confident | 10.2 Ų | 10.2 | 50.7 Ų | 50.7 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -80.6 | 137.7 | 179.6 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | Y1472 L1516 M1519 D1520 L1526 R1527 | Y1472-V1522 HydrophobicContact CE2-CG2 4.47Å; L1516-V1522 HydrophobicContact CD1-CG2 3.58Å; L1516-V1522 HydrophobicContact CG-CG1 4.49Å; L1516-V1522 HydrophobicContact CG-CG2 3.98Å; L1516-V1522 WeakPolarHBondContact O-CG2 3.44Å; M1519-V1522 HydrophobicContact CB-CG2 4.09Å; M1519-V1522 PolarHBondContact O-N 3.27Å; D1520-V1522 VanDerWaalsContact C-N 3.31Å; D1520-V1522 PolarHBondContact O-N 3.28Å; V1522-L1526 HydrophobicContact CG1-CB 3.68Å; V1522-L1526 HydrophobicContact CG1-CD1 3.86Å; V1522-L1526 HydrophobicContact CG1-CG 4.41Å; V1522-R1527 HydrophobicContact CG1-CG 4.33Å; V1522-R1527 PolarHBondContact O-NH1 3.05Å; V1522-R1527 PolarHBondContact O-NH2 3.35Å |
| 1523 | K | 84.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 50.8 Ų | 50.8 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | trans | -75.9 | 145.5 | 179.9 | -66.5 | -178 | 176.3 | 178.6 | 0 | 111.5 | W1525 L1526 R1527 | K1523-W1525 VanDerWaalsContact C-N 3.27Å; K1523-W1525 VanDerWaalsContact CB-CD1 3.47Å; K1523-W1525 HydrophobicContact CB-CG 4.48Å; K1523-W1525 VanDerWaalsContact CB-NE1 3.31Å; K1523-W1525 PolarHBondContact O-N 3.06Å; K1523-W1525 VanDerWaalsContact O-N 3.13Å; K1523-L1526 HydrophobicContact CB-CD1 4.5Å; K1523-L1526 VanDerWaalsContact O-CB 3.28Å; K1523-L1526 WeakPolarHBondContact O-CB 3.35Å; K1523-L1526 PolarHBondContact O-N 3.13Å; K1523-R1527 PolarHBondContact O-N 3.12Å | ||
| 1524 | D | 85.1 | Confident | 87.2 | Confident | 104.8 Ų | 104.8 | 50.9 Ų | 50.9 | 56% | 0.56 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.1 | -31.9 | -174.5 | -60.1 | -45 | 0 | 0 | 0 | 114.8 | L1526 R1527 F1528 | D1524-L1526 VanDerWaalsContact C-N 3.25Å; D1524-L1526 PolarHBondContact O-N 3.05Å; D1524-R1527 CarbonylContact O-C 3.59Å; D1524-R1527 WeakPolarHBondContact O-CA 3.32Å; D1524-R1527 VanDerWaalsContact O-CB 3.31Å; D1524-R1527 WeakPolarHBondContact O-CB 3.4Å; D1524-R1527 PolarHBondContact O-N 3.18Å; D1524-R1527 VanDerWaalsContact O-N 3.08Å; D1524-R1527 IonicContact OD1-CZ 3.57Å; D1524-R1527 IonicContact OD1-NH1 3.28Å; D1524-R1527 PolarHBondContact OD1-NH1 3.27Å; D1524-F1528 HydrophobicContact CB-CE2 4.28Å; D1524-F1528 VanDerWaalsContact O-CD2 3.29Å; D1524-F1528 WeakPolarHBondContact O-CD2 3.4Å; D1524-F1528 WeakPolarHBondContact O-CG 3.37Å; D1524-F1528 PolarHBondContact O-N 3.1Å |
| 1525 | W | 83.8 | Confident | 87.3 | Confident | 86.8 Ų | 86.8 | 57.7 Ų | 57.7 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.7 | -24.5 | 177.4 | 70.8 | -93.1 | 0 | 0 | 0 | 112.8 | Q1480 P1484 K1523 E1529 | Q1480-W1525 VanDerWaalsContact CA-CH2 3.46Å; Q1480-W1525 HydrophobicContact CB-CH2 3.63Å; Q1480-W1525 HydrophobicContact CB-CZ2 3.54Å; Q1480-W1525 VanDerWaalsContact CB-CZ2 3.48Å; Q1480-W1525 VanDerWaalsContact CD-CZ2 3.48Å; Q1480-W1525 HydrophobicContact CG-CH2 3.34Å; Q1480-W1525 VanDerWaalsContact CG-CH2 3.42Å; Q1480-W1525 HydrophobicContact CG-CZ2 3.33Å; Q1480-W1525 VanDerWaalsContact CG-CZ2 3.4Å; Q1480-W1525 HydrophobicContact CG-CZ3 4.42Å; Q1480-W1525 WeakPolarHBondContact O-CH2 3.39Å; P1484-W1525 HydrophobicContact CG-CH2 4.24Å; P1484-W1525 HydrophobicContact CG-CZ3 3.8Å; K1523-W1525 VanDerWaalsContact C-N 3.27Å; K1523-W1525 VanDerWaalsContact CB-CD1 3.47Å; K1523-W1525 HydrophobicContact CB-CG 4.48Å; K1523-W1525 VanDerWaalsContact CB-NE1 3.31Å; K1523-W1525 PolarHBondContact O-N 3.06Å; K1523-W1525 VanDerWaalsContact O-N 3.13Å; W1525-E1529 PolarHBondContact O-N 3.3Å |
| 1526 | L | 89.9 | Confident | 87.2 | Confident | 4.6 Ų | 4.6 | 59 Ų | 59 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.9 | -42.5 | 169.5 | -73 | 166.9 | 0 | 0 | 0 | 110.9 | T1479 V1483 P1484 V1522 K1523 D1524 F1528 E1529 I1530 | T1479-L1526 HydrophobicContact CG2-CD1 3.86Å; V1483-L1526 HydrophobicContact CB-CD2 3.63Å; V1483-L1526 HydrophobicContact CG1-CD2 3.78Å; V1483-L1526 HydrophobicContact CG2-CD2 4.21Å; P1484-L1526 HydrophobicContact CG-CD2 4.41Å; V1522-L1526 HydrophobicContact CG1-CB 3.68Å; V1522-L1526 HydrophobicContact CG1-CD1 3.86Å; V1522-L1526 HydrophobicContact CG1-CG 4.41Å; K1523-L1526 HydrophobicContact CB-CD1 4.5Å; K1523-L1526 VanDerWaalsContact O-CB 3.28Å; K1523-L1526 WeakPolarHBondContact O-CB 3.35Å; K1523-L1526 PolarHBondContact O-N 3.13Å; D1524-L1526 VanDerWaalsContact C-N 3.25Å; D1524-L1526 PolarHBondContact O-N 3.05Å; L1526-F1528 VanDerWaalsContact C-N 3.27Å; L1526-F1528 PolarHBondContact O-N 2.99Å; L1526-E1529 PolarHBondContact O-N 3.27Å; L1526-E1529 VanDerWaalsContact O-N 3.17Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.23Å; L1526-I1530 PolarHBondContact O-N 2.99Å |
| 1527 | R | 88.5 | Confident | 87.3 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 18% | 0.177 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57 | -43.1 | 173.9 | -64.2 | -176.5 | 179.6 | 123.3 | 2.3 | 110.8 | Y1517 M1519 D1520 V1522 K1523 D1524 E1529 I1530 E1531 | Y1517-R1527 HydrophobicContact CD2-CB 3.74Å; Y1517-R1527 HydrophobicContact CD2-CG 3.94Å; Y1517-R1527 HydrophobicContact CE2-CB 3.59Å; Y1517-R1527 HydrophobicContact CE2-CG 4.1Å; Y1517-R1527 HydrophobicContact CG-CG 4.44Å; Y1517-R1527 PolarHBondContact O-NE 3.28Å; M1519-R1527 PolarHBondContact O-NH2 3.15Å; D1520-R1527 PolarHBondContact O-NH2 3.04Å; V1522-R1527 HydrophobicContact CG1-CG 4.33Å; V1522-R1527 PolarHBondContact O-NH1 3.05Å; V1522-R1527 PolarHBondContact O-NH2 3.35Å; K1523-R1527 PolarHBondContact O-N 3.12Å; D1524-R1527 CarbonylContact O-C 3.59Å; D1524-R1527 WeakPolarHBondContact O-CA 3.32Å; D1524-R1527 VanDerWaalsContact O-CB 3.31Å; D1524-R1527 WeakPolarHBondContact O-CB 3.4Å; D1524-R1527 PolarHBondContact O-N 3.18Å; D1524-R1527 VanDerWaalsContact O-N 3.08Å; D1524-R1527 IonicContact OD1-CZ 3.57Å; D1524-R1527 IonicContact OD1-NH1 3.28Å; D1524-R1527 PolarHBondContact OD1-NH1 3.27Å; R1527-E1529 PolarHBondContact O-N 3.34Å; R1527-I1530 WeakPolarHBondContact O-CB 3.32Å; R1527-I1530 PolarHBondContact O-N 3.07Å; R1527-E1531 PolarHBondContact O-N 3.01Å |
| 1528 | F | 91.2 | Very high | 87.2 | Confident | 122.6 Ų | 122.6 | 62.9 Ų | 62.9 | 54% | 0.538 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 175.1 | -106.7 | -70.5 | 0 | 0 | 0 | 113.7 | D1524 L1526 I1530 E1531 I1532 | D1524-F1528 HydrophobicContact CB-CE2 4.28Å; D1524-F1528 VanDerWaalsContact O-CD2 3.29Å; D1524-F1528 WeakPolarHBondContact O-CD2 3.4Å; D1524-F1528 WeakPolarHBondContact O-CG 3.37Å; D1524-F1528 PolarHBondContact O-N 3.1Å; L1526-F1528 VanDerWaalsContact C-N 3.27Å; L1526-F1528 PolarHBondContact O-N 2.99Å; F1528-I1530 VanDerWaalsContact C-N 3.32Å; F1528-I1530 PolarHBondContact O-N 3.13Å; F1528-E1531 WeakPolarHBondContact O-CB 3.35Å; F1528-E1531 PolarHBondContact O-N 3Å; F1528-I1532 HydrophobicContact CD1-CD1 3.6Å; F1528-I1532 HydrophobicContact CD1-CG1 4.45Å; F1528-I1532 HydrophobicContact CE1-CD1 3.18Å; F1528-I1532 HydrophobicContact CE1-CG1 4.13Å; F1528-I1532 HydrophobicContact CE2-CD1 4.31Å; F1528-I1532 HydrophobicContact CE2-CG1 4.42Å; F1528-I1532 HydrophobicContact CG-CD1 4.34Å; F1528-I1532 HydrophobicContact CZ-CD1 3.58Å; F1528-I1532 HydrophobicContact CZ-CG1 4.1Å; F1528-I1532 WeakPolarHBondContact O-CB 3.35Å; F1528-I1532 WeakPolarHBondContact O-CD1 3.4Å; F1528-I1532 VanDerWaalsContact O-CG1 3.23Å; F1528-I1532 WeakPolarHBondContact O-CG1 3.35Å; F1528-I1532 PolarHBondContact O-N 3.15Å |
| 1529 | E | 92.2 | Very high | 87.2 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 175.9 | -166.8 | 99.2 | -153.9 | 0 | 0 | 111.5 | K1440 P1484 A1487 R1488 W1525 L1526 R1527 I1532 L1533 | K1440-E1529 VanDerWaalsContact NZ-CD 3.28Å; K1440-E1529 IonicContact NZ-OE1 3.39Å; K1440-E1529 PolarHBondContact NZ-OE1 2.99Å; K1440-E1529 VanDerWaalsContact NZ-OE1 3.1Å; K1440-E1529 IonicContact NZ-OE2 2.95Å; K1440-E1529 PolarHBondContact NZ-OE2 3.35Å; K1440-E1529 VanDerWaalsContact NZ-OE2 3.11Å; P1484-E1529 HydrophobicContact CB-CG 4.42Å; A1487-E1529 HydrophobicContact CB-CG 4.02Å; R1488-E1529 IonicContact CZ-OE1 2.9Å; R1488-E1529 IonicContact NE-OE1 2.91Å; R1488-E1529 PolarHBondContact NE-OE1 3.13Å; R1488-E1529 VanDerWaalsContact NE-OE1 3.1Å; R1488-E1529 IonicContact NH2-OE1 3.27Å; R1488-E1529 PolarHBondContact NH2-OE1 3.32Å; W1525-E1529 PolarHBondContact O-N 3.3Å; L1526-E1529 PolarHBondContact O-N 3.27Å; L1526-E1529 VanDerWaalsContact O-N 3.17Å; R1527-E1529 PolarHBondContact O-N 3.34Å; E1529-I1532 PolarHBondContact O-N 3.1Å; E1529-L1533 PolarHBondContact O-N 3.39Å; E1529-L1533 VanDerWaalsContact O-N 3.09Å |
| 1530 | I | 91.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 171.9 | -63.7 | 163.8 | 0 | 0 | 0 | 110.7 | V1483 L1513 L1516 Y1517 L1526 R1527 F1528 I1532 L1533 Y1534 L1541 | V1483-I1530 HydrophobicContact CG1-CD1 4.39Å; V1483-I1530 HydrophobicContact CG1-CG1 4.14Å; L1513-I1530 HydrophobicContact CB-CG1 4.45Å; L1513-I1530 HydrophobicContact CB-CG2 4.28Å; L1513-I1530 HydrophobicContact CD2-CG1 4.45Å; L1516-I1530 HydrophobicContact CD2-CD1 4.41Å; Y1517-I1530 HydrophobicContact CD2-CB 4.43Å; Y1517-I1530 HydrophobicContact CD2-CG2 4.33Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.23Å; L1526-I1530 PolarHBondContact O-N 2.99Å; R1527-I1530 WeakPolarHBondContact O-CB 3.32Å; R1527-I1530 PolarHBondContact O-N 3.07Å; F1528-I1530 VanDerWaalsContact C-N 3.32Å; F1528-I1530 PolarHBondContact O-N 3.13Å; I1530-I1532 VanDerWaalsContact C-N 3.33Å; I1530-I1532 PolarHBondContact O-N 3Å; I1530-L1533 WeakPolarHBondContact O-CB 3.36Å; I1530-L1533 PolarHBondContact O-N 3.2Å; I1530-L1533 VanDerWaalsContact O-N 3.15Å; I1530-Y1534 HydrophobicContact CG2-CD2 3.97Å; I1530-Y1534 HydrophobicContact CG2-CE2 3.98Å; I1530-Y1534 VanDerWaalsContact O-CD2 3.31Å; I1530-Y1534 WeakPolarHBondContact O-CD2 3.33Å; I1530-Y1534 PolarHBondContact O-N 3.23Å; I1530-L1541 HydrophobicContact CG2-CD1 4.23Å; I1530-L1541 HydrophobicContact CG2-CD2 4.2Å |
| 1531 | E | 91.3 | Very high | 87.5 | Confident | 44.4 Ų | 44.4 | 59.7 Ų | 59.7 | 21% | 0.207 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 174 | -79.3 | -173.2 | -148.6 | 0 | 0 | 112.5 | Y1517 R1527 F1528 L1533 Y1534 R1535 L1541 | Y1517-E1531 HydrophobicContact CE2-CG 4.02Å; Y1517-E1531 WeakPolarHBondContact CE2-OE1 3.44Å; Y1517-E1531 PolarHBondContact OH-OE1 3.39Å; R1527-E1531 PolarHBondContact O-N 3.01Å; F1528-E1531 WeakPolarHBondContact O-CB 3.35Å; F1528-E1531 PolarHBondContact O-N 3Å; E1531-L1533 VanDerWaalsContact C-N 3.28Å; E1531-L1533 PolarHBondContact O-N 3.14Å; E1531-Y1534 PolarHBondContact O-N 3.16Å; E1531-R1535 WeakPolarHBondContact O-CB 3.34Å; E1531-R1535 VanDerWaalsContact O-CG 3.28Å; E1531-R1535 WeakPolarHBondContact O-CG 3.29Å; E1531-R1535 PolarHBondContact O-N 3.05Å; E1531-R1535 IonicContact OE2-CZ 2.69Å; E1531-R1535 IonicContact OE2-NE 3.67Å; E1531-R1535 PolarHBondContact OE2-NE 3.28Å; E1531-R1535 VanDerWaalsContact OE2-NE 3.13Å; E1531-R1535 IonicContact OE2-NH2 3.04Å; E1531-R1535 PolarHBondContact OE2-NH2 3.05Å; E1531-L1541 HydrophobicContact CG-CD1 3.77Å; E1531-L1541 HydrophobicContact CG-CD2 4.08Å |
| 1532 | I | 91.8 | Very high | 87.3 | Confident | 73.4 Ų | 73.4 | 61.3 Ų | 61.3 | 38% | 0.376 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.1 | -70.5 | 164.1 | 0 | 0 | 0 | 110.8 | F1528 E1529 I1530 R1535 A1536 | F1528-I1532 HydrophobicContact CD1-CD1 3.6Å; F1528-I1532 HydrophobicContact CD1-CG1 4.45Å; F1528-I1532 HydrophobicContact CE1-CD1 3.18Å; F1528-I1532 HydrophobicContact CE1-CG1 4.13Å; F1528-I1532 HydrophobicContact CE2-CD1 4.31Å; F1528-I1532 HydrophobicContact CE2-CG1 4.42Å; F1528-I1532 HydrophobicContact CG-CD1 4.34Å; F1528-I1532 HydrophobicContact CZ-CD1 3.58Å; F1528-I1532 HydrophobicContact CZ-CG1 4.1Å; F1528-I1532 WeakPolarHBondContact O-CB 3.35Å; F1528-I1532 WeakPolarHBondContact O-CD1 3.4Å; F1528-I1532 VanDerWaalsContact O-CG1 3.23Å; F1528-I1532 WeakPolarHBondContact O-CG1 3.35Å; F1528-I1532 PolarHBondContact O-N 3.15Å; E1529-I1532 PolarHBondContact O-N 3.1Å; I1530-I1532 VanDerWaalsContact C-N 3.33Å; I1530-I1532 PolarHBondContact O-N 3Å; I1532-R1535 PolarHBondContact O-N 3.1Å; I1532-A1536 WeakPolarHBondContact O-CB 3.38Å; I1532-A1536 PolarHBondContact O-N 3.12Å; I1532-A1536 VanDerWaalsContact O-N 3.09Å |
| 1533 | L | 92.5 | Very high | 87 | Confident | 3.6 Ų | 3.6 | 66.2 Ų | 66.2 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 175.3 | -177.8 | 65.4 | 0 | 0 | 0 | 111.7 | A1487 V1490 R1491 L1510 L1513 E1529 I1530 E1531 R1535 A1536 F1537 | A1487-L1533 HydrophobicContact CB-CB 4.47Å; A1487-L1533 HydrophobicContact CB-CD2 4.29Å; A1487-L1533 WeakPolarHBondContact O-CD1 3.38Å; V1490-L1533 HydrophobicContact CB-CD1 4.45Å; V1490-L1533 HydrophobicContact CB-CD2 4.46Å; V1490-L1533 HydrophobicContact CG1-CD1 4.39Å; V1490-L1533 HydrophobicContact CG1-CD2 4.4Å; R1491-L1533 HydrophobicContact CB-CD1 4.11Å; L1510-L1533 HydrophobicContact CD2-CD2 3.89Å; L1510-L1533 HydrophobicContact CD2-CG 4.28Å; L1513-L1533 HydrophobicContact CD1-CD2 3.54Å; L1513-L1533 VanDerWaalsContact CD1-CD2 3.47Å; E1529-L1533 PolarHBondContact O-N 3.39Å; E1529-L1533 VanDerWaalsContact O-N 3.09Å; I1530-L1533 WeakPolarHBondContact O-CB 3.36Å; I1530-L1533 PolarHBondContact O-N 3.2Å; I1530-L1533 VanDerWaalsContact O-N 3.15Å; E1531-L1533 VanDerWaalsContact C-N 3.28Å; E1531-L1533 PolarHBondContact O-N 3.14Å; L1533-R1535 VanDerWaalsContact C-N 3.35Å; L1533-R1535 PolarHBondContact O-N 2.72Å; L1533-A1536 WeakPolarHBondContact O-CB 3.32Å; L1533-A1536 PolarHBondContact O-N 3.16Å; L1533-A1536 VanDerWaalsContact O-N 3.12Å; L1533-F1537 HydrophobicContact CD1-CD2 4.29Å; L1533-F1537 HydrophobicContact CD1-CE2 3.72Å; L1533-F1537 HydrophobicContact CG-CD2 4.31Å; L1533-F1537 HydrophobicContact CG-CE2 4.04Å; L1533-F1537 VanDerWaalsContact O-CD2 3.3Å; L1533-F1537 WeakPolarHBondContact O-CD2 3.36Å; L1533-F1537 PolarHBondContact O-N 3.25Å |
| 1534 | Y | 91.7 | Very high | 86.6 | Confident | 2.6 Ų | 2.6 | 61.6 Ų | 61.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 178.7 | -91.8 | -111.7 | 0 | 0 | 0 | 112.2 | L1510 R1514 I1530 E1531 A1536 F1537 D1538 L1539 L1541 I1544 | L1510-Y1534 HydrophobicContact CB-CE2 4.41Å; L1510-Y1534 HydrophobicContact CD2-CD2 4.27Å; L1510-Y1534 HydrophobicContact CD2-CE2 3.84Å; L1510-Y1534 PolarHBondContact O-OH 3.06Å; L1510-Y1534 VanDerWaalsContact O-OH 3.08Å; R1514-Y1534 WeakPolarHBondContact CB-OH 3.39Å; I1530-Y1534 HydrophobicContact CG2-CD2 3.97Å; I1530-Y1534 HydrophobicContact CG2-CE2 3.98Å; I1530-Y1534 VanDerWaalsContact O-CD2 3.31Å; I1530-Y1534 WeakPolarHBondContact O-CD2 3.33Å; I1530-Y1534 PolarHBondContact O-N 3.23Å; E1531-Y1534 PolarHBondContact O-N 3.16Å; Y1534-A1536 VanDerWaalsContact C-N 3.26Å; Y1534-A1536 PolarHBondContact O-N 3.03Å; Y1534-F1537 CarbonylContact O-C 3.54Å; Y1534-F1537 PolarHBondContact O-N 3.11Å; Y1534-F1537 VanDerWaalsContact O-N 3.08Å; Y1534-D1538 PolarHBondContact O-N 3.17Å; Y1534-L1539 CarbonylContact C-O 3.57Å; Y1534-L1539 HydrophobicContact CD1-CB 4.16Å; Y1534-L1539 PolarHBondContact O-N 3.07Å; Y1534-L1539 VanDerWaalsContact O-N 3.11Å; Y1534-L1541 HydrophobicContact CD1-CB 4.41Å; Y1534-L1541 HydrophobicContact CD1-CD1 3.98Å; Y1534-L1541 HydrophobicContact CD1-CD2 3.66Å; Y1534-L1541 HydrophobicContact CD1-CG 3.95Å; Y1534-L1541 HydrophobicContact CD2-CD1 3.87Å; Y1534-L1541 HydrophobicContact CD2-CD2 3.75Å; Y1534-L1541 HydrophobicContact CE1-CD1 3.92Å; Y1534-L1541 HydrophobicContact CE1-CD2 3.71Å; Y1534-L1541 HydrophobicContact CE1-CG 4.25Å; Y1534-L1541 HydrophobicContact CE2-CD1 3.99Å; Y1534-L1541 HydrophobicContact CE2-CD2 3.83Å; Y1534-L1541 HydrophobicContact CG-CD1 3.92Å; Y1534-L1541 HydrophobicContact CG-CD2 3.66Å; Y1534-L1541 HydrophobicContact CG-CG 4.09Å; Y1534-I1544 HydrophobicContact CD1-CD1 4.22Å; Y1534-I1544 HydrophobicContact CE1-CB 4.28Å; Y1534-I1544 HydrophobicContact CE1-CD1 3.51Å; Y1534-I1544 VanDerWaalsContact CE1-CD1 3.45Å; Y1534-I1544 HydrophobicContact CE1-CG1 4.11Å |
| 1535 | R | 91 | Very high | 86.2 | Confident | 177.2 Ų | 177.2 | 60.7 Ų | 60.7 | 67% | 0.669 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.4 | -34.4 | 173.5 | -70.2 | 173.1 | -170.1 | -109 | 5.3 | 112.1 | E1531 I1532 L1533 F1537 D1538 | E1531-R1535 WeakPolarHBondContact O-CB 3.34Å; E1531-R1535 VanDerWaalsContact O-CG 3.28Å; E1531-R1535 WeakPolarHBondContact O-CG 3.29Å; E1531-R1535 PolarHBondContact O-N 3.05Å; E1531-R1535 IonicContact OE2-CZ 2.69Å; E1531-R1535 IonicContact OE2-NE 3.67Å; E1531-R1535 PolarHBondContact OE2-NE 3.28Å; E1531-R1535 VanDerWaalsContact OE2-NE 3.13Å; E1531-R1535 IonicContact OE2-NH2 3.04Å; E1531-R1535 PolarHBondContact OE2-NH2 3.05Å; I1532-R1535 PolarHBondContact O-N 3.1Å; L1533-R1535 VanDerWaalsContact C-N 3.35Å; L1533-R1535 PolarHBondContact O-N 2.72Å; R1535-F1537 VanDerWaalsContact C-N 3.3Å; R1535-F1537 PolarHBondContact O-N 3.2Å; R1535-D1538 PolarHBondContact O-N 3.29Å; R1535-D1538 VanDerWaalsContact O-N 3.14Å |
| 1536 | A | 88.7 | Confident | 85.7 | Confident | 29.2 Ų | 29.2 | 58.5 Ų | 58.5 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.3 | -20.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1491 T1494 I1532 L1533 Y1534 | R1491-A1536 HydrophobicContact CG-CB 4.49Å; T1494-A1536 HydrophobicContact CG2-CB 4.28Å; T1494-A1536 VanDerWaalsContact CG2-O 3.29Å; T1494-A1536 WeakPolarHBondContact CG2-O 3.36Å; I1532-A1536 WeakPolarHBondContact O-CB 3.38Å; I1532-A1536 PolarHBondContact O-N 3.12Å; I1532-A1536 VanDerWaalsContact O-N 3.09Å; L1533-A1536 WeakPolarHBondContact O-CB 3.32Å; L1533-A1536 PolarHBondContact O-N 3.16Å; L1533-A1536 VanDerWaalsContact O-N 3.12Å; Y1534-A1536 VanDerWaalsContact C-N 3.26Å; Y1534-A1536 PolarHBondContact O-N 3.03Å |
| 1537 | F | 88.4 | Confident | 84.8 | Confident | 7.6 Ų | 7.6 | 59.1 Ų | 59.1 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.1 | 173 | -75.4 | -67.9 | 0 | 0 | 0 | 114 | V1490 A1493 T1494 P1501 T1506 L1510 L1533 Y1534 R1535 L1539 | V1490-F1537 HydrophobicContact CG1-CE2 3.88Å; V1490-F1537 HydrophobicContact CG1-CZ 3.88Å; V1490-F1537 WeakPolarHBondContact O-CZ 3.37Å; A1493-F1537 HydrophobicContact CB-CE1 4.15Å; A1493-F1537 HydrophobicContact CB-CZ 4.08Å; T1494-F1537 HydrophobicContact CG2-CD1 3.65Å; T1494-F1537 HydrophobicContact CG2-CD2 4.46Å; T1494-F1537 HydrophobicContact CG2-CE1 3.56Å; T1494-F1537 HydrophobicContact CG2-CE2 4.4Å; T1494-F1537 HydrophobicContact CG2-CG 4.17Å; T1494-F1537 HydrophobicContact CG2-CZ 4.01Å; P1501-F1537 VanDerWaalsContact CD-CD1 3.43Å; P1501-F1537 VanDerWaalsContact CD-CE1 3.47Å; P1501-F1537 HydrophobicContact CG-CB 4.36Å; P1501-F1537 HydrophobicContact CG-CD1 3.7Å; P1501-F1537 HydrophobicContact CG-CE1 4.08Å; P1501-F1537 HydrophobicContact CG-CG 4.11Å; T1506-F1537 HydrophobicContact CG2-CE1 4.43Å; T1506-F1537 HydrophobicContact CG2-CZ 4.06Å; L1510-F1537 HydrophobicContact CD1-CD2 4.36Å; L1510-F1537 HydrophobicContact CD1-CE2 4.39Å; L1510-F1537 HydrophobicContact CD2-CD2 4.28Å; L1510-F1537 HydrophobicContact CD2-CE2 4.19Å; L1533-F1537 HydrophobicContact CD1-CD2 4.29Å; L1533-F1537 HydrophobicContact CD1-CE2 3.72Å; L1533-F1537 HydrophobicContact CG-CD2 4.31Å; L1533-F1537 HydrophobicContact CG-CE2 4.04Å; L1533-F1537 VanDerWaalsContact O-CD2 3.3Å; L1533-F1537 WeakPolarHBondContact O-CD2 3.36Å; L1533-F1537 PolarHBondContact O-N 3.25Å; Y1534-F1537 CarbonylContact O-C 3.54Å; Y1534-F1537 PolarHBondContact O-N 3.11Å; Y1534-F1537 VanDerWaalsContact O-N 3.08Å; R1535-F1537 VanDerWaalsContact C-N 3.3Å; R1535-F1537 PolarHBondContact O-N 3.2Å; F1537-L1539 VanDerWaalsContact C-N 3.29Å; F1537-L1539 HydrophobicContact CB-CB 4.4Å; F1537-L1539 HydrophobicContact CB-CD1 3.74Å; F1537-L1539 HydrophobicContact CB-CG 3.84Å; F1537-L1539 HydrophobicContact CG-CD1 4.45Å; F1537-L1539 PolarHBondContact O-N 2.98Å |
| 1538 | D | 86.5 | Confident | 83.9 | Confident | 129.2 Ų | 129.2 | 62.1 Ų | 62.1 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 33.2 | -170.8 | -49.4 | -59.5 | 0 | 0 | 0 | 112.9 | R1500 Y1534 R1535 | R1500-D1538 IonicContact CZ-OD2 3.39Å; R1500-D1538 IonicContact NH2-OD2 3.18Å; R1500-D1538 PolarHBondContact NH2-OD2 3.08Å; Y1534-D1538 PolarHBondContact O-N 3.17Å; R1535-D1538 PolarHBondContact O-N 3.29Å; R1535-D1538 VanDerWaalsContact O-N 3.14Å |
| 1539 | L | 86.8 | Confident | 82.9 | Confident | 47.4 Ų | 47.4 | 59.1 Ų | 59.1 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | trans | -110.5 | 139.8 | -178.4 | -64 | 174.3 | 0 | 0 | 0 | 111.7 | P1501 M1507 L1510 Y1534 F1537 I1544 | P1501-L1539 HydrophobicContact CB-CD1 4.11Å; P1501-L1539 HydrophobicContact CG-CD1 3.86Å; M1507-L1539 HydrophobicContact CE-CD1 4.2Å; L1510-L1539 HydrophobicContact CD1-CD1 4.07Å; Y1534-L1539 CarbonylContact C-O 3.57Å; Y1534-L1539 HydrophobicContact CD1-CB 4.16Å; Y1534-L1539 PolarHBondContact O-N 3.07Å; Y1534-L1539 VanDerWaalsContact O-N 3.11Å; F1537-L1539 VanDerWaalsContact C-N 3.29Å; F1537-L1539 HydrophobicContact CB-CB 4.4Å; F1537-L1539 HydrophobicContact CB-CD1 3.74Å; F1537-L1539 HydrophobicContact CB-CG 3.84Å; F1537-L1539 HydrophobicContact CG-CD1 4.45Å; F1537-L1539 PolarHBondContact O-N 2.98Å; L1539-I1544 HydrophobicContact CB-CD1 4.41Å; L1539-I1544 HydrophobicContact CD1-CD1 3.9Å | ||
| 1540 | N | 83.2 | Confident | 81.7 | Confident | 103.6 Ų | 103.6 | 58.2 Ų | 58.2 | 55% | 0.554 | 31% | 0.306 | S | S | * | . | trans | -84.3 | 141.6 | 168.7 | -52.3 | -61.1 | 0 | 0 | 0 | 110.1 | N1542 D1543 | N1540-N1542 PolarHBondContact O-N 3.18Å; N1540-D1543 VanDerWaalsContact CB-OD2 3.32Å; N1540-D1543 WeakPolarHBondContact CB-OD2 3.35Å; N1540-D1543 PolarHBondContact ND2-OD2 3.34Å; N1540-D1543 PolarHBondContact O-N 3.1Å | ||
| 1541 | L | 79.1 | Confident | 80.3 | Confident | 24.8 Ų | 24.8 | 65.5 Ų | 65.5 | 13% | 0.13 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -56.9 | -38.4 | 176.5 | -92 | 135 | 0 | 0 | 0 | 111.9 | R1514 Y1517 I1530 E1531 Y1534 D1543 I1544 | R1514-L1541 PolarHBondContact NE-O 2.84Å; R1514-L1541 PolarHBondContact NH1-O 3.07Å; Y1517-L1541 HydrophobicContact CD1-CD2 3.82Å; Y1517-L1541 HydrophobicContact CD2-CD1 4.28Å; Y1517-L1541 HydrophobicContact CD2-CD2 4.02Å; Y1517-L1541 HydrophobicContact CE1-CD1 4.24Å; Y1517-L1541 HydrophobicContact CE1-CD2 3.69Å; Y1517-L1541 VanDerWaalsContact CE1-CD2 3.43Å; Y1517-L1541 HydrophobicContact CE2-CD1 3.75Å; Y1517-L1541 HydrophobicContact CE2-CD2 3.65Å; Y1517-L1541 HydrophobicContact CG-CD2 3.9Å; Y1517-L1541 VanDerWaalsContact CZ-CD2 3.49Å; I1530-L1541 HydrophobicContact CG2-CD1 4.23Å; I1530-L1541 HydrophobicContact CG2-CD2 4.2Å; E1531-L1541 HydrophobicContact CG-CD1 3.77Å; E1531-L1541 HydrophobicContact CG-CD2 4.08Å; Y1534-L1541 HydrophobicContact CD1-CB 4.41Å; Y1534-L1541 HydrophobicContact CD1-CD1 3.98Å; Y1534-L1541 HydrophobicContact CD1-CD2 3.66Å; Y1534-L1541 HydrophobicContact CD1-CG 3.95Å; Y1534-L1541 HydrophobicContact CD2-CD1 3.87Å; Y1534-L1541 HydrophobicContact CD2-CD2 3.75Å; Y1534-L1541 HydrophobicContact CE1-CD1 3.92Å; Y1534-L1541 HydrophobicContact CE1-CD2 3.71Å; Y1534-L1541 HydrophobicContact CE1-CG 4.25Å; Y1534-L1541 HydrophobicContact CE2-CD1 3.99Å; Y1534-L1541 HydrophobicContact CE2-CD2 3.83Å; Y1534-L1541 HydrophobicContact CG-CD1 3.92Å; Y1534-L1541 HydrophobicContact CG-CD2 3.66Å; Y1534-L1541 HydrophobicContact CG-CG 4.09Å; L1541-D1543 VanDerWaalsContact C-N 3.34Å; L1541-D1543 PolarHBondContact O-N 3.26Å; L1541-I1544 PolarHBondContact O-N 3.1Å |
| 1542 | N | 73.9 | Confident | 78.8 | Confident | 135.4 Ų | 135.4 | 66.7 Ų | 66.7 | 72% | 0.724 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -72.4 | -18.9 | -174.3 | -63.6 | -22.8 | 0 | 0 | 0 | 114.2 | R1514 N1540 I1544 | R1514-N1542 PolarHBondContact NH1-OD1 3.18Å; R1514-N1542 PolarHBondContact NH2-OD1 3.29Å; N1540-N1542 PolarHBondContact O-N 3.18Å; N1542-I1544 VanDerWaalsContact C-N 3.3Å; N1542-I1544 PolarHBondContact O-N 3.02Å |
| 1543 | D | 75.1 | Confident | 77.2 | Confident | 114 Ų | 114 | 68.7 Ų | 68.7 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -82.6 | -13.1 | -177.4 | -60.1 | -22.1 | 0 | 0 | 0 | 112 | N1540 L1541 | N1540-D1543 VanDerWaalsContact CB-OD2 3.32Å; N1540-D1543 WeakPolarHBondContact CB-OD2 3.35Å; N1540-D1543 PolarHBondContact ND2-OD2 3.34Å; N1540-D1543 PolarHBondContact O-N 3.1Å; L1541-D1543 VanDerWaalsContact C-N 3.34Å; L1541-D1543 PolarHBondContact O-N 3.26Å |
| 1544 | I | 77.5 | Confident | 75.3 | Confident | 12.6 Ų | 12.6 | 72.8 Ų | 72.8 | 7% | 0.065 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -108.2 | 121.8 | -177.8 | -57.3 | -172.7 | 0 | 0 | 0 | 109.9 | M1507 L1510 K1511 Y1534 L1539 L1541 N1542 | M1507-I1544 HydrophobicContact CE-CD1 4.11Å; M1507-I1544 HydrophobicContact CE-CG1 4.44Å; M1507-I1544 HydrophobicContact CE-CG2 4.18Å; M1507-I1544 HydrophobicContact SD-CD1 4.22Å; L1510-I1544 HydrophobicContact CB-CD1 4.43Å; L1510-I1544 HydrophobicContact CD1-CD1 4.39Å; K1511-I1544 HydrophobicContact CG-CG2 3.74Å; Y1534-I1544 HydrophobicContact CD1-CD1 4.22Å; Y1534-I1544 HydrophobicContact CE1-CB 4.28Å; Y1534-I1544 HydrophobicContact CE1-CD1 3.51Å; Y1534-I1544 VanDerWaalsContact CE1-CD1 3.45Å; Y1534-I1544 HydrophobicContact CE1-CG1 4.11Å; L1539-I1544 HydrophobicContact CB-CD1 4.41Å; L1539-I1544 HydrophobicContact CD1-CD1 3.9Å; L1541-I1544 PolarHBondContact O-N 3.1Å; N1542-I1544 VanDerWaalsContact C-N 3.3Å; N1542-I1544 PolarHBondContact O-N 3.02Å |
| 1545 | P | 76.6 | Confident | 73.5 | Confident | 84.8 Ų | 84.8 | 75.4 Ų | 75.4 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 140.5 | 174.9 | 28.6 | -33.8 | 0 | 0 | 0 | 110.9 | K1511 | K1511-P1545 VanDerWaalsContact CG-O 3.29Å; K1511-P1545 WeakPolarHBondContact CG-O 3.37Å |
| 1546 | S | 73.7 | Confident | 71.6 | Confident | 41.6 Ų | 41.6 | 69.5 Ų | 69.5 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 148.6 | 174.3 | 49 | 0 | 0 | 0 | 0 | 111.7 | E1515 D1518 | E1515-S1546 VanDerWaalsContact CA-OG 3.3Å; E1515-S1546 WeakPolarHBondContact CA-OG 3.24Å; E1515-S1546 WeakPolarHBondContact CB-OG 3.43Å; E1515-S1546 WeakPolarHBondContact CG-OG 3.35Å; D1518-S1546 WeakPolarHBondContact OD2-CB 3.38Å; D1518-S1546 PolarHBondContact OD2-OG 3.25Å |
| 1547 | A | 69.9 | Low | 69.7 | Low | 17.8 Ų | 17.8 | 73 Ų | 73 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 160.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1511 V1512 E1515 F1549 | K1511-A1547 HydrophobicContact CB-CB 4.06Å; K1511-A1547 WeakPolarHBondContact O-CB 3.44Å; K1511-A1547 PolarHBondContact O-N 3.18Å; V1512-A1547 HydrophobicContact CG2-CB 4.07Å; E1515-A1547 HydrophobicContact CB-CB 4.08Å; E1515-A1547 VanDerWaalsContact CB-O 3.26Å; E1515-A1547 WeakPolarHBondContact CB-O 3.42Å; E1515-A1547 VanDerWaalsContact CG-O 3.29Å; E1515-A1547 WeakPolarHBondContact CG-O 3.4Å; E1515-A1547 VanDerWaalsContact OE2-C 3.27Å; E1515-A1547 WeakPolarHBondContact OE2-CB 3.21Å; E1515-A1547 VanDerWaalsContact OE2-O 3.06Å; A1547-F1549 VanDerWaalsContact C-N 3.32Å; A1547-F1549 HydrophobicContact CB-CB 3.88Å; A1547-F1549 HydrophobicContact CB-CD2 3.99Å; A1547-F1549 PolarHBondContact O-N 3.26Å |
| 1548 | N | 69.4 | Low | 67.8 | Low | 108.4 Ų | 108.4 | 77.6 Ų | 77.6 | 58% | 0.58 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -111.9 | 37.7 | 172.5 | -72.6 | -47.9 | 0 | 0 | 0 | 110.1 | E1515 R1551 | E1515-N1548 VanDerWaalsContact OE1-CA 3.28Å; E1515-N1548 WeakPolarHBondContact OE1-CA 3.44Å; E1515-N1548 PolarHBondContact OE2-N 2.97Å; N1548-R1551 PolarHBondContact OD1-NH1 3.28Å; N1548-R1551 VanDerWaalsContact OD1-NH1 3.15Å |
| 1549 | F | 69.8 | Low | 66.1 | Low | 60.6 Ų | 60.6 | 73.3 Ų | 73.3 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -96.9 | -36.7 | -172.9 | -142.1 | -90.7 | 0 | 0 | 0 | 112.3 | K1465 Y1469 V1512 E1515 A1547 R1551 D1552 H1555 | K1465-F1549 HydrophobicContact CB-CE1 4.06Å; K1465-F1549 HydrophobicContact CB-CZ 4.11Å; K1465-F1549 HydrophobicContact CD-CD1 4.43Å; K1465-F1549 HydrophobicContact CD-CE1 4.03Å; K1465-F1549 HydrophobicContact CD-CE2 4.23Å; K1465-F1549 HydrophobicContact CD-CZ 3.85Å; K1465-F1549 HydrophobicContact CG-CD1 4.31Å; K1465-F1549 HydrophobicContact CG-CE1 3.7Å; K1465-F1549 HydrophobicContact CG-CZ 3.94Å; Y1469-F1549 HydrophobicContact CD2-CD1 4.4Å; Y1469-F1549 HydrophobicContact CD2-CE1 4.14Å; Y1469-F1549 HydrophobicContact CD2-CZ 4.46Å; Y1469-F1549 HydrophobicContact CE1-CB 4.15Å; Y1469-F1549 HydrophobicContact CE2-CB 4.45Å; Y1469-F1549 WeakPolarHBondContact CE2-O 3.47Å; Y1469-F1549 HydrophobicContact CG-CE1 4.42Å; Y1469-F1549 VanDerWaalsContact OH-CB 3.24Å; Y1469-F1549 WeakPolarHBondContact OH-CB 3.38Å; Y1469-F1549 VanDerWaalsContact OH-CD2 3.31Å; Y1469-F1549 WeakPolarHBondContact OH-CD2 3.19Å; Y1469-F1549 WeakPolarHBondContact OH-CG 3.49Å; V1512-F1549 HydrophobicContact CB-CD1 4.45Å; V1512-F1549 HydrophobicContact CG1-CD1 4.01Å; V1512-F1549 HydrophobicContact CG2-CB 3.96Å; V1512-F1549 HydrophobicContact CG2-CD1 3.58Å; V1512-F1549 HydrophobicContact CG2-CE1 4.34Å; V1512-F1549 HydrophobicContact CG2-CG 3.96Å; E1515-F1549 VanDerWaalsContact CD-N 3.33Å; E1515-F1549 PolarHBondContact OE1-N 3.2Å; E1515-F1549 WeakPolarHBondContact OE2-CA 3.44Å; E1515-F1549 PolarHBondContact OE2-N 3.16Å; A1547-F1549 VanDerWaalsContact C-N 3.32Å; A1547-F1549 HydrophobicContact CB-CB 3.88Å; A1547-F1549 HydrophobicContact CB-CD2 3.99Å; A1547-F1549 PolarHBondContact O-N 3.26Å; F1549-R1551 VanDerWaalsContact C-N 3.3Å; F1549-R1551 PolarHBondContact O-N 3.31Å; F1549-D1552 PolarHBondContact O-N 2.98Å; F1549-H1555 AromaticContact CD1-CD2 3.95Å; F1549-H1555 AromaticContact CD1-NE2 3.92Å; F1549-H1555 AromaticContact CD2-CD2 3.24Å; F1549-H1555 WeakPolarHBondContact CD2-CD2 3.27Å; F1549-H1555 AromaticContact CD2-NE2 3.25Å; F1549-H1555 VanDerWaalsContact CD2-NE2 3.25Å; F1549-H1555 WeakPolarHBondContact CD2-NE2 3.37Å; F1549-H1555 AromaticContact CE2-CD2 3.52Å; F1549-H1555 WeakPolarHBondContact CE2-CD2 3.41Å; F1549-H1555 AromaticContact CE2-CE1 3.72Å; F1549-H1555 AromaticContact CE2-CG 3.81Å; F1549-H1555 AromaticContact CE2-ND1 3.84Å; F1549-H1555 AromaticContact CE2-NE2 3.54Å; F1549-H1555 WeakPolarHBondContact CE2-NE2 3.35Å; F1549-H1555 AromaticContact CG-CD2 3.99Å; F1549-H1555 AromaticContact CZ-CD2 3.46Å; F1549-H1555 VanDerWaalsContact CZ-CD2 3.46Å; F1549-H1555 WeakPolarHBondContact CZ-CD2 3.19Å; F1549-H1555 AromaticContact CZ-CE1 3.96Å; F1549-H1555 AromaticContact CZ-NE2 3.36Å; F1549-H1555 VanDerWaalsContact CZ-NE2 3.34Å; F1549-H1555 WeakPolarHBondContact CZ-NE2 3.28Å; F1549-H1555 PolarHBondContact O-CD2 3.15Å |
| 1550 | L | 66.6 | Low | 64.3 | Low | 3.6 Ų | 3.6 | 78.4 Ų | 78.4 | 2% | 0.019 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23.8 | 175.7 | -65.4 | 174.5 | 0 | 0 | 0 | 112.3 | I1468 Y1469 Y1472 Y1473 V1512 E1515 L1516 M1519 D1552 | I1468-L1550 HydrophobicContact CG2-CD2 4.32Å; Y1469-L1550 HydrophobicContact CD1-CD2 3.43Å; Y1469-L1550 HydrophobicContact CD1-CG 3.9Å; Y1469-L1550 HydrophobicContact CD2-CD2 4.22Å; Y1469-L1550 HydrophobicContact CE1-CD2 4.06Å; Y1469-L1550 HydrophobicContact CE1-CG 4Å; Y1469-L1550 HydrophobicContact CG-CD2 4.31Å; Y1472-L1550 HydrophobicContact CD1-CB 4.41Å; Y1472-L1550 HydrophobicContact CD1-CD2 3.65Å; Y1472-L1550 HydrophobicContact CE1-CD2 4.4Å; Y1472-L1550 HydrophobicContact CG-CD2 3.93Å; Y1473-L1550 VanDerWaalsContact CE2-O 3.3Å; Y1473-L1550 WeakPolarHBondContact CE2-O 3.38Å; Y1473-L1550 PolarHBondContact OH-O 3.23Å; V1512-L1550 HydrophobicContact CG1-CD1 4.31Å; V1512-L1550 HydrophobicContact CG1-CD2 4.01Å; V1512-L1550 HydrophobicContact CG1-CG 4.07Å; E1515-L1550 HydrophobicContact CB-CD1 4.41Å; E1515-L1550 VanDerWaalsContact CD-N 3.28Å; E1515-L1550 HydrophobicContact CG-CB 4.26Å; E1515-L1550 HydrophobicContact CG-CD1 4.27Å; E1515-L1550 HydrophobicContact CG-CG 4.47Å; E1515-L1550 WeakPolarHBondContact OE1-CA 3.24Å; E1515-L1550 WeakPolarHBondContact OE1-CB 3.28Å; E1515-L1550 PolarHBondContact OE1-N 3.29Å; E1515-L1550 PolarHBondContact OE2-N 3.12Å; E1515-L1550 VanDerWaalsContact OE2-N 3.12Å; L1516-L1550 HydrophobicContact CB-CD1 3.96Å; L1516-L1550 HydrophobicContact CD1-CD1 3.96Å; L1516-L1550 HydrophobicContact CG-CD1 4.38Å; M1519-L1550 HydrophobicContact CE-CB 4.25Å; M1519-L1550 HydrophobicContact SD-CB 4.25Å; M1519-L1550 HydrophobicContact SD-CD1 3.91Å; M1519-L1550 HydrophobicContact SD-CG 4.5Å; L1550-D1552 VanDerWaalsContact C-N 3.33Å |
| 1551 | R | 62.6 | Low | 62.6 | Low | 154.6 Ų | 154.6 | 76.9 Ų | 76.9 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.6 | 176.6 | -68.2 | 173.6 | 179.1 | 175.5 | -0.3 | 114 | E1515 N1548 F1549 L1553 | E1515-R1551 WeakPolarHBondContact OE1-CG 3.27Å; E1515-R1551 PolarHBondContact OE1-N 3.14Å; E1515-R1551 VanDerWaalsContact OE1-N 3.13Å; N1548-R1551 PolarHBondContact OD1-NH1 3.28Å; N1548-R1551 VanDerWaalsContact OD1-NH1 3.15Å; F1549-R1551 VanDerWaalsContact C-N 3.3Å; F1549-R1551 PolarHBondContact O-N 3.31Å; R1551-L1553 WeakPolarHBondContact O-CD1 3.34Å; R1551-L1553 PolarHBondContact O-N 3.26Å |
| 1552 | D | 60.4 | Low | 61.3 | Low | 68.2 Ų | 68.2 | 80.7 Ų | 80.7 | 37% | 0.365 | 44% | 0.436 | S | S | . | . | trans | -90.6 | 102.2 | -178.4 | -167.1 | -16.3 | 0 | 0 | 0 | 111.1 | Y1469 Y1473 F1549 L1550 T1554 H1555 | Y1469-D1552 VanDerWaalsContact CE2-O 3.27Å; Y1469-D1552 WeakPolarHBondContact CE2-O 3.29Å; Y1469-D1552 PolarHBondContact OH-O 3.05Å; Y1469-D1552 VanDerWaalsContact OH-O 3.14Å; Y1473-D1552 PolarHBondContact OH-O 3.11Å; F1549-D1552 PolarHBondContact O-N 2.98Å; L1550-D1552 VanDerWaalsContact C-N 3.33Å; D1552-T1554 VanDerWaalsContact C-N 3.28Å; D1552-T1554 VanDerWaalsContact CG-OG1 3.27Å; D1552-T1554 PolarHBondContact O-N 3.12Å; D1552-T1554 VanDerWaalsContact O-N 3.15Å; D1552-T1554 VanDerWaalsContact OD1-CB 3.27Å; D1552-T1554 WeakPolarHBondContact OD1-CB 3.35Å; D1552-T1554 VanDerWaalsContact OD1-CG2 3.32Å; D1552-T1554 WeakPolarHBondContact OD1-CG2 3.39Å; D1552-T1554 PolarHBondContact OD1-N 3.05Å; D1552-T1554 VanDerWaalsContact OD1-N 3.15Å; D1552-T1554 PolarHBondContact OD1-OG1 3.09Å; D1552-T1554 PolarHBondContact OD2-OG1 3.29Å; D1552-H1555 PolarHBondContact O-N 3.32Å; D1552-H1555 IonicContact OD2-NE2 3.69Å | ||
| 1553 | L | 57.1 | Low | 60.3 | Low | 116.2 Ų | 116.2 | 74.8 Ų | 74.8 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -64.7 | -20 | 179.9 | -134.5 | 71.3 | 0 | 0 | 0 | 112.9 | Y1469 Y1473 R1551 H1555 S1556 G1815 | Y1469-L1553 WeakPolarHBondContact OH-CA 3.47Å; Y1473-L1553 HydrophobicContact CE1-CD1 4Å; Y1473-L1553 HydrophobicContact CE1-CG 4.33Å; Y1473-L1553 WeakPolarHBondContact OH-CD1 3.4Å; R1551-L1553 WeakPolarHBondContact O-CD1 3.34Å; R1551-L1553 PolarHBondContact O-N 3.26Å; L1553-H1555 PolarHBondContact O-N 3.05Å; L1553-S1556 WeakPolarHBondContact O-CB 3.29Å; L1553-S1556 PolarHBondContact O-N 3.29Å; L1553-S1556 VanDerWaalsContact O-N 3.11Å; L1553-S1556 PolarHBondContact O-OG 3.02Å; L1553-S1556 VanDerWaalsContact O-OG 3.11Å; L1553-G1815 VanDerWaalsContact CD2-O 3.28Å; L1553-G1815 WeakPolarHBondContact CD2-O 3.47Å |
| 1554 | T | 52.7 | Low | 59 | Low | 90.4 Ų | 90.4 | 69.6 Ų | 69.6 | 56% | 0.555 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -67.2 | -22 | -179.3 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | D1552 S1556 S1557 | D1552-T1554 VanDerWaalsContact C-N 3.28Å; D1552-T1554 VanDerWaalsContact CG-OG1 3.27Å; D1552-T1554 PolarHBondContact O-N 3.12Å; D1552-T1554 VanDerWaalsContact O-N 3.15Å; D1552-T1554 VanDerWaalsContact OD1-CB 3.27Å; D1552-T1554 WeakPolarHBondContact OD1-CB 3.35Å; D1552-T1554 VanDerWaalsContact OD1-CG2 3.32Å; D1552-T1554 WeakPolarHBondContact OD1-CG2 3.39Å; D1552-T1554 PolarHBondContact OD1-N 3.05Å; D1552-T1554 VanDerWaalsContact OD1-N 3.15Å; D1552-T1554 PolarHBondContact OD1-OG1 3.09Å; D1552-T1554 PolarHBondContact OD2-OG1 3.29Å; T1554-S1556 VanDerWaalsContact C-N 3.3Å; T1554-S1556 PolarHBondContact O-N 3.34Å; T1554-S1557 PolarHBondContact O-N 3.33Å; T1554-S1557 PolarHBondContact O-OG 3.27Å |
| 1555 | H | 53.8 | Low | 57.4 | Low | 55.6 Ų | 55.6 | 74 Ų | 74 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -73 | -18.5 | 178.2 | -100 | 5 | 0 | 0 | 0 | 113.5 | D1466 Y1469 F1549 D1552 L1553 S1557 N1558 | D1466-H1555 IonicContact OD1-CD2 3.12Å; D1466-H1555 IonicContact OD1-CE1 3.83Å; D1466-H1555 IonicContact OD1-NE2 3.26Å; D1466-H1555 PolarHBondContact OD1-NE2 3.22Å; D1466-H1555 IonicContact OD2-NE2 3.86Å; Y1469-H1555 HydrophobicContact CD2-CB 4.32Å; Y1469-H1555 AromaticContact CD2-CD2 3.93Å; Y1469-H1555 HydrophobicContact CE2-CB 3.76Å; Y1469-H1555 AromaticContact CG-CD2 4Å; F1549-H1555 AromaticContact CD1-CD2 3.95Å; F1549-H1555 AromaticContact CD1-NE2 3.92Å; F1549-H1555 AromaticContact CD2-CD2 3.24Å; F1549-H1555 WeakPolarHBondContact CD2-CD2 3.27Å; F1549-H1555 AromaticContact CD2-NE2 3.25Å; F1549-H1555 VanDerWaalsContact CD2-NE2 3.25Å; F1549-H1555 WeakPolarHBondContact CD2-NE2 3.37Å; F1549-H1555 AromaticContact CE2-CD2 3.52Å; F1549-H1555 WeakPolarHBondContact CE2-CD2 3.41Å; F1549-H1555 AromaticContact CE2-CE1 3.72Å; F1549-H1555 AromaticContact CE2-CG 3.81Å; F1549-H1555 AromaticContact CE2-ND1 3.84Å; F1549-H1555 AromaticContact CE2-NE2 3.54Å; F1549-H1555 WeakPolarHBondContact CE2-NE2 3.35Å; F1549-H1555 AromaticContact CG-CD2 3.99Å; F1549-H1555 AromaticContact CZ-CD2 3.46Å; F1549-H1555 VanDerWaalsContact CZ-CD2 3.46Å; F1549-H1555 WeakPolarHBondContact CZ-CD2 3.19Å; F1549-H1555 AromaticContact CZ-CE1 3.96Å; F1549-H1555 AromaticContact CZ-NE2 3.36Å; F1549-H1555 VanDerWaalsContact CZ-NE2 3.34Å; F1549-H1555 WeakPolarHBondContact CZ-NE2 3.28Å; F1549-H1555 PolarHBondContact O-CD2 3.15Å; D1552-H1555 PolarHBondContact O-N 3.32Å; D1552-H1555 IonicContact OD2-NE2 3.69Å; L1553-H1555 PolarHBondContact O-N 3.05Å; H1555-S1557 VanDerWaalsContact C-N 3.26Å; H1555-S1557 PolarHBondContact O-N 3.13Å; H1555-S1557 VanDerWaalsContact O-N 3.12Å; H1555-N1558 PolarHBondContact O-N 3.24Å; H1555-N1558 VanDerWaalsContact O-N 3.13Å |
| 1556 | S | 52.6 | Low | 55.4 | Low | 54.2 Ų | 54.2 | 73.5 Ų | 73.5 | 38% | 0.379 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -59.3 | -29.1 | 178.1 | -15.5 | 0 | 0 | 0 | 0 | 113.5 | Y1469 Y1473 L1553 T1554 N1558 | Y1469-S1556 WeakPolarHBondContact CE1-OG 3.34Å; Y1469-S1556 WeakPolarHBondContact OH-CB 3.28Å; Y1469-S1556 PolarHBondContact OH-N 3.07Å; Y1469-S1556 VanDerWaalsContact OH-N 3.09Å; Y1469-S1556 PolarHBondContact OH-OG 3.47Å; Y1473-S1556 VanDerWaalsContact CE1-OG 3.26Å; Y1473-S1556 WeakPolarHBondContact CE1-OG 3.29Å; Y1473-S1556 WeakPolarHBondContact CE2-OG 3.41Å; L1553-S1556 WeakPolarHBondContact O-CB 3.29Å; L1553-S1556 PolarHBondContact O-N 3.29Å; L1553-S1556 VanDerWaalsContact O-N 3.11Å; L1553-S1556 PolarHBondContact O-OG 3.02Å; L1553-S1556 VanDerWaalsContact O-OG 3.11Å; T1554-S1556 VanDerWaalsContact C-N 3.3Å; T1554-S1556 PolarHBondContact O-N 3.34Å; S1556-N1558 VanDerWaalsContact C-N 3.32Å |
| 1557 | S | 47.7 | Very low | 53.1 | Low | 101.4 Ų | 101.4 | 74.6 Ų | 74.6 | 71% | 0.709 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -81.6 | -10.5 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | T1554 H1555 | T1554-S1557 PolarHBondContact O-N 3.33Å; T1554-S1557 PolarHBondContact O-OG 3.27Å; H1555-S1557 VanDerWaalsContact C-N 3.26Å; H1555-S1557 PolarHBondContact O-N 3.13Å; H1555-S1557 VanDerWaalsContact O-N 3.12Å |
| 1558 | N | 48.1 | Very low | 50.9 | Low | 106 Ų | 106 | 79.2 Ų | 79.2 | 57% | 0.567 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -103.8 | 7 | -177.3 | -70.1 | -41.9 | 0 | 0 | 0 | 113.1 | H1555 S1556 D1560 | H1555-N1558 PolarHBondContact O-N 3.24Å; H1555-N1558 VanDerWaalsContact O-N 3.13Å; S1556-N1558 VanDerWaalsContact C-N 3.32Å; N1558-D1560 PolarHBondContact O-N 3.24Å; N1558-D1560 VanDerWaalsContact O-N 3.09Å |
| 1559 | L | 51.9 | Low | 48.8 | Very low | 38.4 Ų | 38.4 | 79.1 Ų | 79.1 | 20% | 0.201 | 43% | 0.432 | C | S | . | . | trans | -79 | 97.7 | 177.8 | -64.1 | 174.8 | 0 | 0 | 0 | 109.5 | D1466 Y1469 E1470 Y1473 I1561 | D1466-L1559 HydrophobicContact CB-CD2 3.8Å; Y1469-L1559 HydrophobicContact CD1-CD1 3.98Å; Y1469-L1559 HydrophobicContact CD1-CD2 4.3Å; Y1469-L1559 HydrophobicContact CD1-CG 4.46Å; Y1469-L1559 HydrophobicContact CD2-CD2 4.2Å; Y1469-L1559 HydrophobicContact CE1-CD1 4.15Å; E1470-L1559 HydrophobicContact CB-CD1 4.16Å; E1470-L1559 HydrophobicContact CG-CD1 4.29Å; Y1473-L1559 HydrophobicContact CD2-CD1 4.23Å; Y1473-L1559 HydrophobicContact CE2-CD1 4.44Å; L1559-I1561 PolarHBondContact O-N 3.23Å | ||
| 1560 | D | 47.6 | Very low | 46.6 | Very low | 153.2 Ų | 153.2 | 82.1 Ų | 82.1 | 82% | 0.819 | 46% | 0.456 | S | S | * | . | trans | -63.6 | -9.7 | -178.6 | -76.9 | -29.1 | 0 | 0 | 0 | 114 | N1558 | N1558-D1560 PolarHBondContact O-N 3.24Å; N1558-D1560 VanDerWaalsContact O-N 3.09Å | ||
| 1561 | I | 49 | Very low | 44.5 | Very low | 73 Ų | 73 | 85.4 Ų | 85.4 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | trans | -137.1 | 116.1 | -178.4 | -63 | 172.3 | 0 | 0 | 0 | 109.8 | R1424 N1463 D1466 E1470 L1559 L1563 | R1424-I1561 VanDerWaalsContact NH2-CG2 3.31Å; N1463-I1561 HydrophobicContact CB-CD1 3.61Å; D1466-I1561 HydrophobicContact CB-CD1 3.76Å; D1466-I1561 HydrophobicContact CB-CG1 4.28Å; E1470-I1561 VanDerWaalsContact OE1-O 3.1Å; E1470-I1561 VanDerWaalsContact OE2-O 3.13Å; L1559-I1561 PolarHBondContact O-N 3.23Å; I1561-L1563 HydrophobicContact CG2-CB 3.9Å; I1561-L1563 HydrophobicContact CG2-CD1 3.6Å; I1561-L1563 HydrophobicContact CG2-CD2 4.32Å; I1561-L1563 HydrophobicContact CG2-CG 3.92Å; I1561-L1563 VanDerWaalsContact CG2-CG 3.48Å; I1561-L1563 PolarHBondContact O-N 2.77Å | ||
| 1562 | E | 52.2 | Low | 42.6 | Very low | 103.8 Ų | 103.8 | 84.1 Ų | 84.1 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | trans | -83.9 | 95.9 | 168.2 | -60.7 | -171.1 | 146.6 | 0 | 0 | 110.3 | R1424 E1470 K1474 C1564 F1565 | R1424-E1562 PolarHBondContact NE-O 3.13Å; R1424-E1562 PolarHBondContact NH2-O 3.3Å; E1470-E1562 VanDerWaalsContact OE1-CA 3.24Å; E1470-E1562 WeakPolarHBondContact OE1-CA 3.32Å; E1470-E1562 VanDerWaalsContact OE1-CB 3.32Å; E1470-E1562 WeakPolarHBondContact OE1-CB 3.42Å; K1474-E1562 IonicContact NZ-OE1 3.63Å; K1474-E1562 PolarHBondContact NZ-OE1 3.38Å; K1474-E1562 IonicContact NZ-OE2 3.56Å; K1474-E1562 PolarHBondContact NZ-OE2 3.04Å; E1562-C1564 VanDerWaalsContact C-N 3.28Å; E1562-F1565 HydrophobicContact CB-CD2 4.26Å; E1562-F1565 HydrophobicContact CB-CE2 3.88Å; E1562-F1565 HydrophobicContact CB-CZ 4.06Å; E1562-F1565 HydrophobicContact CG-CE2 4.43Å; E1562-F1565 HydrophobicContact CG-CZ 4.18Å; E1562-F1565 VanDerWaalsContact O-CD2 3.28Å; E1562-F1565 WeakPolarHBondContact O-CD2 3.38Å; E1562-F1565 VanDerWaalsContact O-CE2 3.23Å; E1562-F1565 WeakPolarHBondContact O-CE2 3.38Å; E1562-F1565 WeakPolarHBondContact OE2-CE2 3.49Å; E1562-F1565 VanDerWaalsContact OE2-CZ 3.27Å; E1562-F1565 WeakPolarHBondContact OE2-CZ 3.41Å | ||
| 1563 | L | 52.1 | Low | 40.8 | Very low | 12.4 Ų | 12.4 | 88.4 Ų | 88.4 | 7% | 0.065 | 52% | 0.522 | C | S | . | . | trans | -95 | -21.6 | 177.5 | -73.3 | 177.3 | 0 | 0 | 0 | 112.7 | K1420 L1423 R1424 L1462 L1467 E1470 I1561 | K1420-L1563 HydrophobicContact CB-CD2 4.17Å; K1420-L1563 HydrophobicContact CD-CD2 4.05Å; K1420-L1563 HydrophobicContact CG-CD1 4.41Å; K1420-L1563 HydrophobicContact CG-CD2 3.77Å; L1423-L1563 CarbonylContact C-O 3.56Å; L1423-L1563 HydrophobicContact CB-CB 4.35Å; L1423-L1563 VanDerWaalsContact CB-O 3.29Å; L1423-L1563 WeakPolarHBondContact CB-O 3.38Å; L1423-L1563 HydrophobicContact CD1-CB 4.44Å; L1423-L1563 HydrophobicContact CD1-CD1 4.32Å; L1423-L1563 VanDerWaalsContact O-O 3.09Å; R1424-L1563 WeakPolarHBondContact CA-O 3.34Å; R1424-L1563 HydrophobicContact CG-CD2 4.4Å; R1424-L1563 VanDerWaalsContact CG-O 3.29Å; R1424-L1563 WeakPolarHBondContact CG-O 3.26Å; R1424-L1563 PolarHBondContact N-O 3.13Å; L1462-L1563 HydrophobicContact CD1-CD1 4.16Å; L1467-L1563 HydrophobicContact CD1-CB 4.15Å; L1467-L1563 HydrophobicContact CD1-CD1 4.25Å; E1470-L1563 VanDerWaalsContact CD-N 3.31Å; E1470-L1563 PolarHBondContact OE1-N 3.01Å; E1470-L1563 WeakPolarHBondContact OE2-CB 3.36Å; E1470-L1563 PolarHBondContact OE2-N 3.15Å; E1470-L1563 VanDerWaalsContact OE2-N 3.11Å; I1561-L1563 HydrophobicContact CG2-CB 3.9Å; I1561-L1563 HydrophobicContact CG2-CD1 3.6Å; I1561-L1563 HydrophobicContact CG2-CD2 4.32Å; I1561-L1563 HydrophobicContact CG2-CG 3.92Å; I1561-L1563 VanDerWaalsContact CG2-CG 3.48Å; I1561-L1563 PolarHBondContact O-N 2.77Å | ||
| 1564 | C | 47.1 | Very low | 39.1 | Very low | 4 Ų | 4 | 88.5 Ų | 88.5 | 3% | 0.027 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -103.5 | 87.4 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | L1423 M1426 E1470 K1474 P1478 E1562 | L1423-C1564 WeakPolarHBondContact O-CA 3.38Å; M1426-C1564 HydrophobicContact CE-CB 4.12Å; E1470-C1564 HydrophobicContact CG-CB 4.34Å; E1470-C1564 WeakPolarHBondContact OE1-CA 3.37Å; E1470-C1564 WeakPolarHBondContact OE1-CB 3.39Å; E1470-C1564 PolarHBondContact OE1-N 3.16Å; E1470-C1564 PolarHBondContact OE2-N 3.24Å; K1474-C1564 HydrophobicContact CD-CB 3.56Å; K1474-C1564 VanDerWaalsContact CD-CB 3.49Å; K1474-C1564 WeakPolarHBondContact CD-O 3.34Å; K1474-C1564 VanDerWaalsContact CE-O 3.28Å; K1474-C1564 WeakPolarHBondContact CE-O 3.33Å; K1474-C1564 HydrophobicContact CG-CB 4.19Å; K1474-C1564 PolarHBondContact NZ-O 3.13Å; P1478-C1564 HydrophobicContact CB-CB 4.47Å; E1562-C1564 VanDerWaalsContact C-N 3.28Å |
| 1565 | F | 44.7 | Very low | 37.7 | Very low | 105.4 Ų | 105.4 | 89.9 Ų | 89.9 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | trans | -84.7 | 144.7 | -179.7 | -104.9 | -85.4 | 0 | 0 | 0 | 112.3 | R1424 L1428 E1562 | R1424-F1565 HydrophobicContact CB-CB 4.44Å; R1424-F1565 HydrophobicContact CB-CD2 4.2Å; R1424-F1565 HydrophobicContact CG-CD2 4.23Å; R1424-F1565 HydrophobicContact CG-CE2 4.23Å; R1424-F1565 CarbonylContact O-C 3.52Å; R1424-F1565 VanDerWaalsContact O-CB 3.29Å; R1424-F1565 WeakPolarHBondContact O-CB 3.3Å; R1424-F1565 PolarHBondContact O-N 3.21Å; R1424-F1565 VanDerWaalsContact O-O 3.08Å; L1428-F1565 WeakPolarHBondContact CD1-O 3.25Å; E1562-F1565 HydrophobicContact CB-CD2 4.26Å; E1562-F1565 HydrophobicContact CB-CE2 3.88Å; E1562-F1565 HydrophobicContact CB-CZ 4.06Å; E1562-F1565 HydrophobicContact CG-CE2 4.43Å; E1562-F1565 HydrophobicContact CG-CZ 4.18Å; E1562-F1565 VanDerWaalsContact O-CD2 3.28Å; E1562-F1565 WeakPolarHBondContact O-CD2 3.38Å; E1562-F1565 VanDerWaalsContact O-CE2 3.23Å; E1562-F1565 WeakPolarHBondContact O-CE2 3.38Å; E1562-F1565 WeakPolarHBondContact OE2-CE2 3.49Å; E1562-F1565 VanDerWaalsContact OE2-CZ 3.27Å; E1562-F1565 WeakPolarHBondContact OE2-CZ 3.41Å | ||
| 1566 | V | 33.6 | Very low | 36.2 | Very low | 74.8 Ų | 74.8 | 93 Ų | 93 | 45% | 0.453 | 56% | 0.559 | S | S | . | * | trans | -98.1 | 107.1 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 109 | L1428 K1474 T1568 | L1428-V1566 HydrophobicContact CB-CG1 4.49Å; L1428-V1566 HydrophobicContact CD1-CG1 4.42Å; L1428-V1566 HydrophobicContact CD1-CG2 3.83Å; L1428-V1566 HydrophobicContact CD2-CG1 4.45Å; L1428-V1566 HydrophobicContact CD2-CG2 4.22Å; K1474-V1566 HydrophobicContact CD-CG2 3.13Å; V1566-T1568 HydrophobicContact CB-CG2 4.44Å; V1566-T1568 HydrophobicContact CG1-CG2 3.5Å; V1566-T1568 PolarHBondContact O-N 3.29Å | ||
| 1567 | A | 26 | Very low | 34.8 | Very low | 64.2 Ų | 64.2 | 96.4 Ų | 96.4 | 53% | 0.531 | 58% | 0.578 | S | S | . | * | trans | -80.4 | 103 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T1569 | A1567-T1569 PolarHBondContact O-N 3.25Å; A1567-T1569 VanDerWaalsContact O-N 3.1Å; A1567-T1569 PolarHBondContact O-OG1 3.11Å | ||
| 1568 | T | 24.6 | Very low | 33.5 | Very low | 114.2 Ų | 114.2 | 97.8 Ų | 97.8 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | trans | -77.4 | 112.7 | 175.9 | 6.8 | 0 | 0 | 0 | 0 | 110.3 | K1240 V1566 T1570 | K1240-T1568 WeakPolarHBondContact CE-OG1 3.49Å; K1240-T1568 PolarHBondContact NZ-OG1 2.89Å; V1566-T1568 HydrophobicContact CB-CG2 4.44Å; V1566-T1568 HydrophobicContact CG1-CG2 3.5Å; V1566-T1568 PolarHBondContact O-N 3.29Å; T1568-T1570 PolarHBondContact O-N 2.72Å | ||
| 1569 | T | 24.5 | Very low | 32.3 | Very low | 106.8 Ų | 106.8 | 98.8 Ų | 98.8 | 66% | 0.655 | 59% | 0.592 | S | S | * | * | trans | -92 | 125.8 | 173 | -3 | 0 | 0 | 0 | 0 | 109.6 | A1567 G1571 | A1567-T1569 PolarHBondContact O-N 3.25Å; A1567-T1569 VanDerWaalsContact O-N 3.1Å; A1567-T1569 PolarHBondContact O-OG1 3.11Å; T1569-G1571 VanDerWaalsContact C-N 3.35Å; T1569-G1571 PolarHBondContact O-N 3.36Å | ||
| 1570 | T | 23.4 | Very low | 30.8 | Very low | 123.4 Ų | 123.4 | 103.2 Ų | 103.2 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | trans | -77.1 | 119.9 | 173.4 | 39.1 | 0 | 0 | 0 | 0 | 110 | T1568 T1572 | T1568-T1570 PolarHBondContact O-N 2.72Å; T1570-T1572 PolarHBondContact O-N 2.96Å | ||
| 1571 | G | 23.5 | Very low | 29.6 | Very low | 73.2 Ų | 73.2 | 101.7 Ų | 101.7 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | trans | -87.4 | 123.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1569 I1573 | T1569-G1571 VanDerWaalsContact C-N 3.35Å; T1569-G1571 PolarHBondContact O-N 3.36Å; G1571-I1573 PolarHBondContact O-N 3.41Å | ||
| 1572 | T | 21.4 | Very low | 28.3 | Very low | 128.2 Ų | 128.2 | 104 Ų | 104 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | trans | -88.6 | 121.3 | 164.5 | 26.5 | 0 | 0 | 0 | 0 | 109.7 | T1570 T1574 | T1570-T1572 PolarHBondContact O-N 2.96Å; T1572-T1574 PolarHBondContact O-N 3.08Å; T1572-T1574 VanDerWaalsContact O-N 3.16Å | ||
| 1573 | I | 23.4 | Very low | 26.9 | Very low | 157 Ų | 157 | 107.1 Ų | 107.1 | 81% | 0.805 | 65% | 0.653 | S | S | * | * | trans | -85.6 | 112.2 | 174.1 | -60.4 | 171.8 | 0 | 0 | 0 | 108.4 | G1571 T1575 | G1571-I1573 PolarHBondContact O-N 3.41Å; I1573-T1575 HydrophobicContact CG2-CG2 4.12Å; I1573-T1575 PolarHBondContact O-N 3.02Å; I1573-T1575 VanDerWaalsContact O-N 3.07Å; I1573-T1575 PolarHBondContact O-OG1 3.47Å | ||
| 1574 | T | 21.9 | Very low | 25.5 | Very low | 119 Ų | 119 | 109.7 Ų | 109.7 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | -100.2 | 102.6 | 171 | -38.5 | 0 | 0 | 0 | 0 | 109.1 | T1572 T1576 | T1572-T1574 PolarHBondContact O-N 3.08Å; T1572-T1574 VanDerWaalsContact O-N 3.16Å; T1574-T1576 PolarHBondContact O-N 3.43Å | ||
| 1575 | T | 23 | Very low | 24.3 | Very low | 119.8 Ų | 119.8 | 114.9 Ų | 114.9 | 74% | 0.735 | 72% | 0.719 | S | S | * | * | trans | -83.9 | 111.6 | 165.8 | 20.4 | 0 | 0 | 0 | 0 | 109.9 | I1573 T1577 | I1573-T1575 HydrophobicContact CG2-CG2 4.12Å; I1573-T1575 PolarHBondContact O-N 3.02Å; I1573-T1575 VanDerWaalsContact O-N 3.07Å; I1573-T1575 PolarHBondContact O-OG1 3.47Å; T1575-T1577 PolarHBondContact O-N 3.36Å | ||
| 1576 | T | 22.3 | Very low | 23.2 | Very low | 120.8 Ų | 120.8 | 118.1 Ų | 118.1 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -79.6 | 113.3 | 154.4 | 46.2 | 0 | 0 | 0 | 0 | 111.6 | T1574 T1578 | T1574-T1576 PolarHBondContact O-N 3.43Å; T1576-T1578 PolarHBondContact O-N 3.06Å | ||
| 1577 | T | 22.2 | Very low | 22.7 | Very low | 126.2 Ų | 126.2 | 121.7 Ų | 121.7 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | trans | -53.4 | 121.7 | 163.4 | 42.2 | 0 | 0 | 0 | 0 | 114.1 | T1575 T1579 | T1575-T1577 PolarHBondContact O-N 3.36Å; T1577-T1579 PolarHBondContact O-N 3.47Å | ||
| 1578 | T | 21.9 | Very low | 22.6 | Very low | 129.8 Ų | 129.8 | 124.9 Ų | 124.9 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -143.4 | 108.7 | 142.4 | 31.7 | 0 | 0 | 0 | 0 | 111.7 | T1576 | T1576-T1578 PolarHBondContact O-N 3.06Š| ||
| 1579 | T | 21.4 | Very low | 22.8 | Very low | 126.8 Ų | 126.8 | 125.5 Ų | 125.5 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -61 | 121.6 | 145.5 | 43.7 | 0 | 0 | 0 | 0 | 113 | T1577 T1581 | T1577-T1579 PolarHBondContact O-N 3.47Å; T1579-T1581 PolarHBondContact O-N 3.48Å | ||
| 1580 | T | 21.9 | Very low | 22.7 | Very low | 130.2 Ų | 130.2 | 123.9 Ų | 123.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -133.9 | 122.1 | 132 | -16.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1581 | T | 21.8 | Very low | 22.6 | Very low | 123.6 Ų | 123.6 | 126.3 Ų | 126.3 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -60.8 | 125.6 | 149.7 | -11.8 | 0 | 0 | 0 | 0 | 113.9 | T1579 | T1579-T1581 PolarHBondContact O-N 3.48Š| ||
| 1582 | T | 21.9 | Very low | 22.5 | Very low | 119.6 Ų | 119.6 | 129.8 Ų | 129.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -144.7 | 142.3 | 135.5 | -13.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1583 | I | 22 | Very low | 22.5 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | 78.5 | 127.5 | 153.1 | -53.1 | 165.7 | 0 | 0 | 0 | 114.4 | ||||
| 1584 | G | 23.9 | Very low | 22.4 | Very low | 67.6 Ų | 67.6 | 128.9 Ų | 128.9 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | cis | 156.3 | 147.1 | 46.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1585 | S | 21.4 | Very low | 22.5 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -2.3 | 123.3 | 168.8 | -112 | 0 | 0 | 0 | 0 | 116 | ||||
| 1586 | M | 20.5 | Very low | 22.4 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | 113.5 | 111.6 | 95.3 | -74.7 | -101.7 | 145.7 | 0 | 0 | 112.6 | |||||
| 1587 | N | 23.1 | Very low | 22.5 | Very low | 149.6 Ų | 149.6 | 131.2 Ų | 131.2 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -132.1 | 120.7 | 150.3 | -78.1 | -19.8 | 0 | 0 | 0 | 112 | ||||
| 1588 | T | 25.3 | Very low | 22.4 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | -153.7 | 151.5 | 129.8 | 27.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1589 | P | 27 | Very low | 22.5 | Very low | 126.4 Ų | 126.4 | 130.6 Ų | 130.6 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | trans | -98.6 | 149.5 | -161.9 | 32.8 | -25.7 | 0 | 0 | 0 | 112.7 | ||||
| 1590 | G | 22.7 | Very low | 22.6 | Very low | 73.2 Ų | 73.2 | 129 Ų | 129 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -154.7 | 125.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1591 | Q | 21.6 | Very low | 23 | Very low | 173.4 Ų | 173.4 | 128.4 Ų | 128.4 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -86.3 | 143.1 | 161.2 | -79.3 | -162.4 | -19.6 | 0 | 0 | 113.3 | ||||
| 1592 | I | 21.4 | Very low | 23.2 | Very low | 147.8 Ų | 147.8 | 128.8 Ų | 128.8 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 174.8 | 125.8 | 138.6 | -73.9 | 164 | 0 | 0 | 0 | 111.4 | ||||
| 1593 | I | 22.5 | Very low | 23.2 | Very low | 139.6 Ų | 139.6 | 130.1 Ų | 130.1 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | trans | -131.5 | 129.1 | 140 | -82.2 | 170.2 | 0 | 0 | 0 | 111.2 | S1595 | I1593-S1595 PolarHBondContact O-N 3.36Š| ||
| 1594 | V | 21.2 | Very low | 23.3 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -36.8 | 126.2 | 150.7 | 176.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1595 | S | 22.6 | Very low | 23.2 | Very low | 106.6 Ų | 106.6 | 130 Ų | 130 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | -165.1 | 124.1 | 156.2 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | I1593 | I1593-S1595 PolarHBondContact O-N 3.36Š| ||
| 1596 | N | 21.2 | Very low | 23.3 | Very low | 145.8 Ų | 145.8 | 132.2 Ų | 132.2 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -65 | 147.2 | 134.1 | -101 | -2.6 | 0 | 0 | 0 | 112.6 | ||||
| 1597 | I | 24.9 | Very low | 23.3 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -170.2 | 111.1 | 151.8 | -12 | 178.8 | 0 | 0 | 0 | 113.6 | ||||
| 1598 | T | 21 | Very low | 23.3 | Very low | 125.4 Ų | 125.4 | 128.5 Ų | 128.5 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -47.5 | 131.9 | 142.8 | 47.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1599 | S | 23.2 | Very low | 23.1 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 170.1 | 124.1 | 142.4 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1600 | A | 23.6 | Very low | 22.8 | Very low | 93.4 Ų | 93.4 | 129.8 Ų | 129.8 | 77% | 0.772 | 77% | 0.765 | S | S | * | * | trans | -82.2 | 167.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1601 | P | 30.4 | Very low | 22.8 | Very low | 118.2 Ų | 118.2 | 137 Ų | 137 | 77% | 0.768 | 77% | 0.771 | S | S | * | * | trans | -107.9 | 151.5 | -167.2 | 34.7 | -24.4 | 0 | 0 | 0 | 113.3 | ||||
| 1602 | V | 24.9 | Very low | 23 | Very low | 132.6 Ų | 132.6 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -124.7 | 130.6 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 108.9 | T1604 | V1602-T1604 HydrophobicContact CG1-CG2 4.45Š| ||
| 1603 | I | 22.7 | Very low | 23 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -59.5 | 124.5 | 170.4 | -56.1 | 178.8 | 0 | 0 | 0 | 111 | ||||
| 1604 | T | 23.8 | Very low | 23.1 | Very low | 116.2 Ų | 116.2 | 131.6 Ų | 131.6 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | -164.9 | 142.6 | 122.3 | 21.3 | 0 | 0 | 0 | 0 | 112 | V1602 | V1602-T1604 HydrophobicContact CG1-CG2 4.45Š| |||
| 1605 | T | 22.4 | Very low | 23 | Very low | 119.6 Ų | 119.6 | 131.3 Ų | 131.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -104.6 | 127.1 | 107 | 33.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1606 | I | 23.9 | Very low | 22.8 | Very low | 157.8 Ų | 157.8 | 131.2 Ų | 131.2 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | trans | -133.1 | 116.9 | 139.6 | -56.7 | 175 | 0 | 0 | 0 | 109.5 | S1608 | I1606-S1608 PolarHBondContact O-N 3.36Š| ||
| 1607 | D | 20.9 | Very low | 22.8 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -78.7 | 131.1 | 145.5 | -162.2 | 3.5 | 0 | 0 | 0 | 113.6 | ||||
| 1608 | S | 21.6 | Very low | 22.6 | Very low | 101.4 Ų | 101.4 | 131.7 Ų | 131.7 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -98.3 | 133 | 160.5 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | I1606 | I1606-S1608 PolarHBondContact O-N 3.36Š| ||
| 1609 | S | 21.5 | Very low | 22.7 | Very low | 100.2 Ų | 100.2 | 131.9 Ų | 131.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 175.8 | 125.2 | 169.9 | 58 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1610 | F | 20.7 | Very low | 22.7 | Very low | 184.8 Ų | 184.8 | 132.1 Ų | 132.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 157 | 101.8 | 146.6 | -125.8 | -95 | 0 | 0 | 0 | 111.5 | P1612 | F1610-P1612 HydrophobicContact CD1-CG 4.36Å; F1610-P1612 HydrophobicContact CE1-CG 4.38Å | ||
| 1611 | Y | 21.8 | Very low | 22.9 | Very low | 223.4 Ų | 223.4 | 133.4 Ų | 133.4 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | trans | -127 | 125 | 147.5 | -92.4 | -85.2 | 0 | 0 | 0 | 110.4 | ||||
| 1612 | P | 26.4 | Very low | 22.4 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -107.7 | 152.3 | 132 | 34.3 | -24.3 | 0 | 0 | 0 | 111.3 | F1610 | F1610-P1612 HydrophobicContact CD1-CG 4.36Å; F1610-P1612 HydrophobicContact CE1-CG 4.38Å | ||
| 1613 | G | 22.8 | Very low | 22.3 | Very low | 73.2 Ų | 73.2 | 137.9 Ų | 137.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 124.2 | 108.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1614 | I | 23.8 | Very low | 22.2 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -134.2 | 119.5 | 159.4 | -73.2 | 163.1 | 0 | 0 | 0 | 107.6 | S1616 | I1614-S1616 PolarHBondContact O-N 2.87Š| ||
| 1615 | C | 18.6 | Very low | 22.1 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -99.6 | 117.3 | 152.5 | -141.4 | 0 | 0 | 0 | 0 | 111.1 | S1617 | C1615-S1617 PolarHBondContact O-N 3.27Š| ||
| 1616 | S | 18.9 | Very low | 22.1 | Very low | 105.4 Ų | 105.4 | 137.5 Ų | 137.5 | 74% | 0.737 | 78% | 0.78 | S | S | * | * | trans | -166.8 | 109.6 | 158.1 | 36 | 0 | 0 | 0 | 0 | 114.3 | I1614 | I1614-S1616 PolarHBondContact O-N 2.87Š| ||
| 1617 | S | 21.7 | Very low | 22 | Very low | 104.4 Ų | 104.4 | 135.5 Ų | 135.5 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -177.8 | 116.4 | 149.7 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | C1615 T1619 | C1615-S1617 PolarHBondContact O-N 3.27Å; S1617-T1619 PolarHBondContact O-N 2.95Å | ||
| 1618 | F | 20.8 | Very low | 22.1 | Very low | 205.2 Ų | 205.2 | 134.4 Ų | 134.4 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | trans | -114.9 | 109.1 | 151 | -100.5 | -96.5 | 0 | 0 | 0 | 111.4 | ||||
| 1619 | T | 23.1 | Very low | 22 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -127.4 | 125.8 | 154.2 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | S1617 | S1617-T1619 PolarHBondContact O-N 2.95Š| ||
| 1620 | T | 22.3 | Very low | 22 | Very low | 120.4 Ų | 120.4 | 135 Ų | 135 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | -78.8 | 140.8 | 164.9 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1621 | P | 27.2 | Very low | 22 | Very low | 121.2 Ų | 121.2 | 133 Ų | 133 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -91.2 | 123.5 | 160.3 | 27.1 | -18.8 | 0 | 0 | 0 | 111.1 | ||||
| 1622 | D | 20.7 | Very low | 22.1 | Very low | 145.2 Ų | 145.2 | 126.7 Ų | 126.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 144.8 | 162.3 | -79.6 | -49 | 0 | 0 | 0 | 110.8 | ||
| 1623 | F | 22.5 | Very low | 21.9 | Very low | 200.8 Ų | 200.8 | 125.8 Ų | 125.8 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | trans | -141.8 | 118.7 | 167.9 | -100.5 | -90.2 | 0 | 0 | 0 | 112 | V1625 | F1623-V1625 HydrophobicContact CD1-CG2 3.89Å; F1623-V1625 HydrophobicContact CE1-CG2 3.84Å | ||
| 1624 | S | 21.5 | Very low | 22 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -131 | 131.8 | 157.1 | 64 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1625 | V | 21.3 | Very low | 21.9 | Very low | 122.8 Ų | 122.8 | 126.4 Ų | 126.4 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -120.7 | 124.6 | 159.1 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | F1623 T1627 | F1623-V1625 HydrophobicContact CD1-CG2 3.89Å; F1623-V1625 HydrophobicContact CE1-CG2 3.84Å; V1625-T1627 PolarHBondContact O-N 3.44Å | ||
| 1626 | I | 22.2 | Very low | 22.1 | Very low | 149.2 Ų | 149.2 | 126.6 Ų | 126.6 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -107.3 | 116 | 153.5 | -58 | 176.9 | 0 | 0 | 0 | 111.3 | ||||
| 1627 | T | 22.3 | Very low | 22.2 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 164 | 113.3 | 132.8 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | V1625 V1629 | V1625-T1627 PolarHBondContact O-N 3.44Å; T1627-V1629 HydrophobicContact CG2-CG2 4.15Å | ||
| 1628 | T | 22.4 | Very low | 22.2 | Very low | 121.8 Ų | 121.8 | 128.2 Ų | 128.2 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | 67 | 123.1 | 144.6 | -4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1629 | V | 20.1 | Very low | 22.3 | Very low | 130.2 Ų | 130.2 | 124 Ų | 124 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | trans | 85.9 | 128.3 | 140.9 | 175.9 | 0 | 0 | 0 | 0 | 115.1 | T1627 | T1627-V1629 HydrophobicContact CG2-CG2 4.15Š| ||
| 1630 | A | 21.5 | Very low | 22.2 | Very low | 85.6 Ų | 85.6 | 127.4 Ų | 127.4 | 71% | 0.707 | 77% | 0.767 | S | S | * | * | trans | 39.1 | 128.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1631 | V | 21.1 | Very low | 22.2 | Very low | 141.6 Ų | 141.6 | 126.7 Ų | 126.7 | 86% | 0.858 | 77% | 0.767 | S | S | * | * | 68.6 | 119.4 | 125.4 | 176.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1632 | A | 22.4 | Very low | 22 | Very low | 92.6 Ų | 92.6 | 126 Ų | 126 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 167.4 | 120.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1633 | A | 23.1 | Very low | 22.1 | Very low | 90.4 Ų | 90.4 | 122.7 Ų | 122.7 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | 113.1 | 123 | 138.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1634 | T | 23.9 | Very low | 22.1 | Very low | 127.4 Ų | 127.4 | 117.4 Ų | 117.4 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 58.7 | 113.5 | 142.8 | -49.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1635 | T | 22.6 | Very low | 22.2 | Very low | 121.6 Ų | 121.6 | 118.4 Ų | 118.4 | 75% | 0.746 | 77% | 0.767 | S | S | * | * | trans | -65.6 | 115.6 | 133.6 | -52.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1636 | T | 22.2 | Very low | 22.3 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -111.3 | 128.2 | 139 | 4.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1637 | V | 22.1 | Very low | 22.3 | Very low | 123.6 Ų | 123.6 | 117.7 Ų | 117.7 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -168.6 | 110.2 | 144.7 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1638 | T | 21.7 | Very low | 22.4 | Very low | 121.4 Ų | 121.4 | 115.8 Ų | 115.8 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -83.6 | 129.1 | 156.8 | 38.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1639 | T | 21.3 | Very low | 22.5 | Very low | 116.2 Ų | 116.2 | 115.3 Ų | 115.3 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | 130 | 129.7 | 129.1 | 40.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1640 | F | 21.9 | Very low | 22.8 | Very low | 203 Ų | 203 | 116.6 Ų | 116.6 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | 151.7 | 130.6 | 151.5 | -83.5 | -74.8 | 0 | 0 | 0 | 111.7 | ||||
| 1641 | S | 22.3 | Very low | 22.9 | Very low | 105.8 Ų | 105.8 | 119.8 Ų | 119.8 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | 179.6 | 133.2 | 52.7 | 72.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1642 | A | 22.6 | Very low | 23.5 | Very low | 105.4 Ų | 105.4 | 118.1 Ų | 118.1 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | 72.5 | 129.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1643 | G | 22.5 | Very low | 23.5 | Very low | 75.4 Ų | 75.4 | 118.4 Ų | 118.4 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | 132.4 | 96.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1644 | A | 22.6 | Very low | 23.5 | Very low | 89.8 Ų | 89.8 | 119.4 Ų | 119.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | 84.1 | 135.1 | 82.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1645 | T | 23.6 | Very low | 23.6 | Very low | 123.2 Ų | 123.2 | 121.6 Ų | 121.6 | 76% | 0.756 | 77% | 0.773 | S | S | * | * | trans | 68.4 | 125.7 | 133.5 | 61.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1646 | T | 23.6 | Very low | 23.6 | Very low | 118.6 Ų | 118.6 | 124.2 Ų | 124.2 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | 111.1 | 143.1 | 107.7 | 49.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1647 | T | 22.8 | Very low | 23.7 | Very low | 138.4 Ų | 138.4 | 127 Ų | 127 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | trans | 71.4 | 130.2 | 133.3 | 47.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1648 | G | 23.6 | Very low | 23.8 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | 145.1 | 91 | 61.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1649 | S | 25.7 | Very low | 24 | Very low | 112.6 Ų | 112.6 | 133.2 Ų | 133.2 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | -81.9 | 138.3 | 170.9 | 59 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1650 | N | 25.2 | Very low | 24.1 | Very low | 156.2 Ų | 156.2 | 135.6 Ų | 135.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -137.9 | 142.1 | 137.7 | -90.5 | -28.1 | 0 | 0 | 0 | 111.5 | ||||
| 1651 | L | 25.2 | Very low | 24.2 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -41.9 | 158.6 | 147.9 | -133.4 | 73.1 | 0 | 0 | 0 | 112.4 | S1653 | L1651-S1653 WeakPolarHBondContact CD1-OG 3.23Š| ||
| 1652 | P | 32.9 | Very low | 24.5 | Very low | 106.4 Ų | 106.4 | 133 Ų | 133 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | cis | -135.7 | 168.6 | -13.1 | 34.3 | -14.2 | 0 | 0 | 0 | 114.9 | ||||
| 1653 | S | 21.9 | Very low | 24.6 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 69.2 | 120.5 | 110 | -9.4 | 0 | 0 | 0 | 0 | 119.9 | L1651 | L1651-S1653 WeakPolarHBondContact CD1-OG 3.23Š| |||
| 1654 | S | 24.1 | Very low | 24.6 | Very low | 110.4 Ų | 110.4 | 140.7 Ų | 140.7 | 77% | 0.772 | 80% | 0.797 | S | S | * | * | trans | 78.5 | 125 | 135.9 | -49.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1655 | E | 24.7 | Very low | 24.7 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 106 | 128 | 134.8 | -86.3 | 176.2 | 138.3 | 0 | 0 | 116 | ||||
| 1656 | Q | 23.4 | Very low | 24.9 | Very low | 176.8 Ų | 176.8 | 141.9 Ų | 141.9 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | 69.5 | 92 | 128.8 | -79.7 | -174.6 | -0.2 | 0 | 0 | 119.6 | |||||
| 1657 | Q | 23.4 | Very low | 24.9 | Very low | 184.2 Ų | 184.2 | 145.8 Ų | 145.8 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -166.3 | 112.5 | 130.4 | -153.3 | 148.4 | 8.7 | 0 | 0 | 113.1 | ||||
| 1658 | K | 25.5 | Very low | 25.1 | Very low | 193.4 Ų | 193.4 | 147.9 Ų | 147.9 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | 172.6 | 112.9 | 154.6 | -134 | 176.2 | -179.9 | 178.3 | 0 | 111.6 | ||||
| 1659 | Q | 25.1 | Very low | 25.1 | Very low | 180.6 Ų | 180.6 | 152.8 Ų | 152.8 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | trans | 117.4 | 103.9 | 146.2 | -91.6 | 175.7 | -15.6 | 0 | 0 | 112.2 | ||||
| 1660 | L | 23.4 | Very low | 25.1 | Very low | 166.6 Ų | 166.6 | 155.9 Ų | 155.9 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | -160.5 | 92.1 | 127.7 | -159.3 | 117 | 0 | 0 | 0 | 110.9 | N1662 | L1660-N1662 PolarHBondContact O-N 3.3Š| |||
| 1661 | S | 23.7 | Very low | 24.8 | Very low | 101.8 Ų | 101.8 | 156.6 Ų | 156.6 | 71% | 0.712 | 81% | 0.805 | S | S | * | * | trans | -147.6 | 106 | 163.1 | 144.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1662 | N | 28 | Very low | 24.7 | Very low | 152.2 Ų | 152.2 | 157.6 Ų | 157.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -172.3 | 81.8 | 160.2 | -88.4 | -10.3 | 0 | 0 | 0 | 112.6 | L1660 | L1660-N1662 PolarHBondContact O-N 3.3Š| ||
| 1663 | M | 24.8 | Very low | 24.2 | Very low | 182.4 Ų | 182.4 | 160.8 Ų | 160.8 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | 174.1 | 54.2 | 146.6 | -141.1 | -162.3 | -66.9 | 0 | 0 | 114 | A1665 | M1663-A1665 PolarHBondContact O-N 2.86Š| ||
| 1664 | L | 23.8 | Very low | 24.2 | Very low | 160.2 Ų | 160.2 | 163.6 Ų | 163.6 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -108.4 | 91.8 | 161.6 | -105.7 | 157.5 | 0 | 0 | 0 | 110.1 | ||||
| 1665 | A | 24.8 | Very low | 24 | Very low | 85.6 Ų | 85.6 | 163.2 Ų | 163.2 | 71% | 0.707 | 81% | 0.814 | S | S | * | * | trans | -143.3 | 113.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1663 | M1663-A1665 PolarHBondContact O-N 2.86Š| ||
| 1666 | L | 26.9 | Very low | 24.3 | Very low | 154.4 Ų | 154.4 | 160.7 Ų | 160.7 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | -174.7 | 95.8 | 155.6 | -94.3 | 173.9 | 0 | 0 | 0 | 113.3 | ||||
| 1667 | F | 24 | Very low | 24.3 | Very low | 200.6 Ų | 200.6 | 158.6 Ų | 158.6 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -171.4 | 90.9 | 166.8 | -98.1 | -87.9 | 0 | 0 | 0 | 116.3 | ||||
| 1668 | H | 26.2 | Very low | 24.2 | Very low | 181.2 Ų | 181.2 | 156.7 Ų | 156.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -177.1 | 132.6 | 149.8 | -126.2 | 43.1 | 0 | 0 | 0 | 114 | ||||
| 1669 | K | 23.9 | Very low | 23.9 | Very low | 178.2 Ų | 178.2 | 153 Ų | 153 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -154.3 | 111.9 | -166.9 | -174.3 | -175.1 | -178.3 | -176.2 | 0 | 110.7 | ||||
| 1670 | H | 25.3 | Very low | 23.7 | Very low | 177.6 Ų | 177.6 | 151.9 Ų | 151.9 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 177.4 | 119.7 | 145.4 | -100.3 | 75.1 | 0 | 0 | 0 | 110.9 | ||||
| 1671 | Q | 20.5 | Very low | 23.6 | Very low | 169.8 Ų | 169.8 | 149 Ų | 149 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -162.3 | 122.6 | 147.4 | -164.5 | 177.9 | 19 | 0 | 0 | 109.6 | ||||
| 1672 | Q | 22.9 | Very low | 23.5 | Very low | 173.4 Ų | 173.4 | 150.6 Ų | 150.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 152.8 | 120.8 | 160.1 | -86.1 | 170.6 | 25.7 | 0 | 0 | 113.9 | ||||
| 1673 | Q | 21.6 | Very low | 23.1 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | 79.4 | 121.5 | 130.9 | -153.2 | 175.7 | -27.4 | 0 | 0 | 114.2 | ||||
| 1674 | I | 22.2 | Very low | 22.9 | Very low | 160 Ų | 160 | 152 Ų | 152 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | trans | -143 | 127.5 | 151.5 | -63.5 | 168.3 | 0 | 0 | 0 | 112.4 | ||||
| 1675 | S | 20.7 | Very low | 22.7 | Very low | 102.2 Ų | 102.2 | 149 Ų | 149 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | -85 | 155.3 | 166.6 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1676 | P | 29.3 | Very low | 22.6 | Very low | 119.6 Ų | 119.6 | 150.7 Ų | 150.7 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -104.2 | 151.4 | -178.2 | 35.5 | -27.1 | 0 | 0 | 0 | 112.8 | ||||
| 1677 | T | 23.5 | Very low | 22.3 | Very low | 133.2 Ų | 133.2 | 154.2 Ų | 154.2 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -136.1 | 141.9 | 166.5 | -37.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1678 | D | 22.1 | Very low | 22.2 | Very low | 144.6 Ų | 144.6 | 149.5 Ų | 149.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -30.2 | 142.2 | 178.4 | -67.7 | -52.1 | 0 | 0 | 0 | 116.8 | ||||
| 1679 | C | 18.6 | Very low | 22.1 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -57.7 | 132.6 | 158.8 | 59.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1680 | I | 22 | Very low | 22.4 | Very low | 157.4 Ų | 157.4 | 145 Ų | 145 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -156.7 | 136.4 | 138.7 | -76 | 164.5 | 0 | 0 | 0 | 111.7 | ||||
| 1681 | S | 20.3 | Very low | 22.3 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -51.6 | 124.2 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1682 | T | 22.6 | Very low | 22.5 | Very low | 134.4 Ų | 134.4 | 139.9 Ų | 139.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -91.6 | 124.1 | 136.6 | 19.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1683 | Q | 19.9 | Very low | 22.6 | Very low | 180.6 Ų | 180.6 | 138.3 Ų | 138.3 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -110.4 | 130.9 | 158.2 | -101.5 | -177.4 | 8 | 0 | 0 | 112.8 | ||||
| 1684 | Q | 19.5 | Very low | 22.8 | Very low | 183.8 Ų | 183.8 | 137.3 Ų | 137.3 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -134 | 117 | 142.5 | -86.1 | 174.3 | -28.5 | 0 | 0 | 111.4 | ||||
| 1685 | S | 20.1 | Very low | 22.9 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | 173.3 | 124.9 | 123.2 | 104 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1686 | V | 21.9 | Very low | 23 | Very low | 120.4 Ų | 120.4 | 137 Ų | 137 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | 27.3 | 112.1 | 158.2 | -173.9 | 0 | 0 | 0 | 0 | 114.7 | S1688 | V1686-S1688 VanDerWaalsContact CG1-OG 3.26Å; V1686-S1688 WeakPolarHBondContact CG1-OG 3.41Å | ||
| 1687 | Y | 22.1 | Very low | 22.9 | Very low | 229 Ų | 229 | 139 Ų | 139 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -87 | 115.2 | 156.8 | -76.2 | -77.7 | 0 | 0 | 0 | 110.8 | ||||
| 1688 | S | 20.5 | Very low | 23 | Very low | 100.2 Ų | 100.2 | 139.4 Ų | 139.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -118.5 | 129.2 | 159.2 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | V1686 | V1686-S1688 VanDerWaalsContact CG1-OG 3.26Å; V1686-S1688 WeakPolarHBondContact CG1-OG 3.41Å | ||
| 1689 | T | 23.9 | Very low | 23.1 | Very low | 139.4 Ų | 139.4 | 140.5 Ų | 140.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -146.4 | 141.3 | 161 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1690 | P | 31.6 | Very low | 23.3 | Very low | 125.4 Ų | 125.4 | 141.9 Ų | 141.9 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -105.6 | 154.6 | -158.2 | 27.6 | -15.7 | 0 | 0 | 0 | 112.9 | ||||
| 1691 | G | 23.2 | Very low | 23.5 | Very low | 71.2 Ų | 71.2 | 139.3 Ų | 139.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 57.5 | 135.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 115 | D1693 | G1691-D1693 PolarHBondContact O-N 2.88Š| ||
| 1692 | L | 24.6 | Very low | 23.5 | Very low | 170.6 Ų | 170.6 | 139.6 Ų | 139.6 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -128.6 | 117.8 | 161.2 | -118.3 | 101.9 | 0 | 0 | 0 | 110.1 | I1694 | L1692-I1694 PolarHBondContact O-N 3.29Š| ||
| 1693 | D | 24.1 | Very low | 23.6 | Very low | 138.4 Ų | 138.4 | 139.7 Ų | 139.7 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -109.3 | 121.4 | 179.4 | -128.2 | -32.4 | 0 | 0 | 0 | 110.3 | G1691 T1695 | G1691-D1693 PolarHBondContact O-N 2.88Å; D1693-T1695 PolarHBondContact O-N 2.91Å; D1693-T1695 VanDerWaalsContact O-N 3.09Å; D1693-T1695 WeakPolarHBondContact OD1-CB 3.29Å; D1693-T1695 PolarHBondContact OD1-OG1 2.98Å | ||
| 1694 | I | 25.4 | Very low | 23.7 | Very low | 154.8 Ų | 154.8 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -130.9 | 83.5 | 161 | -65 | 173.5 | 0 | 0 | 0 | 109.3 | L1692 N1696 | L1692-I1694 PolarHBondContact O-N 3.29Å; I1694-N1696 HydrophobicContact CG2-CB 4.11Å; I1694-N1696 PolarHBondContact O-N 2.98Å | ||
| 1695 | T | 24.1 | Very low | 23.9 | Very low | 118.2 Ų | 118.2 | 132.5 Ų | 132.5 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | trans | -104.2 | 98 | 169.9 | -40.3 | 0 | 0 | 0 | 0 | 111.3 | D1693 | D1693-T1695 PolarHBondContact O-N 2.91Å; D1693-T1695 VanDerWaalsContact O-N 3.09Å; D1693-T1695 WeakPolarHBondContact OD1-CB 3.29Å; D1693-T1695 PolarHBondContact OD1-OG1 2.98Å | ||
| 1696 | N | 24.7 | Very low | 24.1 | Very low | 137.4 Ų | 137.4 | 134.5 Ų | 134.5 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | trans | -158.9 | 75.9 | 164.9 | -101.4 | -27.1 | 0 | 0 | 0 | 114.6 | I1694 I1698 | I1694-N1696 HydrophobicContact CG2-CB 4.11Å; I1694-N1696 PolarHBondContact O-N 2.98Å; N1696-I1698 HydrophobicContact CB-CD1 4.14Å; N1696-I1698 HydrophobicContact CB-CG1 4.38Å | ||
| 1697 | L | 26.6 | Very low | 24.3 | Very low | 161.8 Ų | 161.8 | 136 Ų | 136 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -159.8 | 69.1 | 139.2 | -113.9 | 144.7 | 0 | 0 | 0 | 111.1 | ||||
| 1698 | I | 24.7 | Very low | 24.2 | Very low | 139.8 Ų | 139.8 | 130.5 Ų | 130.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | 41 | 95.9 | 125.9 | -55.4 | 179.8 | 0 | 0 | 0 | 111.3 | N1696 | N1696-I1698 HydrophobicContact CB-CD1 4.14Å; N1696-I1698 HydrophobicContact CB-CG1 4.38Å | |||
| 1699 | Q | 24.8 | Very low | 24.4 | Very low | 167.8 Ų | 167.8 | 130.5 Ų | 130.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 113.3 | 109.8 | 131.8 | -140.1 | -179.2 | -32.5 | 0 | 0 | 111.7 | ||||
| 1700 | N | 23.8 | Very low | 24.4 | Very low | 143.8 Ų | 143.8 | 130.6 Ų | 130.6 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | -178.1 | 134.8 | 109.6 | -118 | -4 | 0 | 0 | 0 | 109.9 | |||||
| 1701 | S | 24.5 | Very low | 24 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 143 | 104.8 | 151 | 57 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1702 | S | 21.6 | Very low | 24.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 147.5 | 102.1 | 139.3 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1703 | T | 23.5 | Very low | 24.1 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -158.7 | 123.2 | 136.2 | 20.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1704 | S | 22.6 | Very low | 24.1 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | 95.3 | 129.5 | 124.3 | -107.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1705 | S | 23.6 | Very low | 24.1 | Very low | 95.2 Ų | 95.2 | 138.5 Ų | 138.5 | 67% | 0.666 | 77% | 0.773 | S | S | * | * | -176.2 | 139.8 | 116.1 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1706 | N | 25 | Very low | 24.1 | Very low | 138.6 Ų | 138.6 | 137.7 Ų | 137.7 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 77.4 | 123 | 148.6 | -67.9 | -13.3 | 0 | 0 | 0 | 117 | ||||
| 1707 | N | 25.3 | Very low | 24 | Very low | 152.8 Ų | 152.8 | 135.8 Ų | 135.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | 116.4 | 117.5 | 124.2 | -88.1 | -18.6 | 0 | 0 | 0 | 118.1 | |||||
| 1708 | C | 20.7 | Very low | 23.9 | Very low | 113.6 Ų | 113.6 | 132.3 Ų | 132.3 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | 51.6 | 128 | 127.9 | -137.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1709 | S | 23.6 | Very low | 23.9 | Very low | 98.8 Ų | 98.8 | 133.4 Ų | 133.4 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 138.9 | 130.6 | 142.9 | 52.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1710 | N | 24.1 | Very low | 23.9 | Very low | 142.8 Ų | 142.8 | 130.1 Ų | 130.1 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 100.4 | 131.8 | 138.9 | -77 | -32.9 | 0 | 0 | 0 | 116.2 | ||||
| 1711 | Q | 24.5 | Very low | 23.9 | Very low | 176.8 Ų | 176.8 | 127.4 Ų | 127.4 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | 112 | 118.3 | 130.2 | -86.5 | -174.7 | 26 | 0 | 0 | 114.8 | ||||
| 1712 | T | 23.8 | Very low | 23.9 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | 84.6 | 109.5 | 136.9 | -51.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1713 | R | 24.5 | Very low | 24.1 | Very low | 225 Ų | 225 | 128.3 Ų | 128.3 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | trans | 154 | 114.8 | 138.8 | -97.8 | 170.7 | -173.4 | -168.4 | 1.8 | 114.2 | T1715 | R1713-T1715 HydrophobicContact CB-CG2 4.46Å; R1713-T1715 PolarHBondContact O-N 3.42Å | ||
| 1714 | Q | 25.6 | Very low | 24.2 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -3.3 | 96.5 | 136.7 | -76.6 | 168.7 | -3.9 | 0 | 0 | 113.7 | A1716 | Q1714-A1716 PolarHBondContact O-N 3.48Š| ||
| 1715 | T | 25.1 | Very low | 24.3 | Very low | 139.4 Ų | 139.4 | 125.1 Ų | 125.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | -156.3 | 80 | 128.5 | 52 | 0 | 0 | 0 | 0 | 112.2 | R1713 | R1713-T1715 HydrophobicContact CB-CG2 4.46Å; R1713-T1715 PolarHBondContact O-N 3.42Å | |||
| 1716 | A | 23.4 | Very low | 24.4 | Very low | 102.6 Ų | 102.6 | 128.5 Ų | 128.5 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -127.2 | 103.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q1714 | Q1714-A1716 PolarHBondContact O-N 3.48Š| ||
| 1717 | A | 24 | Very low | 24.4 | Very low | 97.4 Ų | 97.4 | 131.4 Ų | 131.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -147.5 | 80.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1718 | A | 24.4 | Very low | 24.4 | Very low | 87.8 Ų | 87.8 | 133.1 Ų | 133.1 | 73% | 0.726 | 80% | 0.796 | S | S | * | * | trans | -83.9 | 68.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1720 | A1718-A1720 HydrophobicContact CB-CB 4.39Š| ||
| 1719 | I | 24.1 | Very low | 24.4 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | 22.1 | 37.5 | 120.6 | -52 | 174.2 | 0 | 0 | 0 | 112.4 | |||||
| 1720 | A | 24.4 | Very low | 24.4 | Very low | 97.6 Ų | 97.6 | 137.9 Ų | 137.9 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -107.7 | 30.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1718 | A1718-A1720 HydrophobicContact CB-CB 4.39Š| ||
| 1721 | A | 24.2 | Very low | 24.3 | Very low | 86.2 Ų | 86.2 | 138.5 Ų | 138.5 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | -103.5 | 32.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1723 | A1721-V1723 PolarHBondContact O-N 3.36Š| ||
| 1722 | A | 24.7 | Very low | 24.2 | Very low | 93.2 Ų | 93.2 | 139.6 Ų | 139.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -104.6 | 12.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1723 | V | 25 | Very low | 24.2 | Very low | 142.8 Ų | 142.8 | 137.6 Ų | 137.6 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -115.6 | 32.6 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | A1721 | A1721-V1723 PolarHBondContact O-N 3.36Š|
| 1724 | A | 25.9 | Very low | 24.6 | Very low | 98.4 Ų | 98.4 | 133.1 Ų | 133.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -130.1 | 42.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1725 | A | 24.7 | Very low | 24.5 | Very low | 89.2 Ų | 89.2 | 129.3 Ų | 129.3 | 74% | 0.737 | 80% | 0.796 | S | S | * | * | trans | -133.7 | 72.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | K1727 | A1725-K1727 VanDerWaalsContact C-N 3.31Å; A1725-K1727 PolarHBondContact O-N 3.38Å | ||
| 1726 | I | 25.6 | Very low | 24.4 | Very low | 167.2 Ų | 167.2 | 130.5 Ų | 130.5 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -122.2 | 81.5 | 167.8 | -51.4 | 176.7 | 0 | 0 | 0 | 112.4 | K1728 | I1726-K1728 HydrophobicContact CG2-CB 4.47Š| ||
| 1727 | K | 24.6 | Very low | 24.3 | Very low | 200.2 Ų | 200.2 | 131.3 Ų | 131.3 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -147 | 101.1 | 150.6 | -142.4 | -179.2 | 178.9 | 179.6 | 0 | 110.2 | A1725 | A1725-K1727 VanDerWaalsContact C-N 3.31Å; A1725-K1727 PolarHBondContact O-N 3.38Å | ||
| 1728 | K | 25.3 | Very low | 24.4 | Very low | 187.8 Ų | 187.8 | 129.7 Ų | 129.7 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 160.7 | 122.4 | 136.8 | -93.4 | -173.8 | 175.5 | -175.2 | 0 | 113.3 | I1726 | I1726-K1728 HydrophobicContact CG2-CB 4.47Š| ||
| 1729 | Q | 21.7 | Very low | 24.4 | Very low | 160.4 Ų | 160.4 | 132.6 Ų | 132.6 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -41.6 | 136.4 | 150.8 | -81.7 | 172.2 | -61.9 | 0 | 0 | 112.6 | ||||
| 1730 | Q | 23.3 | Very low | 24.4 | Very low | 153.6 Ų | 153.6 | 128.3 Ų | 128.3 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | 125.8 | 111.8 | 116 | -91.7 | 166.8 | -25.6 | 0 | 0 | 113.4 | |||||
| 1731 | Q | 20.9 | Very low | 24.9 | Very low | 155.6 Ų | 155.6 | 129.6 Ų | 129.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 73.8 | 125.6 | 102 | -102.9 | -179.8 | -20.7 | 0 | 0 | 118 | |||||
| 1732 | F | 22.8 | Very low | 24.9 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 82 | 125 | 145.6 | -81.2 | -74.1 | 0 | 0 | 0 | 119.4 | ||||
| 1733 | G | 23.7 | Very low | 24.9 | Very low | 68.6 Ų | 68.6 | 131.5 Ų | 131.5 | 71% | 0.707 | 80% | 0.797 | S | S | * | * | trans | 174.7 | 145 | 146.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1734 | P | 33.6 | Very low | 24.9 | Very low | 131.6 Ų | 131.6 | 130 Ų | 130 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -105.6 | 167.3 | -156.2 | 38.1 | -31.1 | 0 | 0 | 0 | 114.1 | ||||
| 1735 | A | 22.6 | Very low | 25.3 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -124.5 | 139.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1736 | L | 23.1 | Very low | 25.3 | Very low | 165.2 Ų | 165.2 | 131.8 Ų | 131.8 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -152.5 | 138.3 | 153.9 | -68.3 | 175.2 | 0 | 0 | 0 | 114.1 | ||||
| 1737 | S | 22.7 | Very low | 25.3 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 64.1 | 140.1 | 144.3 | 57.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1738 | G | 24.7 | Very low | 25.2 | Very low | 65.2 Ų | 65.2 | 125.3 Ų | 125.3 | 67% | 0.672 | 78% | 0.781 | S | S | * | * | trans | 126.9 | 89 | 151.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1739 | T | 25.7 | Very low | 25.1 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | 62.5 | 119.7 | 119 | 57.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1740 | G | 24 | Very low | 25.3 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 115.6 | 149.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1741 | P | 33.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -117.6 | 164.8 | -172.6 | 38.8 | -26.5 | 0 | 0 | 0 | 114.6 | ||||
| 1742 | S | 24 | Very low | 25.4 | Very low | 112.4 Ų | 112.4 | 117.2 Ų | 117.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 136.3 | 143.2 | 152.9 | 59.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1743 | S | 26.1 | Very low | 25.5 | Very low | 107.8 Ų | 107.8 | 111.8 Ų | 111.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 110.2 | 111.4 | 117 | 52.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 1744 | S | 24.3 | Very low | 25.6 | Very low | 111.2 Ų | 111.2 | 116.5 Ų | 116.5 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -36.3 | 175.4 | 133.5 | 18.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1745 | P | 34.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -137.5 | -175.4 | -42.6 | 39.7 | -22.1 | 0 | 0 | 0 | 114.1 | ||||
| 1746 | S | 25.3 | Very low | 25.5 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 119.5 | 117.9 | 155.1 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1747 | S | 24.3 | Very low | 25.8 | Very low | 103.6 Ų | 103.6 | 123.2 Ų | 123.2 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | 151.8 | 126.3 | 58.7 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1748 | T | 23 | Very low | 25.9 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 153.5 | 147.8 | 132.8 | 34 | 0 | 0 | 0 | 0 | 114 | ||||
| 1749 | S | 24 | Very low | 26.1 | Very low | 109.2 Ų | 109.2 | 131.6 Ų | 131.6 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | 107.5 | 115.3 | 138.4 | -65.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1750 | S | 24.2 | Very low | 26.3 | Very low | 114.8 Ų | 114.8 | 133.2 Ų | 133.2 | 80% | 0.803 | 80% | 0.796 | S | S | * | * | 149.6 | 140.4 | 109.8 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1751 | A | 24.4 | Very low | 26.4 | Very low | 88.4 Ų | 88.4 | 137 Ų | 137 | 73% | 0.731 | 80% | 0.798 | S | S | * | * | trans | 91.3 | 109.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1752 | L | 22.8 | Very low | 26.1 | Very low | 174.4 Ų | 174.4 | 138.4 Ų | 138.4 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | 155.9 | 120.4 | 132.6 | -72.4 | 172.1 | 0 | 0 | 0 | 113.4 | ||||
| 1753 | A | 25.4 | Very low | 26.5 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | 129.4 | 119.6 | 128.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1755 | A1753-Q1755 PolarHBondContact O-N 2.86Š| |||
| 1754 | L | 25.2 | Very low | 26.5 | Very low | 167.6 Ų | 167.6 | 139 Ų | 139 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 63.3 | 102.1 | 142.5 | -79.7 | 146.2 | 0 | 0 | 0 | 115 | ||||
| 1755 | Q | 26.7 | Very low | 26.5 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | 139.9 | 97.3 | 127.8 | -170.8 | 133.8 | 9.4 | 0 | 0 | 112.8 | A1753 | A1753-Q1755 PolarHBondContact O-N 2.86Š| |||
| 1756 | Q | 28.2 | Very low | 26.1 | Very low | 192.4 Ų | 192.4 | 142 Ų | 142 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | trans | -157.9 | 93.3 | 147.9 | -95.5 | -172.6 | 9.6 | 0 | 0 | 110.3 | ||||
| 1757 | H | 28.4 | Very low | 26.1 | Very low | 156.8 Ų | 156.8 | 140.9 Ų | 140.9 | 73% | 0.726 | 81% | 0.812 | S | S | * | * | trans | -154.7 | 96 | 148 | -165 | 71.8 | 0 | 0 | 0 | 111.3 | Q1759 | H1757-Q1759 PolarHBondContact NE2-OE1 2.95Š| ||
| 1758 | Q | 25.8 | Very low | 26.3 | Very low | 172.8 Ų | 172.8 | 146 Ų | 146 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -162.4 | 70 | 164.4 | -161.5 | 98.9 | 56.3 | 0 | 0 | 112.5 | ||||
| 1759 | Q | 28.1 | Very low | 26.4 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -155.8 | 65.9 | 162.6 | -131.4 | 165.4 | 8.9 | 0 | 0 | 113.3 | H1757 | H1757-Q1759 PolarHBondContact NE2-OE1 2.95Š| ||
| 1760 | Q | 30.7 | Very low | 26.7 | Very low | 180.2 Ų | 180.2 | 148.9 Ų | 148.9 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | -149.8 | 57.9 | 161.3 | -120.8 | 171.3 | -2.6 | 0 | 0 | 113 | ||||
| 1761 | L | 25.8 | Very low | 27.1 | Very low | 155.4 Ų | 155.4 | 149.2 Ų | 149.2 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -118 | 77.4 | 168.8 | -103.1 | 169.4 | 0 | 0 | 0 | 111.9 | ||
| 1762 | N | 27.3 | Very low | 27.3 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 173.5 | 56.5 | 162.7 | -83.1 | -1.2 | 0 | 0 | 0 | 114.8 | A1764 | N1762-A1764 VanDerWaalsContact C-N 3.33Å; N1762-A1764 PolarHBondContact O-N 3.18Å |
| 1763 | T | 30.8 | Very low | 27.5 | Very low | 140.4 Ų | 140.4 | 148.3 Ų | 148.3 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -123.2 | 63.7 | 162.2 | -28.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1764 | A | 26.5 | Very low | 27.6 | Very low | 93 Ų | 93 | 153.3 Ų | 153.3 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -130.2 | 56.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1762 | N1762-A1764 VanDerWaalsContact C-N 3.33Å; N1762-A1764 PolarHBondContact O-N 3.18Å | ||
| 1765 | M | 24.5 | Very low | 27.3 | Very low | 188.8 Ų | 188.8 | 150 Ų | 150 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -127.8 | 60 | 158.3 | -79.4 | -161.3 | -71.6 | 0 | 0 | 113.3 | A1767 | M1765-A1767 PolarHBondContact O-N 3.33Š|
| 1766 | A | 25.8 | Very low | 27.4 | Very low | 101.2 Ų | 101.2 | 149.7 Ų | 149.7 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -150.6 | 95 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1767 | A | 27 | Very low | 27 | Very low | 86.4 Ų | 86.4 | 148.4 Ų | 148.4 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | trans | -159.1 | 76.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | M1765 | M1765-A1767 PolarHBondContact O-N 3.33Š| ||
| 1768 | F | 27.6 | Very low | 26.7 | Very low | 211.2 Ų | 211.2 | 148.7 Ų | 148.7 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -153.1 | 93.2 | 149 | -85.8 | -76.3 | 0 | 0 | 0 | 112.4 | ||||
| 1769 | Q | 26 | Very low | 26.6 | Very low | 184.4 Ų | 184.4 | 148.7 Ų | 148.7 | 86% | 0.862 | 81% | 0.813 | S | S | * | * | trans | -112.5 | 131.7 | 154.8 | -151.2 | 172.8 | 8.5 | 0 | 0 | 111.8 | ||||
| 1770 | P | 30.2 | Very low | 26.1 | Very low | 112.8 Ų | 112.8 | 144.3 Ų | 144.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 150.3 | -174.4 | 12 | 2 | 0 | 0 | 0 | 112.3 | ||
| 1771 | P | 30.9 | Very low | 25.8 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 150.4 | 178.9 | 29.6 | -26.4 | 0 | 0 | 0 | 113.4 | ||
| 1772 | P | 30.3 | Very low | 25.7 | Very low | 118.8 Ų | 118.8 | 145.9 Ų | 145.9 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 160.8 | -177.1 | 28.2 | -24.3 | 0 | 0 | 0 | 113.7 | ||
| 1773 | P | 26.9 | Very low | 26 | Very low | 124.2 Ų | 124.2 | 143.6 Ų | 143.6 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 150.5 | -168.6 | 35.2 | -32.9 | 0 | 0 | 0 | 114.1 | ||
| 1774 | Q | 26.3 | Very low | 25.7 | Very low | 192.4 Ų | 192.4 | 145.9 Ų | 145.9 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -95.8 | 126.5 | 165.1 | -70.2 | 177.3 | -9.6 | 0 | 0 | 113.1 | ||||
| 1775 | S | 20.1 | Very low | 25.4 | Very low | 99.6 Ų | 99.6 | 147.5 Ų | 147.5 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | trans | -122.8 | 137.3 | 156.6 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1776 | H | 27.8 | Very low | 25.2 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | 132.4 | 116.4 | 159.8 | -76.1 | 26.3 | 0 | 0 | 0 | 111.7 | ||||
| 1777 | Q | 21.2 | Very low | 25 | Very low | 164.6 Ų | 164.6 | 149 Ų | 149 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | 87.2 | 116.5 | 50.7 | -136.3 | -177 | 31.3 | 0 | 0 | 113 | |||||
| 1778 | Q | 21.6 | Very low | 24.8 | Very low | 162.6 Ų | 162.6 | 151.7 Ų | 151.7 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | 96.7 | 134 | 145.9 | -84.5 | 165.2 | -5.8 | 0 | 0 | 115.2 | ||||
| 1779 | Q | 22.7 | Very low | 24.5 | Very low | 174.4 Ų | 174.4 | 148.7 Ų | 148.7 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | 153.3 | 137.7 | 109.9 | -94.4 | 164 | 8.8 | 0 | 0 | 112.7 | |||||
| 1780 | S | 18.7 | Very low | 24.4 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | -178.9 | 136.4 | 85 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1781 | H | 24.9 | Very low | 24.2 | Very low | 189.8 Ų | 189.8 | 147 Ų | 147 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | 158.9 | 124.5 | 145.6 | -80 | -53.4 | 0 | 0 | 0 | 115.7 | ||||
| 1782 | Q | 22.2 | Very low | 23.7 | Very low | 181.2 Ų | 181.2 | 148.3 Ų | 148.3 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | -115.8 | 174.9 | 142.9 | -127.4 | -174.2 | -0 | 0 | 0 | 111.3 | ||||
| 1783 | P | 34.6 | Very low | 23.4 | Very low | 103.6 Ų | 103.6 | 150.2 Ų | 150.2 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | -116.5 | 164.5 | -91.7 | 38.9 | -26.3 | 0 | 0 | 0 | 113.8 | |||||
| 1784 | Q | 23.4 | Very low | 23.2 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -136.7 | 124.4 | 154 | -87.3 | -178.4 | 6.1 | 0 | 0 | 112.9 | ||||
| 1785 | T | 21.4 | Very low | 23.1 | Very low | 126.6 Ų | 126.6 | 149.1 Ų | 149.1 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -172.6 | 124 | 134.1 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1786 | L | 20.6 | Very low | 23.3 | Very low | 159.6 Ų | 159.6 | 150 Ų | 150 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -146.2 | 137.5 | 156.3 | -100 | 137.5 | 0 | 0 | 0 | 109.7 | ||||
| 1787 | Q | 19.7 | Very low | 23 | Very low | 162.4 Ų | 162.4 | 148.3 Ų | 148.3 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | 133.3 | 128.1 | 59 | -132 | 175 | -1.4 | 0 | 0 | 112.3 | |||||
| 1788 | N | 23.1 | Very low | 23 | Very low | 144.2 Ų | 144.2 | 146.7 Ų | 146.7 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | 114 | 134 | 149.5 | -78.8 | -2.3 | 0 | 0 | 0 | 116.3 | ||||
| 1789 | I | 22.2 | Very low | 23 | Very low | 147.8 Ų | 147.8 | 144.5 Ų | 144.5 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | -158.1 | 134.3 | 77.9 | -89 | 165.9 | 0 | 0 | 0 | 111.1 | |||||
| 1790 | L | 22.8 | Very low | 22.8 | Very low | 149.6 Ų | 149.6 | 144.8 Ų | 144.8 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | 25.3 | 151.7 | 158.4 | -72 | 142.4 | 0 | 0 | 0 | 116.9 | I1792 | L1790-I1792 HydrophobicContact CD2-CD1 3.77Å; L1790-I1792 HydrophobicContact CD2-CG1 3.91Å | ||
| 1791 | P | 26.9 | Very low | 22.9 | Very low | 112.2 Ų | 112.2 | 145.2 Ų | 145.2 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | -143.7 | 157.3 | 74.4 | 37.7 | -17.1 | 0 | 0 | 0 | 118.2 | |||||
| 1792 | I | 20.7 | Very low | 22.8 | Very low | 147.8 Ų | 147.8 | 142.8 Ų | 142.8 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | 55.8 | 126 | 132.3 | -62.6 | 160.7 | 0 | 0 | 0 | 116 | L1790 | L1790-I1792 HydrophobicContact CD2-CD1 3.77Å; L1790-I1792 HydrophobicContact CD2-CG1 3.91Å | ||
| 1793 | H | 24.4 | Very low | 22.8 | Very low | 159.2 Ų | 159.2 | 141.3 Ų | 141.3 | 74% | 0.737 | 76% | 0.762 | S | S | * | * | trans | 168.8 | 127.7 | 139.2 | -146.6 | 56.4 | 0 | 0 | 0 | 114.3 | ||||
| 1794 | N | 22.6 | Very low | 22.3 | Very low | 126.8 Ų | 126.8 | 143.6 Ų | 143.6 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 136.2 | 146.1 | -82.3 | -8 | 0 | 0 | 0 | 118.3 | ||||
| 1795 | Q | 23.4 | Very low | 22.2 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -113.3 | 160.3 | 144.1 | -88.5 | 179.6 | -7.5 | 0 | 0 | 109.1 | ||||
| 1796 | P | 24.4 | Very low | 22.2 | Very low | 118.6 Ų | 118.6 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | -119.9 | 150.1 | 123 | 34.2 | -21.5 | 0 | 0 | 0 | 111.9 | |||||
| 1797 | N | 21.8 | Very low | 22.3 | Very low | 136.6 Ų | 136.6 | 136.5 Ų | 136.5 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | -168.9 | 123.4 | 112.7 | -149.3 | 6 | 0 | 0 | 0 | 110.9 | T1799 | N1797-T1799 VanDerWaalsContact C-N 3.29Å; N1797-T1799 WeakPolarHBondContact ND2-CG2 3.2Å; N1797-T1799 PolarHBondContact O-N 2.84Å | |||
| 1798 | V | 21.9 | Very low | 22.3 | Very low | 131.2 Ų | 131.2 | 132.1 Ų | 132.1 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | -82 | 104 | 147.3 | -175 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1799 | T | 20.7 | Very low | 22.3 | Very low | 115.4 Ų | 115.4 | 133.4 Ų | 133.4 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -137.4 | 126.1 | 145.9 | 20.6 | 0 | 0 | 0 | 0 | 111.9 | N1797 | N1797-T1799 VanDerWaalsContact C-N 3.29Å; N1797-T1799 WeakPolarHBondContact ND2-CG2 3.2Å; N1797-T1799 PolarHBondContact O-N 2.84Å | ||
| 1800 | Q | 19.1 | Very low | 22.2 | Very low | 181.8 Ų | 181.8 | 133.3 Ų | 133.3 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 77.4 | 131.4 | 140.6 | -93.4 | 175.1 | 19 | 0 | 0 | 113.7 | ||||
| 1801 | S | 21 | Very low | 22.2 | Very low | 100.8 Ų | 100.8 | 130.3 Ų | 130.3 | 71% | 0.705 | 77% | 0.766 | S | S | * | * | 139 | 121.3 | 115.3 | 63.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 1802 | N | 22.6 | Very low | 21.9 | Very low | 139.2 Ų | 139.2 | 131.4 Ų | 131.4 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | 179.4 | 123 | 101.1 | -88.3 | -11.4 | 0 | 0 | 0 | 110.5 | I1804 | N1802-I1804 PolarHBondContact O-N 2.97Å; N1802-I1804 VanDerWaalsContact O-N 3.09Å | |||
| 1803 | N | 22.2 | Very low | 22.1 | Very low | 148.2 Ų | 148.2 | 131.7 Ų | 131.7 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | -79.5 | 127 | 160.1 | -82.3 | -14.5 | 0 | 0 | 0 | 111.2 | T1805 | N1803-T1805 VanDerWaalsContact C-N 3.29Å; N1803-T1805 PolarHBondContact O-N 3.31Å; N1803-T1805 VanDerWaalsContact O-N 3.12Å | ||
| 1804 | I | 22.8 | Very low | 22 | Very low | 152.2 Ų | 152.2 | 130.3 Ų | 130.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 99.8 | 150.6 | -58.4 | 164.5 | 0 | 0 | 0 | 109.7 | N1802 S1806 | N1802-I1804 PolarHBondContact O-N 2.97Å; N1802-I1804 VanDerWaalsContact O-N 3.09Å; I1804-S1806 PolarHBondContact O-N 3.45Å; I1804-S1806 VanDerWaalsContact O-N 3.09Å | ||
| 1805 | T | 22.2 | Very low | 21.9 | Very low | 128.4 Ų | 128.4 | 127.7 Ų | 127.7 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -31.4 | 116.3 | 132.7 | 38.5 | 0 | 0 | 0 | 0 | 112.5 | N1803 G1807 | N1803-T1805 VanDerWaalsContact C-N 3.29Å; N1803-T1805 PolarHBondContact O-N 3.31Å; N1803-T1805 VanDerWaalsContact O-N 3.12Å; T1805-G1807 VanDerWaalsContact C-N 3.29Å; T1805-G1807 PolarHBondContact O-N 2.95Å | ||
| 1806 | S | 22 | Very low | 21.9 | Very low | 117.6 Ų | 117.6 | 123 Ų | 123 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -151.5 | 115.2 | 146.7 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | I1804 G1808 | I1804-S1806 PolarHBondContact O-N 3.45Å; I1804-S1806 VanDerWaalsContact O-N 3.09Å; S1806-G1808 PolarHBondContact O-N 2.94Å | ||
| 1807 | G | 21.4 | Very low | 21.8 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | 145 | 103.2 | 119 | 0 | 0 | 0 | 0 | 0 | 109.6 | T1805 L1809 | T1805-G1807 VanDerWaalsContact C-N 3.29Å; T1805-G1807 PolarHBondContact O-N 2.95Å; G1807-L1809 VanDerWaalsContact C-N 3.32Å; G1807-L1809 PolarHBondContact O-N 3.3Å | |||
| 1808 | G | 21.2 | Very low | 21.8 | Very low | 70.6 Ų | 70.6 | 121.9 Ų | 121.9 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | -171.8 | 113.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1806 N1810 | S1806-G1808 PolarHBondContact O-N 2.94Å; G1808-N1810 VanDerWaalsContact C-N 3.34Å; G1808-N1810 PolarHBondContact O-N 3.37Å; G1808-N1810 VanDerWaalsContact O-N 3.14Å | ||
| 1809 | L | 21.7 | Very low | 21.9 | Very low | 172.4 Ų | 172.4 | 122 Ų | 122 | 90% | 0.903 | 77% | 0.767 | S | S | * | * | trans | -86 | 119.7 | 166.2 | -68.7 | 172.9 | 0 | 0 | 0 | 113.3 | G1807 A1811 | G1807-L1809 VanDerWaalsContact C-N 3.32Å; G1807-L1809 PolarHBondContact O-N 3.3Å; L1809-A1811 PolarHBondContact O-N 3.21Å | ||
| 1810 | N | 21 | Very low | 22.2 | Very low | 145.4 Ų | 145.4 | 124.3 Ų | 124.3 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | trans | -35.6 | 111.8 | 158.5 | -90.8 | 0.4 | 0 | 0 | 0 | 113.8 | G1808 D1812 G1855 | G1808-N1810 VanDerWaalsContact C-N 3.34Å; G1808-N1810 PolarHBondContact O-N 3.37Å; G1808-N1810 VanDerWaalsContact O-N 3.14Å; N1810-D1812 VanDerWaalsContact C-N 3.28Å; N1810-D1812 PolarHBondContact O-N 2.63Å; N1810-G1855 PolarHBondContact ND2-O 3.28Å | ||
| 1811 | A | 23 | Very low | 22.5 | Very low | 85.2 Ų | 85.2 | 122.2 Ų | 122.2 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | trans | -127.5 | 113 | 150.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1809 L1813 | L1809-A1811 PolarHBondContact O-N 3.21Å; A1811-L1813 PolarHBondContact O-N 3.03Å; A1811-L1813 VanDerWaalsContact O-N 3.09Å | ||
| 1812 | D | 20.8 | Very low | 23.2 | Very low | 136.6 Ų | 136.6 | 120.5 Ų | 120.5 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -45.3 | 113.9 | 164.1 | -132.4 | -18.1 | 0 | 0 | 0 | 113.3 | N1810 T1814 T1857 | N1810-D1812 VanDerWaalsContact C-N 3.28Å; N1810-D1812 PolarHBondContact O-N 2.63Å; D1812-T1814 WeakPolarHBondContact CB-OG1 3.27Å; D1812-T1814 PolarHBondContact O-N 3.42Å; D1812-T1814 PolarHBondContact OD1-OG1 2.83Å; D1812-T1857 WeakPolarHBondContact OD1-CB 3.39Å; D1812-T1857 PolarHBondContact OD1-OG1 3.38Å; D1812-T1857 PolarHBondContact OD2-OG1 3.28Å | ||
| 1813 | L | 24.1 | Very low | 24.3 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -106.7 | 83.1 | 173.6 | -80.4 | 166.4 | 0 | 0 | 0 | 110.1 | A1811 G1815 N1858 | A1811-L1813 PolarHBondContact O-N 3.03Å; A1811-L1813 VanDerWaalsContact O-N 3.09Å; L1813-G1815 VanDerWaalsContact C-N 3.29Å; L1813-G1815 PolarHBondContact O-N 3Å; L1813-N1858 VanDerWaalsContact CB-ND2 3.26Å; L1813-N1858 WeakPolarHBondContact CB-ND2 3.31Å; L1813-N1858 HydrophobicContact CD1-CB 3.93Å; L1813-N1858 PolarHBondContact O-ND2 3.26Å | ||
| 1814 | T | 21.6 | Very low | 26.2 | Very low | 129.6 Ų | 129.6 | 117.7 Ų | 117.7 | 80% | 0.795 | 75% | 0.745 | S | S | * | * | trans | -87.4 | 97.2 | 165.5 | 49.5 | 0 | 0 | 0 | 0 | 110.6 | D1812 G1816 | D1812-T1814 WeakPolarHBondContact CB-OG1 3.27Å; D1812-T1814 PolarHBondContact O-N 3.42Å; D1812-T1814 PolarHBondContact OD1-OG1 2.83Å; T1814-G1816 PolarHBondContact O-N 3.1Å | ||
| 1815 | G | 21.7 | Very low | 28.8 | Very low | 71.8 Ų | 71.8 | 112.4 Ų | 112.4 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | trans | -110.3 | 92 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1553 L1813 S1817 | L1553-G1815 VanDerWaalsContact CD2-O 3.28Å; L1553-G1815 WeakPolarHBondContact CD2-O 3.47Å; L1813-G1815 VanDerWaalsContact C-N 3.29Å; L1813-G1815 PolarHBondContact O-N 3Å; G1815-S1817 PolarHBondContact O-N 3.32Å | ||
| 1816 | G | 21.9 | Very low | 31.6 | Very low | 68.4 Ų | 68.4 | 110.6 Ų | 110.6 | 71% | 0.705 | 70% | 0.697 | S | S | * | * | trans | 16.4 | 110.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1814 T1818 | T1814-G1816 PolarHBondContact O-N 3.1Å; G1816-T1818 PolarHBondContact O-N 3.36Å | ||
| 1817 | S | 22.2 | Very low | 34.7 | Very low | 111.4 Ų | 111.4 | 105.8 Ų | 105.8 | 78% | 0.779 | 66% | 0.661 | S | S | * | * | trans | -94.4 | 81.7 | 159.5 | -132.2 | 0 | 0 | 0 | 0 | 112.7 | G1815 L1819 E1843 | G1815-S1817 PolarHBondContact O-N 3.32Å; S1817-L1819 PolarHBondContact O-N 3.11Å; S1817-E1843 VanDerWaalsContact CA-OE1 3.31Å; S1817-E1843 WeakPolarHBondContact CA-OE1 3.42Å; S1817-E1843 VanDerWaalsContact CB-OE1 3.22Å; S1817-E1843 WeakPolarHBondContact CB-OE1 3.41Å; S1817-E1843 PolarHBondContact OG-OE1 3.49Å | ||
| 1818 | T | 22.8 | Very low | 37.6 | Very low | 120 Ų | 120 | 108.2 Ų | 108.2 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | trans | -95.4 | 89.9 | 172.6 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | G1816 F1820 | G1816-T1818 PolarHBondContact O-N 3.36Å; T1818-F1820 WeakPolarHBondContact O-CD2 3.49Å; T1818-F1820 WeakPolarHBondContact O-CE2 3.11Å; T1818-F1820 PolarHBondContact O-N 3.1Å; T1818-F1820 WeakPolarHBondContact OG1-CE2 3.08Å; T1818-F1820 WeakPolarHBondContact OG1-CZ 3.38Å | ||
| 1819 | L | 23.7 | Very low | 40.5 | Very low | 134.8 Ų | 134.8 | 109.3 Ų | 109.3 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | trans | -109.8 | 100.5 | 167.5 | -106.7 | 131.7 | 0 | 0 | 0 | 111.3 | S1817 T1821 | S1817-L1819 PolarHBondContact O-N 3.11Å; L1819-T1821 VanDerWaalsContact C-N 3.31Å; L1819-T1821 PolarHBondContact O-N 3.38Å; L1819-T1821 VanDerWaalsContact O-N 3.14Å | ||
| 1820 | F | 26.7 | Very low | 43.6 | Very low | 163.4 Ų | 163.4 | 101.2 Ų | 101.2 | 72% | 0.717 | 60% | 0.598 | S | S | * | * | trans | -49 | 68.1 | 169.5 | -73.5 | -76 | 0 | 0 | 0 | 114.6 | T1818 G1822 G1983 K1984 | T1818-F1820 WeakPolarHBondContact O-CD2 3.49Å; T1818-F1820 WeakPolarHBondContact O-CE2 3.11Å; T1818-F1820 PolarHBondContact O-N 3.1Å; T1818-F1820 WeakPolarHBondContact OG1-CE2 3.08Å; T1818-F1820 WeakPolarHBondContact OG1-CZ 3.38Å; F1820-G1822 PolarHBondContact O-N 3.34Å; F1820-G1983 WeakPolarHBondContact CE1-O 3.46Å; F1820-G1983 VanDerWaalsContact CZ-C 3.41Å; F1820-G1983 WeakPolarHBondContact CZ-O 3.25Å; F1820-K1984 HydrophobicContact CZ-CD 4.19Å | ||
| 1821 | T | 26.6 | Very low | 46.6 | Very low | 136.4 Ų | 136.4 | 97.4 Ų | 97.4 | 84% | 0.837 | 58% | 0.578 | S | S | * | * | trans | -81.6 | 103.7 | 157.3 | 9.7 | 0 | 0 | 0 | 0 | 109.3 | L1819 H1823 | L1819-T1821 VanDerWaalsContact C-N 3.31Å; L1819-T1821 PolarHBondContact O-N 3.38Å; L1819-T1821 VanDerWaalsContact O-N 3.14Å; T1821-H1823 VanDerWaalsContact C-N 3.29Å; T1821-H1823 PolarHBondContact O-N 3.13Å; T1821-H1823 VanDerWaalsContact O-N 3.14Å | ||
| 1822 | G | 35 | Very low | 49.6 | Very low | 65.4 Ų | 65.4 | 96.5 Ų | 96.5 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | trans | -84.2 | 94.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F1820 L1824 | F1820-G1822 PolarHBondContact O-N 3.34Å; G1822-L1824 VanDerWaalsContact C-N 3.31Å; G1822-L1824 PolarHBondContact O-N 3.13Å; G1822-L1824 VanDerWaalsContact O-N 3.09Å | ||
| 1823 | H | 46.2 | Very low | 52.5 | Low | 157.6 Ų | 157.6 | 99.1 Ų | 99.1 | 73% | 0.73 | 56% | 0.56 | S | S | * | * | trans | -57.5 | 98.8 | 174 | -164.7 | -35.3 | 0 | 0 | 0 | 110 | T1821 L1825 | T1821-H1823 VanDerWaalsContact C-N 3.29Å; T1821-H1823 PolarHBondContact O-N 3.13Å; T1821-H1823 VanDerWaalsContact O-N 3.14Å; H1823-L1825 PolarHBondContact O-N 3.14Å; H1823-L1825 VanDerWaalsContact O-N 3.12Å | ||
| 1824 | L | 61 | Low | 55.2 | Low | 72.4 Ų | 72.4 | 93.4 Ų | 93.4 | 38% | 0.379 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 124.9 | 175.3 | -114.4 | 148.9 | 0 | 0 | 0 | 108.1 | G1822 R1826 H1987 G2067 F2068 A2069 | G1822-L1824 VanDerWaalsContact C-N 3.31Å; G1822-L1824 PolarHBondContact O-N 3.13Å; G1822-L1824 VanDerWaalsContact O-N 3.09Å; L1824-R1826 PolarHBondContact O-N 3.28Å; L1824-H1987 WeakPolarHBondContact CD1-NE2 3.24Å; L1824-G2067 VanDerWaalsContact CD2-O 3.3Å; L1824-G2067 WeakPolarHBondContact CD2-O 3.38Å; L1824-F2068 WeakPolarHBondContact CD2-O 3.41Å; L1824-A2069 HydrophobicContact CB-CB 4.2Å; L1824-A2069 HydrophobicContact CD2-CB 4.27Å; L1824-A2069 VanDerWaalsContact O-CB 3.23Å; L1824-A2069 WeakPolarHBondContact O-CB 3.37Å |
| 1825 | L | 77.8 | Confident | 58 | Low | 40.6 Ų | 40.6 | 87.3 Ų | 87.3 | 21% | 0.213 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 140.8 | -178.9 | -64.5 | 167.2 | 0 | 0 | 0 | 109.1 | H1823 V1830 V1988 A1991 F2068 A2069 | H1823-L1825 PolarHBondContact O-N 3.14Å; H1823-L1825 VanDerWaalsContact O-N 3.12Å; L1825-V1830 HydrophobicContact CB-CG2 3.7Å; L1825-V1830 HydrophobicContact CD1-CG2 3.91Å; L1825-V1830 HydrophobicContact CG-CG2 4.31Å; L1825-V1988 HydrophobicContact CD1-CB 4.4Å; L1825-V1988 HydrophobicContact CD1-CG1 4.25Å; L1825-V1988 HydrophobicContact CD1-CG2 4.18Å; L1825-A1991 HydrophobicContact CD1-CB 4.13Å; L1825-F2068 WeakPolarHBondContact O-CA 3.41Å; L1825-F2068 WeakPolarHBondContact O-CB 3.4Å; L1825-F2068 WeakPolarHBondContact O-CD1 3.42Å; L1825-A2069 PolarHBondContact O-N 3.38Å |
| 1826 | R | 80.3 | Confident | 60.8 | Low | 89.6 Ų | 89.6 | 90 Ų | 90 | 34% | 0.338 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 144.5 | 169.1 | -62.8 | -164.2 | 144.5 | 151.2 | -0.6 | 109.2 | L1824 E1828 D1829 V1830 A2069 P2070 S2072 | L1824-R1826 PolarHBondContact O-N 3.28Å; R1826-E1828 VanDerWaalsContact C-N 3.26Å; R1826-E1828 HydrophobicContact CB-CG 4.21Å; R1826-E1828 VanDerWaalsContact CB-OE1 3.31Å; R1826-E1828 WeakPolarHBondContact CB-OE1 3.42Å; R1826-E1828 WeakPolarHBondContact CD-OE1 3.34Å; R1826-E1828 IonicContact NH1-OE1 3.02Å; R1826-E1828 PolarHBondContact NH1-OE1 3.33Å; R1826-E1828 PolarHBondContact O-N 3.14Å; R1826-E1828 VanDerWaalsContact O-N 3.16Å; R1826-D1829 HydrophobicContact CB-CB 4.33Å; R1826-D1829 VanDerWaalsContact CB-OD2 3.26Å; R1826-D1829 WeakPolarHBondContact CB-OD2 3.37Å; R1826-D1829 WeakPolarHBondContact CD-OD2 3.32Å; R1826-D1829 VanDerWaalsContact CG-OD2 3.23Å; R1826-D1829 WeakPolarHBondContact CG-OD2 3.35Å; R1826-D1829 PolarHBondContact O-N 3.33Å; R1826-D1829 VanDerWaalsContact O-N 3.13Å; R1826-V1830 WeakPolarHBondContact O-CG2 3.19Å; R1826-V1830 PolarHBondContact O-N 2.94Å; R1826-A2069 HydrophobicContact CG-CB 4.13Å; R1826-P2070 VanDerWaalsContact CZ-O 3.27Å; R1826-P2070 PolarHBondContact NE-O 3.47Å; R1826-P2070 PolarHBondContact NH2-O 3.05Å; R1826-S2072 PolarHBondContact NH1-OG 3.28Å; R1826-S2072 PolarHBondContact NH2-OG 2.86Å |
| 1827 | Y | 87.3 | Confident | 63.3 | Low | 18.2 Ų | 18.2 | 90 Ų | 90 | 7% | 0.071 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -37.8 | -179 | -175.3 | -93.8 | 0 | 0 | 0 | 112.2 | K1995 A1998 E1999 I2065 F2068 | Y1827-K1995 HydrophobicContact CE1-CD 4.4Å; Y1827-K1995 HydrophobicContact CE1-CG 4.31Å; Y1827-K1995 HydrophobicContact CE2-CB 4.13Å; Y1827-K1995 HydrophobicContact CE2-CD 4.42Å; Y1827-K1995 HydrophobicContact CE2-CG 4.05Å; Y1827-K1995 VanDerWaalsContact O-CD 3.29Å; Y1827-K1995 WeakPolarHBondContact O-CD 3.38Å; Y1827-K1995 VanDerWaalsContact O-CE 3.28Å; Y1827-K1995 WeakPolarHBondContact O-CE 3.36Å; Y1827-K1995 PolarHBondContact O-NZ 3.3Å; Y1827-A1998 HydrophobicContact CE2-CB 4.42Å; Y1827-A1998 WeakPolarHBondContact OH-CB 3.4Å; Y1827-E1999 VanDerWaalsContact CE1-OE1 3.31Å; Y1827-E1999 WeakPolarHBondContact CE1-OE1 3.38Å; Y1827-E1999 VanDerWaalsContact CZ-OE1 3.31Å; Y1827-E1999 PolarHBondContact OH-OE1 3.09Å; Y1827-I2065 HydrophobicContact CD1-CD1 3.8Å; Y1827-I2065 HydrophobicContact CD2-CB 4.28Å; Y1827-I2065 HydrophobicContact CD2-CD1 3.56Å; Y1827-I2065 HydrophobicContact CD2-CG1 4.49Å; Y1827-I2065 HydrophobicContact CD2-CG2 3.83Å; Y1827-I2065 HydrophobicContact CE1-CD1 4.14Å; Y1827-I2065 HydrophobicContact CE2-CD1 3.9Å; Y1827-I2065 HydrophobicContact CE2-CG2 4.05Å; Y1827-I2065 HydrophobicContact CG-CD1 3.49Å; Y1827-I2065 VanDerWaalsContact CG-CD1 3.43Å; Y1827-F2068 VanDerWaalsContact CA-CD1 3.44Å; Y1827-F2068 AromaticContact CD2-CD1 3.99Å; Y1827-F2068 HydrophobicContact CD2-CD1 4.04Å; Y1827-F2068 AromaticContact CD2-CD2 3.77Å; Y1827-F2068 HydrophobicContact CD2-CD2 3.77Å; Y1827-F2068 AromaticContact CD2-CE1 3.92Å; Y1827-F2068 HydrophobicContact CD2-CE1 3.92Å; Y1827-F2068 AromaticContact CD2-CE2 3.68Å; Y1827-F2068 HydrophobicContact CD2-CE2 3.68Å; Y1827-F2068 AromaticContact CD2-CG 3.9Å; Y1827-F2068 HydrophobicContact CD2-CG 3.93Å; Y1827-F2068 AromaticContact CD2-CZ 3.73Å; Y1827-F2068 HydrophobicContact CD2-CZ 3.73Å; Y1827-F2068 HydrophobicContact CE2-CD2 4.48Å; Y1827-F2068 HydrophobicContact CE2-CE2 4.14Å; Y1827-F2068 HydrophobicContact CE2-CZ 4.2Å; Y1827-F2068 HydrophobicContact CG-CD1 4.44Å; Y1827-F2068 HydrophobicContact CG-CG 4.46Å |
| 1828 | E | 83.2 | Confident | 65.9 | Low | 127.8 Ų | 127.8 | 86.2 Ų | 86.2 | 60% | 0.597 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -38 | 178.9 | 16.1 | 157.9 | -166.3 | 0 | 0 | 113.3 | R1826 V1830 K1995 S2071 | R1826-E1828 VanDerWaalsContact C-N 3.26Å; R1826-E1828 HydrophobicContact CB-CG 4.21Å; R1826-E1828 VanDerWaalsContact CB-OE1 3.31Å; R1826-E1828 WeakPolarHBondContact CB-OE1 3.42Å; R1826-E1828 WeakPolarHBondContact CD-OE1 3.34Å; R1826-E1828 IonicContact NH1-OE1 3.02Å; R1826-E1828 PolarHBondContact NH1-OE1 3.33Å; R1826-E1828 PolarHBondContact O-N 3.14Å; R1826-E1828 VanDerWaalsContact O-N 3.16Å; E1828-V1830 VanDerWaalsContact C-N 3.31Å; E1828-V1830 PolarHBondContact O-N 3.28Å; E1828-K1995 VanDerWaalsContact C-NZ 3.34Å; E1828-K1995 PolarHBondContact O-NZ 3.07Å; E1828-S2071 WeakPolarHBondContact OE1-CB 3.2Å; E1828-S2071 PolarHBondContact OE1-OG 3.05Å |
| 1829 | D | 82.3 | Confident | 68.6 | Low | 95.2 Ų | 95.2 | 81.5 Ų | 81.5 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.1 | -174.4 | -68.4 | -33.4 | 0 | 0 | 0 | 113.7 | R1826 N1831 S1834 | R1826-D1829 HydrophobicContact CB-CB 4.33Å; R1826-D1829 VanDerWaalsContact CB-OD2 3.26Å; R1826-D1829 WeakPolarHBondContact CB-OD2 3.37Å; R1826-D1829 WeakPolarHBondContact CD-OD2 3.32Å; R1826-D1829 VanDerWaalsContact CG-OD2 3.23Å; R1826-D1829 WeakPolarHBondContact CG-OD2 3.35Å; R1826-D1829 PolarHBondContact O-N 3.33Å; R1826-D1829 VanDerWaalsContact O-N 3.13Å; D1829-N1831 PolarHBondContact O-N 3.07Å; D1829-N1831 PolarHBondContact O-ND2 2.75Å; D1829-S1834 PolarHBondContact O-OG 3.45Å |
| 1830 | V | 86.8 | Confident | 70.8 | Confident | 1.6 Ų | 1.6 | 79.2 Ų | 79.2 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | trans | -71.3 | 117.6 | -177.4 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | L1825 R1826 E1828 A1991 Y1992 K1995 F2068 | L1825-V1830 HydrophobicContact CB-CG2 3.7Å; L1825-V1830 HydrophobicContact CD1-CG2 3.91Å; L1825-V1830 HydrophobicContact CG-CG2 4.31Å; R1826-V1830 WeakPolarHBondContact O-CG2 3.19Å; R1826-V1830 PolarHBondContact O-N 2.94Å; E1828-V1830 VanDerWaalsContact C-N 3.31Å; E1828-V1830 PolarHBondContact O-N 3.28Å; V1830-A1991 HydrophobicContact CG1-CB 4.3Å; V1830-A1991 HydrophobicContact CG2-CB 4.16Å; V1830-Y1992 VanDerWaalsContact CG1-CA 3.49Å; V1830-Y1992 HydrophobicContact CG1-CD2 4.33Å; V1830-K1995 HydrophobicContact CB-CD 4.02Å; V1830-K1995 HydrophobicContact CG1-CB 4.28Å; V1830-K1995 HydrophobicContact CG1-CD 4.33Å; V1830-K1995 VanDerWaalsContact O-CD 3.24Å; V1830-K1995 WeakPolarHBondContact O-CD 3.39Å; V1830-K1995 WeakPolarHBondContact O-CE 3.38Å; V1830-K1995 PolarHBondContact O-NZ 3.19Å; V1830-F2068 HydrophobicContact CB-CE1 4.43Å; V1830-F2068 HydrophobicContact CG2-CD1 4.38Å; V1830-F2068 HydrophobicContact CG2-CE1 3.88Å | ||
| 1831 | N | 84 | Confident | 72.7 | Confident | 66.4 Ų | 66.4 | 72.1 Ų | 72.1 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -140.4 | 165.2 | 175 | 157.4 | 16.2 | 0 | 0 | 0 | 110.4 | D1829 R1833 S1834 | D1829-N1831 PolarHBondContact O-N 3.07Å; D1829-N1831 PolarHBondContact O-ND2 2.75Å; N1831-R1833 PolarHBondContact O-N 3.28Å; N1831-R1833 VanDerWaalsContact O-N 3.11Å; N1831-R1833 VanDerWaalsContact OD1-CB 3.27Å; N1831-R1833 WeakPolarHBondContact OD1-CB 3.42Å; N1831-R1833 WeakPolarHBondContact OD1-CG 3.22Å; N1831-R1833 PolarHBondContact OD1-N 2.98Å; N1831-R1833 PolarHBondContact OD1-NE 3.18Å; N1831-S1834 PolarHBondContact N-OG 3.1Å; N1831-S1834 WeakPolarHBondContact O-CA 3.06Å; N1831-S1834 VanDerWaalsContact O-CB 3.25Å; N1831-S1834 WeakPolarHBondContact O-CB 3.49Å; N1831-S1834 PolarHBondContact O-N 3.31Å; N1831-S1834 PolarHBondContact O-OG 3Å |
| 1832 | I | 84.8 | Confident | 74.5 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 34% | 0.338 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61 | -22.5 | -179.6 | -173.3 | 165.9 | 0 | 0 | 0 | 113.2 | S1834 I1835 R1836 L1884 Y1992 K1995 E1999 | I1832-S1834 VanDerWaalsContact C-N 3.31Å; I1832-S1834 PolarHBondContact O-N 3.3Å; I1832-I1835 PolarHBondContact O-N 3.06Å; I1832-R1836 PolarHBondContact O-N 3.33Å; I1832-L1884 HydrophobicContact CD1-CD1 4.27Å; I1832-L1884 HydrophobicContact CD1-CD2 4Å; I1832-L1884 HydrophobicContact CG1-CD2 3.94Å; I1832-Y1992 HydrophobicContact CB-CE2 4.11Å; I1832-Y1992 PolarHBondContact O-OH 2.97Å; I1832-K1995 HydrophobicContact CG2-CB 3.99Å; I1832-K1995 HydrophobicContact CG2-CD 3.94Å; I1832-K1995 HydrophobicContact CG2-CG 3.63Å; I1832-E1999 HydrophobicContact CD1-CB 4.23Å; I1832-E1999 HydrophobicContact CD1-CG 4.35Å |
| 1833 | R | 82.5 | Confident | 75.7 | Confident | 191.2 Ų | 191.2 | 71.7 Ų | 71.7 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.6 | -30.6 | 174.2 | -61.1 | 179.7 | -132.7 | 166.8 | 0.9 | 112.8 | N1831 R1836 A1837 | N1831-R1833 PolarHBondContact O-N 3.28Å; N1831-R1833 VanDerWaalsContact O-N 3.11Å; N1831-R1833 VanDerWaalsContact OD1-CB 3.27Å; N1831-R1833 WeakPolarHBondContact OD1-CB 3.42Å; N1831-R1833 WeakPolarHBondContact OD1-CG 3.22Å; N1831-R1833 PolarHBondContact OD1-N 2.98Å; N1831-R1833 PolarHBondContact OD1-NE 3.18Å; R1833-R1836 PolarHBondContact O-N 3.17Å; R1833-A1837 WeakPolarHBondContact O-CB 3.31Å; R1833-A1837 PolarHBondContact O-N 2.83Å |
| 1834 | S | 80.9 | Confident | 76.2 | Confident | 33.8 Ų | 33.8 | 65.2 Ų | 65.2 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -83.2 | -27.9 | 178.7 | 24.6 | 0 | 0 | 0 | 0 | 111.2 | D1829 N1831 I1832 R1836 A1837 C1838 | D1829-S1834 PolarHBondContact O-OG 3.45Å; N1831-S1834 PolarHBondContact N-OG 3.1Å; N1831-S1834 WeakPolarHBondContact O-CA 3.06Å; N1831-S1834 VanDerWaalsContact O-CB 3.25Å; N1831-S1834 WeakPolarHBondContact O-CB 3.49Å; N1831-S1834 PolarHBondContact O-N 3.31Å; N1831-S1834 PolarHBondContact O-OG 3Å; I1832-S1834 VanDerWaalsContact C-N 3.31Å; I1832-S1834 PolarHBondContact O-N 3.3Å; S1834-R1836 PolarHBondContact O-N 3.31Å; S1834-R1836 WeakPolarHBondContact OG-CB 3.22Å; S1834-R1836 PolarHBondContact OG-N 3.13Å; S1834-A1837 PolarHBondContact O-N 3.08Å; S1834-C1838 WeakPolarHBondContact O-CB 3.33Å; S1834-C1838 PolarHBondContact O-N 3.34Å; S1834-C1838 VanDerWaalsContact O-N 3.1Å |
| 1835 | I | 81.1 | Confident | 76 | Confident | 1.2 Ų | 1.2 | 64.2 Ų | 64.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 171.6 | -76.6 | 168.7 | 0 | 0 | 0 | 110.4 | I1832 A1837 C1838 L1839 V1883 L1884 I1887 V1988 Y1992 | I1832-I1835 PolarHBondContact O-N 3.06Å; I1835-A1837 VanDerWaalsContact C-N 3.32Å; I1835-A1837 PolarHBondContact O-N 3.17Å; I1835-C1838 PolarHBondContact O-N 2.96Å; I1835-C1838 VanDerWaalsContact O-N 3.17Å; I1835-C1838 PolarHBondContact O-SG 3.08Å; I1835-L1839 HydrophobicContact CB-CD1 4.4Å; I1835-L1839 HydrophobicContact CD1-CD1 3.68Å; I1835-L1839 HydrophobicContact CD1-CG 4.39Å; I1835-L1839 HydrophobicContact CG1-CD1 3.67Å; I1835-L1839 HydrophobicContact CG1-CG 4.03Å; I1835-L1839 HydrophobicContact CG2-CD1 3.81Å; I1835-L1839 HydrophobicContact CG2-CG 4.4Å; I1835-L1839 VanDerWaalsContact O-CG 3.31Å; I1835-L1839 WeakPolarHBondContact O-CG 3.3Å; I1835-L1839 PolarHBondContact O-N 3.34Å; I1835-L1839 VanDerWaalsContact O-N 3.15Å; I1835-V1883 HydrophobicContact CD1-CG1 4.42Å; I1835-V1883 HydrophobicContact CG2-CG1 4.15Å; I1835-L1884 HydrophobicContact CB-CD2 3.99Å; I1835-L1884 HydrophobicContact CD1-CD2 4.14Å; I1835-L1884 HydrophobicContact CG2-CD1 4.09Å; I1835-L1884 HydrophobicContact CG2-CD2 4.14Å; I1835-L1884 HydrophobicContact CG2-CG 3.68Å; I1835-I1887 HydrophobicContact CD1-CD1 3.65Å; I1835-V1988 HydrophobicContact CG1-CG1 4.19Å; I1835-Y1992 HydrophobicContact CB-CD2 4.06Å; I1835-Y1992 HydrophobicContact CB-CE2 4.01Å; I1835-Y1992 HydrophobicContact CD1-CD1 3.75Å; I1835-Y1992 HydrophobicContact CD1-CD2 4.02Å; I1835-Y1992 HydrophobicContact CD1-CE1 4.22Å; I1835-Y1992 HydrophobicContact CD1-CE2 4.46Å; I1835-Y1992 HydrophobicContact CD1-CG 3.58Å; I1835-Y1992 VanDerWaalsContact CD1-CG 3.48Å; I1835-Y1992 HydrophobicContact CG1-CD2 3.9Å; I1835-Y1992 HydrophobicContact CG1-CE2 4.36Å; I1835-Y1992 HydrophobicContact CG1-CG 4.28Å |
| 1836 | R | 78.9 | Confident | 75 | Confident | 128.8 Ų | 128.8 | 66.2 Ų | 66.2 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -39 | 179.9 | -173.6 | 175.8 | -66.5 | 137.9 | 4.6 | 112.4 | I1832 R1833 S1834 C1838 L1839 N1840 E1880 | I1832-R1836 PolarHBondContact O-N 3.33Å; R1833-R1836 PolarHBondContact O-N 3.17Å; S1834-R1836 PolarHBondContact O-N 3.31Å; S1834-R1836 WeakPolarHBondContact OG-CB 3.22Å; S1834-R1836 PolarHBondContact OG-N 3.13Å; R1836-C1838 PolarHBondContact O-N 3.46Å; R1836-L1839 PolarHBondContact O-N 3.21Å; R1836-N1840 PolarHBondContact O-N 3.18Å; R1836-E1880 WeakPolarHBondContact CB-OE1 3.45Å; R1836-E1880 WeakPolarHBondContact CG-OE2 3.44Å; R1836-E1880 IonicContact CZ-OE1 3.13Å; R1836-E1880 VanDerWaalsContact CZ-OE1 3.24Å; R1836-E1880 IonicContact CZ-OE2 3.45Å; R1836-E1880 VanDerWaalsContact NE-CD 3.33Å; R1836-E1880 IonicContact NE-OE1 3.46Å; R1836-E1880 PolarHBondContact NE-OE1 3.27Å; R1836-E1880 IonicContact NE-OE2 3.19Å; R1836-E1880 PolarHBondContact NE-OE2 2.97Å; R1836-E1880 IonicContact NH2-OE1 3.08Å; R1836-E1880 PolarHBondContact NH2-OE1 2.9Å; R1836-E1880 IonicContact NH2-OE2 3.51Å; R1836-E1880 PolarHBondContact NH2-OE2 3.45Å |
| 1837 | A | 76 | Confident | 73.4 | Confident | 67.4 Ų | 67.4 | 65.2 Ų | 65.2 | 56% | 0.557 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R1833 S1834 I1835 L1839 N1840 | R1833-A1837 WeakPolarHBondContact O-CB 3.31Å; R1833-A1837 PolarHBondContact O-N 2.83Å; S1834-A1837 PolarHBondContact O-N 3.08Å; I1835-A1837 VanDerWaalsContact C-N 3.32Å; I1835-A1837 PolarHBondContact O-N 3.17Å; A1837-L1839 VanDerWaalsContact C-N 3.28Å; A1837-L1839 PolarHBondContact O-N 2.87Å; A1837-N1840 WeakPolarHBondContact O-CB 3.3Å; A1837-N1840 PolarHBondContact O-N 2.92Å; A1837-N1840 VanDerWaalsContact O-N 3.12Å |
| 1838 | C | 75.8 | Confident | 71.6 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -76.1 | -23.2 | 179.8 | 134 | 0 | 0 | 0 | 0 | 113.6 | S1834 I1835 R1836 N1840 K1984 V1988 | S1834-C1838 WeakPolarHBondContact O-CB 3.33Å; S1834-C1838 PolarHBondContact O-N 3.34Å; S1834-C1838 VanDerWaalsContact O-N 3.1Å; I1835-C1838 PolarHBondContact O-N 2.96Å; I1835-C1838 VanDerWaalsContact O-N 3.17Å; I1835-C1838 PolarHBondContact O-SG 3.08Å; R1836-C1838 PolarHBondContact O-N 3.46Å; C1838-N1840 VanDerWaalsContact C-N 3.35Å; C1838-N1840 PolarHBondContact O-N 3.39Å; C1838-K1984 PolarHBondContact SG-O 3.26Å; C1838-K1984 VanDerWaalsContact SG-O 3.39Å; C1838-V1988 HydrophobicContact CB-CB 4.37Å; C1838-V1988 HydrophobicContact CB-CG1 3.87Å; C1838-V1988 HydrophobicContact CB-CG2 3.94Å |
| 1839 | L | 78.8 | Confident | 70 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 16.1 | 174.5 | -67.2 | 174.3 | 0 | 0 | 0 | 112.8 | I1835 R1836 A1837 L1841 I1879 E1880 V1883 V1981 V1988 | I1835-L1839 HydrophobicContact CB-CD1 4.4Å; I1835-L1839 HydrophobicContact CD1-CD1 3.68Å; I1835-L1839 HydrophobicContact CD1-CG 4.39Å; I1835-L1839 HydrophobicContact CG1-CD1 3.67Å; I1835-L1839 HydrophobicContact CG1-CG 4.03Å; I1835-L1839 HydrophobicContact CG2-CD1 3.81Å; I1835-L1839 HydrophobicContact CG2-CG 4.4Å; I1835-L1839 VanDerWaalsContact O-CG 3.31Å; I1835-L1839 WeakPolarHBondContact O-CG 3.3Å; I1835-L1839 PolarHBondContact O-N 3.34Å; I1835-L1839 VanDerWaalsContact O-N 3.15Å; R1836-L1839 PolarHBondContact O-N 3.21Å; A1837-L1839 VanDerWaalsContact C-N 3.28Å; A1837-L1839 PolarHBondContact O-N 2.87Å; L1839-L1841 PolarHBondContact O-N 3.16Å; L1839-L1841 VanDerWaalsContact O-N 3.08Å; L1839-I1879 HydrophobicContact CD2-CG2 4.17Å; L1839-E1880 HydrophobicContact CD1-CB 4.16Å; L1839-E1880 HydrophobicContact CD1-CG 4.4Å; L1839-V1883 HydrophobicContact CD1-CB 4.13Å; L1839-V1883 HydrophobicContact CD1-CG1 4.08Å; L1839-V1883 HydrophobicContact CD1-CG2 4.08Å; L1839-V1883 HydrophobicContact CD2-CG2 4.2Å; L1839-V1981 HydrophobicContact CD2-CG1 4Å; L1839-V1988 HydrophobicContact CD2-CB 4.23Å; L1839-V1988 HydrophobicContact CD2-CG1 4.03Å; L1839-V1988 HydrophobicContact CG-CG1 4.06Å |
| 1840 | N | 70.9 | Confident | 68.3 | Low | 86.4 Ų | 86.4 | 63.3 Ų | 63.3 | 46% | 0.462 | 34% | 0.338 | S | S | . | . | trans | -70.8 | 95.7 | 174.2 | -168.9 | -13.4 | 0 | 0 | 0 | 110.6 | R1836 A1837 C1838 D1842 E1843 L1844 | R1836-N1840 PolarHBondContact O-N 3.18Å; A1837-N1840 WeakPolarHBondContact O-CB 3.3Å; A1837-N1840 PolarHBondContact O-N 2.92Å; A1837-N1840 VanDerWaalsContact O-N 3.12Å; C1838-N1840 VanDerWaalsContact C-N 3.35Å; C1838-N1840 PolarHBondContact O-N 3.39Å; N1840-D1842 VanDerWaalsContact C-N 3.3Å; N1840-D1842 PolarHBondContact O-N 3.06Å; N1840-D1842 PolarHBondContact OD1-N 3.23Å; N1840-E1843 HydrophobicContact CB-CB 3.99Å; N1840-E1843 VanDerWaalsContact CG-CB 3.48Å; N1840-E1843 WeakPolarHBondContact ND2-CB 3.28Å; N1840-E1843 PolarHBondContact ND2-OE2 3.26Å; N1840-E1843 PolarHBondContact O-N 2.99Å; N1840-E1843 PolarHBondContact OD1-N 3.24Å; N1840-L1844 PolarHBondContact O-N 3.34Å | ||
| 1841 | L | 66.9 | Low | 66.2 | Low | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68 | -18.5 | -174.7 | -86 | 144.9 | 0 | 0 | 0 | 113.6 | L1839 E1843 L1844 L1845 L1869 R1876 I1879 V1981 | L1839-L1841 PolarHBondContact O-N 3.16Å; L1839-L1841 VanDerWaalsContact O-N 3.08Å; L1841-E1843 VanDerWaalsContact C-N 3.3Å; L1841-E1843 PolarHBondContact O-N 3.45Å; L1841-L1844 HydrophobicContact CD2-CD1 4.13Å; L1841-L1844 VanDerWaalsContact O-CB 3.27Å; L1841-L1844 WeakPolarHBondContact O-CB 3.32Å; L1841-L1844 PolarHBondContact O-N 3.16Å; L1841-L1844 VanDerWaalsContact O-N 3.12Å; L1841-L1845 HydrophobicContact CD2-CD1 4.27Å; L1841-L1845 HydrophobicContact CG-CD1 4.42Å; L1841-L1845 WeakPolarHBondContact O-CB 3.19Å; L1841-L1845 VanDerWaalsContact O-CG 3.27Å; L1841-L1845 WeakPolarHBondContact O-CG 3.27Å; L1841-L1845 PolarHBondContact O-N 3.08Å; L1841-L1869 HydrophobicContact CD1-CD1 4.29Å; L1841-L1869 HydrophobicContact CD1-CD2 4.13Å; L1841-L1869 HydrophobicContact CD2-CD1 3.98Å; L1841-L1869 HydrophobicContact CD2-CD2 4.33Å; L1841-R1876 HydrophobicContact CD1-CB 4.22Å; L1841-R1876 HydrophobicContact CD1-CG 3.95Å; L1841-R1876 HydrophobicContact CD2-CG 3.69Å; L1841-I1879 HydrophobicContact CD1-CD1 3.81Å; L1841-I1879 HydrophobicContact CD1-CG2 3.94Å; L1841-I1879 HydrophobicContact CD2-CB 4.42Å; L1841-V1981 HydrophobicContact CD2-CG2 4.45Å |
| 1842 | D | 64.1 | Low | 64.3 | Low | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 179.8 | -70.7 | -37.2 | 0 | 0 | 0 | 112.1 | N1840 L1844 L1845 T1846 R1876 | N1840-D1842 VanDerWaalsContact C-N 3.3Å; N1840-D1842 PolarHBondContact O-N 3.06Å; N1840-D1842 PolarHBondContact OD1-N 3.23Å; D1842-L1844 VanDerWaalsContact C-N 3.27Å; D1842-L1844 PolarHBondContact O-N 3.1Å; D1842-L1845 WeakPolarHBondContact O-CB 3.38Å; D1842-L1845 PolarHBondContact O-N 3.29Å; D1842-L1845 VanDerWaalsContact O-N 3.15Å; D1842-T1846 VanDerWaalsContact O-CB 3.25Å; D1842-T1846 WeakPolarHBondContact O-CB 3.21Å; D1842-T1846 PolarHBondContact O-N 3.12Å; D1842-T1846 VanDerWaalsContact O-N 3.11Å; D1842-T1846 PolarHBondContact O-OG1 3.14Å; D1842-R1876 IonicContact OD1-CZ 3.17Å; D1842-R1876 IonicContact OD1-NE 3.58Å; D1842-R1876 IonicContact OD1-NH1 3.2Å; D1842-R1876 PolarHBondContact OD1-NH1 3.06Å; D1842-R1876 IonicContact OD1-NH2 3Å; D1842-R1876 PolarHBondContact OD1-NH2 3.36Å; D1842-R1876 IonicContact OD2-CZ 3.27Å; D1842-R1876 IonicContact OD2-NH1 3.27Å; D1842-R1876 PolarHBondContact OD2-NH1 2.83Å; D1842-R1876 IonicContact OD2-NH2 3.75Å |
| 1843 | E | 60.3 | Low | 62.3 | Low | 109.2 Ų | 109.2 | 76.4 Ų | 76.4 | 51% | 0.51 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -30.4 | 172.9 | -166.2 | 179.7 | -164.5 | 0 | 0 | 111.7 | S1817 N1840 L1841 L1845 T1846 N1847 | S1817-E1843 VanDerWaalsContact CA-OE1 3.31Å; S1817-E1843 WeakPolarHBondContact CA-OE1 3.42Å; S1817-E1843 VanDerWaalsContact CB-OE1 3.22Å; S1817-E1843 WeakPolarHBondContact CB-OE1 3.41Å; S1817-E1843 PolarHBondContact OG-OE1 3.49Å; N1840-E1843 HydrophobicContact CB-CB 3.99Å; N1840-E1843 VanDerWaalsContact CG-CB 3.48Å; N1840-E1843 WeakPolarHBondContact ND2-CB 3.28Å; N1840-E1843 PolarHBondContact ND2-OE2 3.26Å; N1840-E1843 PolarHBondContact O-N 2.99Å; N1840-E1843 PolarHBondContact OD1-N 3.24Å; L1841-E1843 VanDerWaalsContact C-N 3.3Å; L1841-E1843 PolarHBondContact O-N 3.45Å; E1843-L1845 PolarHBondContact O-N 3.47Å; E1843-T1846 VanDerWaalsContact CA-OG1 3.26Å; E1843-T1846 WeakPolarHBondContact CA-OG1 3.29Å; E1843-T1846 PolarHBondContact O-N 3.46Å; E1843-T1846 PolarHBondContact O-OG1 2.95Å; E1843-T1846 VanDerWaalsContact O-OG1 3.07Å; E1843-N1847 WeakPolarHBondContact CG-ND2 3.47Å; E1843-N1847 VanDerWaalsContact O-CB 3.28Å; E1843-N1847 WeakPolarHBondContact O-CB 3.3Å; E1843-N1847 VanDerWaalsContact O-CG 3.25Å; E1843-N1847 PolarHBondContact O-N 3.29Å; E1843-N1847 VanDerWaalsContact O-N 3.14Å; E1843-N1847 PolarHBondContact O-ND2 2.86Å |
| 1844 | L | 57 | Low | 60.3 | Low | 21.2 Ų | 21.2 | 73.2 Ų | 73.2 | 11% | 0.111 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 174.4 | -135.5 | 163.5 | 0 | 0 | 0 | 111.5 | N1840 L1841 D1842 N1847 A1848 F1866 L1980 K1984 | N1840-L1844 PolarHBondContact O-N 3.34Å; L1841-L1844 HydrophobicContact CD2-CD1 4.13Å; L1841-L1844 VanDerWaalsContact O-CB 3.27Å; L1841-L1844 WeakPolarHBondContact O-CB 3.32Å; L1841-L1844 PolarHBondContact O-N 3.16Å; L1841-L1844 VanDerWaalsContact O-N 3.12Å; D1842-L1844 VanDerWaalsContact C-N 3.27Å; D1842-L1844 PolarHBondContact O-N 3.1Å; L1844-N1847 PolarHBondContact O-N 3.5Å; L1844-A1848 VanDerWaalsContact O-CB 3.26Å; L1844-A1848 WeakPolarHBondContact O-CB 3.36Å; L1844-A1848 PolarHBondContact O-N 3.24Å; L1844-A1848 VanDerWaalsContact O-N 3.16Å; L1844-F1866 HydrophobicContact CB-CE1 4.28Å; L1844-F1866 HydrophobicContact CB-CZ 3.98Å; L1844-F1866 HydrophobicContact CD1-CE1 4.48Å; L1844-F1866 HydrophobicContact CD1-CZ 4.15Å; L1844-F1866 HydrophobicContact CD2-CE1 3.87Å; L1844-F1866 HydrophobicContact CD2-CZ 3.66Å; L1844-F1866 VanDerWaalsContact CD2-CZ 3.44Å; L1844-F1866 HydrophobicContact CG-CZ 4.3Å; L1844-L1980 HydrophobicContact CD1-CD2 4.03Å; L1844-L1980 HydrophobicContact CD1-CG 4.17Å; L1844-L1980 HydrophobicContact CD2-CD2 3.91Å; L1844-K1984 HydrophobicContact CD1-CB 3.55Å; L1844-K1984 HydrophobicContact CD1-CD 3.9Å; L1844-K1984 HydrophobicContact CD1-CG 4.47Å; L1844-K1984 HydrophobicContact CD2-CB 4.2Å; L1844-K1984 HydrophobicContact CD2-CD 4.42Å; L1844-K1984 HydrophobicContact CG-CB 3.87Å; L1844-K1984 HydrophobicContact CG-CD 4.12Å |
| 1845 | L | 56.2 | Low | 58.2 | Low | 52 Ų | 52 | 75.4 Ų | 75.4 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 177.3 | -125 | 97 | 0 | 0 | 0 | 111.6 | L1841 D1842 E1843 A1848 A1849 F1866 L1869 R1876 | L1841-L1845 HydrophobicContact CD2-CD1 4.27Å; L1841-L1845 HydrophobicContact CG-CD1 4.42Å; L1841-L1845 WeakPolarHBondContact O-CB 3.19Å; L1841-L1845 VanDerWaalsContact O-CG 3.27Å; L1841-L1845 WeakPolarHBondContact O-CG 3.27Å; L1841-L1845 PolarHBondContact O-N 3.08Å; D1842-L1845 WeakPolarHBondContact O-CB 3.38Å; D1842-L1845 PolarHBondContact O-N 3.29Å; D1842-L1845 VanDerWaalsContact O-N 3.15Å; E1843-L1845 PolarHBondContact O-N 3.47Å; L1845-A1848 PolarHBondContact O-N 3.26Å; L1845-A1849 VanDerWaalsContact O-CB 3.28Å; L1845-A1849 WeakPolarHBondContact O-CB 3.37Å; L1845-A1849 PolarHBondContact O-N 3.03Å; L1845-F1866 HydrophobicContact CD1-CD1 3.65Å; L1845-F1866 HydrophobicContact CD1-CE1 4.07Å; L1845-F1866 HydrophobicContact CD1-CG 4.42Å; L1845-F1866 HydrophobicContact CG-CD1 4.27Å; L1845-F1866 HydrophobicContact CG-CE1 4.49Å; L1845-L1869 HydrophobicContact CD2-CD1 3.63Å; L1845-R1876 HydrophobicContact CD1-CG 3.93Å |
| 1846 | T | 56.2 | Low | 56.1 | Low | 82.2 Ų | 82.2 | 77.8 Ų | 77.8 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 178.8 | 9.9 | 0 | 0 | 0 | 0 | 111.7 | D1842 E1843 A1848 A1849 I1850 | D1842-T1846 VanDerWaalsContact O-CB 3.25Å; D1842-T1846 WeakPolarHBondContact O-CB 3.21Å; D1842-T1846 PolarHBondContact O-N 3.12Å; D1842-T1846 VanDerWaalsContact O-N 3.11Å; D1842-T1846 PolarHBondContact O-OG1 3.14Å; E1843-T1846 VanDerWaalsContact CA-OG1 3.26Å; E1843-T1846 WeakPolarHBondContact CA-OG1 3.29Å; E1843-T1846 PolarHBondContact O-N 3.46Å; E1843-T1846 PolarHBondContact O-OG1 2.95Å; E1843-T1846 VanDerWaalsContact O-OG1 3.07Å; T1846-A1848 VanDerWaalsContact C-N 3.33Å; T1846-A1848 PolarHBondContact O-N 2.91Å; T1846-A1849 PolarHBondContact O-N 3.14Å; T1846-I1850 HydrophobicContact CG2-CD1 4.27Å; T1846-I1850 VanDerWaalsContact O-CG1 3.31Å; T1846-I1850 WeakPolarHBondContact O-CG1 3.39Å; T1846-I1850 PolarHBondContact O-N 3.04Å; T1846-I1850 VanDerWaalsContact O-N 3.12Å |
| 1847 | N | 48.3 | Very low | 54.4 | Low | 69.2 Ų | 69.2 | 77.4 Ų | 77.4 | 37% | 0.37 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 177.6 | -77.3 | -43.5 | 0 | 0 | 0 | 112.8 | E1843 L1844 I1850 N1851 | E1843-N1847 WeakPolarHBondContact CG-ND2 3.47Å; E1843-N1847 VanDerWaalsContact O-CB 3.28Å; E1843-N1847 WeakPolarHBondContact O-CB 3.3Å; E1843-N1847 VanDerWaalsContact O-CG 3.25Å; E1843-N1847 PolarHBondContact O-N 3.29Å; E1843-N1847 VanDerWaalsContact O-N 3.14Å; E1843-N1847 PolarHBondContact O-ND2 2.86Å; L1844-N1847 PolarHBondContact O-N 3.5Å; N1847-I1850 PolarHBondContact O-N 3.06Å; N1847-N1851 PolarHBondContact O-N 3.17Å; N1847-N1851 VanDerWaalsContact O-N 3.11Å; N1847-N1851 PolarHBondContact O-ND2 3.06Å |
| 1848 | A | 48.7 | Very low | 53.1 | Low | 20.8 Ų | 20.8 | 79.6 Ų | 79.6 | 17% | 0.172 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -74.7 | -35.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1844 L1845 T1846 I1850 N1851 S1852 F1866 | L1844-A1848 VanDerWaalsContact O-CB 3.26Å; L1844-A1848 WeakPolarHBondContact O-CB 3.36Å; L1844-A1848 PolarHBondContact O-N 3.24Å; L1844-A1848 VanDerWaalsContact O-N 3.16Å; L1845-A1848 PolarHBondContact O-N 3.26Å; T1846-A1848 VanDerWaalsContact C-N 3.33Å; T1846-A1848 PolarHBondContact O-N 2.91Å; A1848-I1850 VanDerWaalsContact C-N 3.27Å; A1848-I1850 PolarHBondContact O-N 3Å; A1848-N1851 PolarHBondContact O-N 2.95Å; A1848-N1851 VanDerWaalsContact O-N 3.12Å; A1848-S1852 WeakPolarHBondContact O-CB 3.17Å; A1848-S1852 PolarHBondContact O-N 3.26Å; A1848-F1866 HydrophobicContact CB-CD2 3.87Å; A1848-F1866 HydrophobicContact CB-CE1 4.33Å; A1848-F1866 HydrophobicContact CB-CE2 3.47Å; A1848-F1866 HydrophobicContact CB-CG 4.41Å; A1848-F1866 HydrophobicContact CB-CZ 3.44Å; A1848-F1866 VanDerWaalsContact CB-CZ 3.49Å; A1848-F1866 WeakPolarHBondContact O-CE2 3.32Å; A1848-F1866 WeakPolarHBondContact O-CZ 3.41Å |
| 1849 | A | 49.1 | Very low | 52 | Low | 66 Ų | 66 | 80.5 Ų | 80.5 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -34.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1845 T1846 S1852 F1866 | L1845-A1849 VanDerWaalsContact O-CB 3.28Å; L1845-A1849 WeakPolarHBondContact O-CB 3.37Å; L1845-A1849 PolarHBondContact O-N 3.03Å; T1846-A1849 PolarHBondContact O-N 3.14Å; A1849-S1852 PolarHBondContact O-N 3.43Å; A1849-F1866 HydrophobicContact CB-CE1 4.07Å; A1849-F1866 HydrophobicContact CB-CZ 4.36Å; A1849-F1866 VanDerWaalsContact N-CZ 3.32Å |
| 1850 | I | 47.6 | Very low | 50.9 | Low | 113 Ų | 113 | 85.7 Ų | 85.7 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.7 | -46.8 | 173.3 | -64.3 | 166.4 | 0 | 0 | 0 | 110.5 | T1846 N1847 A1848 S1852 R1853 | T1846-I1850 HydrophobicContact CG2-CD1 4.27Å; T1846-I1850 VanDerWaalsContact O-CG1 3.31Å; T1846-I1850 WeakPolarHBondContact O-CG1 3.39Å; T1846-I1850 PolarHBondContact O-N 3.04Å; T1846-I1850 VanDerWaalsContact O-N 3.12Å; N1847-I1850 PolarHBondContact O-N 3.06Å; A1848-I1850 VanDerWaalsContact C-N 3.27Å; A1848-I1850 PolarHBondContact O-N 3Å; I1850-S1852 VanDerWaalsContact C-N 3.32Å; I1850-S1852 PolarHBondContact O-N 3.08Å; I1850-R1853 WeakPolarHBondContact O-CB 3.45Å; I1850-R1853 PolarHBondContact O-N 3.12Å; I1850-R1853 VanDerWaalsContact O-N 3.13Å |
| 1851 | N | 41.4 | Very low | 50.3 | Low | 109.8 Ų | 109.8 | 82.9 Ų | 82.9 | 59% | 0.587 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.6 | -25.6 | -177.2 | -78.2 | -13 | 0 | 0 | 0 | 114.2 | N1847 A1848 R1853 N1854 | N1847-N1851 PolarHBondContact O-N 3.17Å; N1847-N1851 VanDerWaalsContact O-N 3.11Å; N1847-N1851 PolarHBondContact O-ND2 3.06Å; A1848-N1851 PolarHBondContact O-N 2.95Å; A1848-N1851 VanDerWaalsContact O-N 3.12Å; N1851-R1853 PolarHBondContact O-N 3.03Å; N1851-R1853 VanDerWaalsContact O-N 3.13Å; N1851-N1854 PolarHBondContact O-N 3.25Å; N1851-N1854 VanDerWaalsContact O-N 3.16Å |
| 1852 | S | 43.7 | Very low | 50 | Low | 74.6 Ų | 74.6 | 85.4 Ų | 85.4 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.1 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 113.8 | A1848 A1849 I1850 N1854 | A1848-S1852 WeakPolarHBondContact O-CB 3.17Å; A1848-S1852 PolarHBondContact O-N 3.26Å; A1849-S1852 PolarHBondContact O-N 3.43Å; I1850-S1852 VanDerWaalsContact C-N 3.32Å; I1850-S1852 PolarHBondContact O-N 3.08Å; S1852-N1854 VanDerWaalsContact C-N 3.34Å; S1852-N1854 PolarHBondContact O-N 3.07Å |
| 1853 | R | 44.4 | Very low | 50.3 | Low | 225 Ų | 225 | 84.9 Ų | 84.9 | 85% | 0.849 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.7 | 175.8 | -112.7 | 140.5 | 175.2 | -168.9 | -1.1 | 114 | I1850 N1851 | I1850-R1853 WeakPolarHBondContact O-CB 3.45Å; I1850-R1853 PolarHBondContact O-N 3.12Å; I1850-R1853 VanDerWaalsContact O-N 3.13Å; N1851-R1853 PolarHBondContact O-N 3.03Å; N1851-R1853 VanDerWaalsContact O-N 3.13Å |
| 1854 | N | 39.8 | Very low | 50.6 | Low | 123.8 Ų | 123.8 | 81.4 Ų | 81.4 | 66% | 0.662 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -112.3 | 103.5 | -176.7 | -73.3 | -6 | 0 | 0 | 0 | 110.3 | N1851 S1852 G1856 | N1851-N1854 PolarHBondContact O-N 3.25Å; N1851-N1854 VanDerWaalsContact O-N 3.16Å; S1852-N1854 VanDerWaalsContact C-N 3.34Å; S1852-N1854 PolarHBondContact O-N 3.07Å; N1854-G1856 VanDerWaalsContact C-N 3.31Å; N1854-G1856 PolarHBondContact O-N 3.37Å |
| 1855 | G | 36 | Very low | 51.1 | Low | 80.8 Ų | 80.8 | 80.5 Ų | 80.5 | 83% | 0.833 | 49% | 0.486 | S | S | * | . | trans | -61 | 102.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N1810 | N1810-G1855 PolarHBondContact ND2-O 3.28Š| ||
| 1856 | G | 37.1 | Very low | 51.8 | Low | 51.2 Ų | 51.2 | 79.2 Ų | 79.2 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | trans | -104.6 | 132.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1854 N1858 S1859 | N1854-G1856 VanDerWaalsContact C-N 3.31Å; N1854-G1856 PolarHBondContact O-N 3.37Å; G1856-N1858 PolarHBondContact O-N 3.16Å; G1856-S1859 VanDerWaalsContact O-CB 3.3Å; G1856-S1859 WeakPolarHBondContact O-CB 3.28Å; G1856-S1859 PolarHBondContact O-N 3.16Å; G1856-S1859 PolarHBondContact O-OG 3.15Å; G1856-S1859 VanDerWaalsContact O-OG 3.13Å | ||
| 1857 | T | 44.2 | Very low | 52.6 | Low | 120.6 Ų | 120.6 | 77.8 Ų | 77.8 | 74% | 0.74 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 27.1 | 175.6 | 46.4 | 0 | 0 | 0 | 0 | 115.6 | D1812 S1859 | D1812-T1857 WeakPolarHBondContact OD1-CB 3.39Å; D1812-T1857 PolarHBondContact OD1-OG1 3.38Å; D1812-T1857 PolarHBondContact OD2-OG1 3.28Å; T1857-S1859 VanDerWaalsContact C-N 3.26Å; T1857-S1859 PolarHBondContact O-N 2.86Å; T1857-S1859 VanDerWaalsContact O-N 3.1Å |
| 1858 | N | 48.1 | Very low | 53.8 | Low | 114.4 Ų | 114.4 | 75.1 Ų | 75.1 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 10.2 | 179.4 | -57.1 | 0.7 | 0 | 0 | 0 | 115 | L1813 G1856 N1860 G1861 | L1813-N1858 VanDerWaalsContact CB-ND2 3.26Å; L1813-N1858 WeakPolarHBondContact CB-ND2 3.31Å; L1813-N1858 HydrophobicContact CD1-CB 3.93Å; L1813-N1858 PolarHBondContact O-ND2 3.26Å; G1856-N1858 PolarHBondContact O-N 3.16Å; N1858-N1860 VanDerWaalsContact C-N 3.31Å; N1858-N1860 PolarHBondContact O-N 3.1Å; N1858-N1860 VanDerWaalsContact O-N 3.11Å; N1858-G1861 PolarHBondContact O-N 3.33Å; N1858-G1861 VanDerWaalsContact O-N 3.09Å |
| 1859 | S | 52.4 | Low | 54.9 | Low | 50.8 Ų | 50.8 | 74.4 Ų | 74.4 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.3 | -35.7 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | G1856 T1857 G1861 I1862 T1863 | G1856-S1859 VanDerWaalsContact O-CB 3.3Å; G1856-S1859 WeakPolarHBondContact O-CB 3.28Å; G1856-S1859 PolarHBondContact O-N 3.16Å; G1856-S1859 PolarHBondContact O-OG 3.15Å; G1856-S1859 VanDerWaalsContact O-OG 3.13Å; T1857-S1859 VanDerWaalsContact C-N 3.26Å; T1857-S1859 PolarHBondContact O-N 2.86Å; T1857-S1859 VanDerWaalsContact O-N 3.1Å; S1859-G1861 VanDerWaalsContact C-N 3.33Å; S1859-G1861 PolarHBondContact O-N 3.07Å; S1859-I1862 PolarHBondContact O-N 3.18Å; S1859-I1862 VanDerWaalsContact O-N 3.12Å; S1859-T1863 VanDerWaalsContact O-CB 3.28Å; S1859-T1863 WeakPolarHBondContact O-CB 3.4Å; S1859-T1863 PolarHBondContact O-N 3.27Å; S1859-T1863 PolarHBondContact O-OG1 3.06Å |
| 1860 | N | 56.9 | Low | 56.1 | Low | 130.2 Ų | 130.2 | 78.6 Ų | 78.6 | 70% | 0.696 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | -173.9 | -66.6 | -5.7 | 0 | 0 | 0 | 113.3 | N1858 T1863 A1864 | N1858-N1860 VanDerWaalsContact C-N 3.31Å; N1858-N1860 PolarHBondContact O-N 3.1Å; N1858-N1860 VanDerWaalsContact O-N 3.11Å; N1860-T1863 PolarHBondContact O-N 3.3Å; N1860-A1864 VanDerWaalsContact O-CB 3.25Å; N1860-A1864 WeakPolarHBondContact O-CB 3.39Å; N1860-A1864 PolarHBondContact O-N 3.32Å |
| 1861 | G | 58.3 | Low | 57.4 | Low | 27.8 Ų | 27.8 | 76.6 Ų | 76.6 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69 | -39 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1858 S1859 A1864 A1865 | N1858-G1861 PolarHBondContact O-N 3.33Å; N1858-G1861 VanDerWaalsContact O-N 3.09Å; S1859-G1861 VanDerWaalsContact C-N 3.33Å; S1859-G1861 PolarHBondContact O-N 3.07Å; G1861-A1864 PolarHBondContact O-N 3.02Å; G1861-A1865 WeakPolarHBondContact O-CB 3.33Å; G1861-A1865 PolarHBondContact O-N 3.27Å |
| 1862 | I | 60.8 | Low | 59.1 | Low | 68.8 Ų | 68.8 | 73.7 Ų | 73.7 | 35% | 0.353 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 176.3 | -63.2 | 173.8 | 0 | 0 | 0 | 110.2 | S1859 A1864 A1865 F1866 | S1859-I1862 PolarHBondContact O-N 3.18Å; S1859-I1862 VanDerWaalsContact O-N 3.12Å; I1862-A1864 VanDerWaalsContact C-N 3.33Å; I1862-A1864 PolarHBondContact O-N 3.16Å; I1862-A1865 WeakPolarHBondContact O-CB 3.33Å; I1862-A1865 PolarHBondContact O-N 3.21Å; I1862-F1866 HydrophobicContact CG2-CD2 3.67Å; I1862-F1866 HydrophobicContact CG2-CE2 3.44Å; I1862-F1866 VanDerWaalsContact CG2-CE2 3.45Å; I1862-F1866 HydrophobicContact CG2-CZ 4.37Å; I1862-F1866 VanDerWaalsContact O-CD2 3.24Å; I1862-F1866 WeakPolarHBondContact O-CD2 3.35Å; I1862-F1866 PolarHBondContact O-N 3.19Å |
| 1863 | T | 68.8 | Low | 60.6 | Low | 70.8 Ų | 70.8 | 74.5 Ų | 74.5 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | S1859 N1860 F1866 A1867 | S1859-T1863 VanDerWaalsContact O-CB 3.28Å; S1859-T1863 WeakPolarHBondContact O-CB 3.4Å; S1859-T1863 PolarHBondContact O-N 3.27Å; S1859-T1863 PolarHBondContact O-OG1 3.06Å; N1860-T1863 PolarHBondContact O-N 3.3Å; T1863-F1866 PolarHBondContact O-N 3.13Å; T1863-A1867 VanDerWaalsContact O-CB 3.27Å; T1863-A1867 WeakPolarHBondContact O-CB 3.33Å; T1863-A1867 PolarHBondContact O-N 2.98Å |
| 1864 | A | 68.1 | Low | 62.2 | Low | 36 Ų | 36 | 72 Ų | 72 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1860 G1861 I1862 F1866 A1867 L1868 A1973 | N1860-A1864 VanDerWaalsContact O-CB 3.25Å; N1860-A1864 WeakPolarHBondContact O-CB 3.39Å; N1860-A1864 PolarHBondContact O-N 3.32Å; G1861-A1864 PolarHBondContact O-N 3.02Å; I1862-A1864 VanDerWaalsContact C-N 3.33Å; I1862-A1864 PolarHBondContact O-N 3.16Å; A1864-F1866 VanDerWaalsContact C-N 3.32Å; A1864-F1866 PolarHBondContact O-N 2.99Å; A1864-A1867 PolarHBondContact O-N 3.08Å; A1864-L1868 WeakPolarHBondContact O-CB 3.34Å; A1864-L1868 WeakPolarHBondContact O-CG 3.31Å; A1864-L1868 PolarHBondContact O-N 3.11Å; A1864-A1973 HydrophobicContact CB-CB 3.83Å |
| 1865 | A | 67.6 | Low | 64 | Low | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.017 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1861 I1862 L1868 L1869 L1977 | G1861-A1865 WeakPolarHBondContact O-CB 3.33Å; G1861-A1865 PolarHBondContact O-N 3.27Å; I1862-A1865 WeakPolarHBondContact O-CB 3.33Å; I1862-A1865 PolarHBondContact O-N 3.21Å; A1865-L1868 PolarHBondContact O-N 3.05Å; A1865-L1869 PolarHBondContact O-N 3.1Å; A1865-L1869 VanDerWaalsContact O-N 3.14Å; A1865-L1977 HydrophobicContact CB-CB 3.82Å; A1865-L1977 HydrophobicContact CB-CD1 4.37Å |
| 1866 | F | 71.1 | Confident | 65.9 | Low | 25 Ų | 25 | 66.3 Ų | 66.3 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 173.8 | -79.6 | -63.6 | 0 | 0 | 0 | 113.2 | L1844 L1845 A1848 A1849 I1862 T1863 A1864 L1868 L1869 Q1870 L1980 | L1844-F1866 HydrophobicContact CB-CE1 4.28Å; L1844-F1866 HydrophobicContact CB-CZ 3.98Å; L1844-F1866 HydrophobicContact CD1-CE1 4.48Å; L1844-F1866 HydrophobicContact CD1-CZ 4.15Å; L1844-F1866 HydrophobicContact CD2-CE1 3.87Å; L1844-F1866 HydrophobicContact CD2-CZ 3.66Å; L1844-F1866 VanDerWaalsContact CD2-CZ 3.44Å; L1844-F1866 HydrophobicContact CG-CZ 4.3Å; L1845-F1866 HydrophobicContact CD1-CD1 3.65Å; L1845-F1866 HydrophobicContact CD1-CE1 4.07Å; L1845-F1866 HydrophobicContact CD1-CG 4.42Å; L1845-F1866 HydrophobicContact CG-CD1 4.27Å; L1845-F1866 HydrophobicContact CG-CE1 4.49Å; A1848-F1866 HydrophobicContact CB-CD2 3.87Å; A1848-F1866 HydrophobicContact CB-CE1 4.33Å; A1848-F1866 HydrophobicContact CB-CE2 3.47Å; A1848-F1866 HydrophobicContact CB-CG 4.41Å; A1848-F1866 HydrophobicContact CB-CZ 3.44Å; A1848-F1866 VanDerWaalsContact CB-CZ 3.49Å; A1848-F1866 WeakPolarHBondContact O-CE2 3.32Å; A1848-F1866 WeakPolarHBondContact O-CZ 3.41Å; A1849-F1866 HydrophobicContact CB-CE1 4.07Å; A1849-F1866 HydrophobicContact CB-CZ 4.36Å; A1849-F1866 VanDerWaalsContact N-CZ 3.32Å; I1862-F1866 HydrophobicContact CG2-CD2 3.67Å; I1862-F1866 HydrophobicContact CG2-CE2 3.44Å; I1862-F1866 VanDerWaalsContact CG2-CE2 3.45Å; I1862-F1866 HydrophobicContact CG2-CZ 4.37Å; I1862-F1866 VanDerWaalsContact O-CD2 3.24Å; I1862-F1866 WeakPolarHBondContact O-CD2 3.35Å; I1862-F1866 PolarHBondContact O-N 3.19Å; T1863-F1866 PolarHBondContact O-N 3.13Å; A1864-F1866 VanDerWaalsContact C-N 3.32Å; A1864-F1866 PolarHBondContact O-N 2.99Å; F1866-L1868 VanDerWaalsContact C-N 3.27Å; F1866-L1868 PolarHBondContact O-N 3.33Å; F1866-L1869 HydrophobicContact CD1-CD1 4.16Å; F1866-L1869 HydrophobicContact CE1-CD1 4.34Å; F1866-L1869 WeakPolarHBondContact O-CB 3.27Å; F1866-L1869 PolarHBondContact O-N 3.22Å; F1866-L1869 VanDerWaalsContact O-N 3.15Å; F1866-Q1870 WeakPolarHBondContact O-CB 3.38Å; F1866-Q1870 WeakPolarHBondContact O-CG 3.34Å; F1866-Q1870 PolarHBondContact O-N 3.23Å; F1866-L1980 HydrophobicContact CE2-CD2 4.26Å; F1866-L1980 HydrophobicContact CZ-CD2 4.09Å |
| 1867 | A | 73.1 | Confident | 68 | Low | 52.6 Ų | 52.6 | 66.4 Ų | 66.4 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | T1863 A1864 Q1870 A1871 | T1863-A1867 VanDerWaalsContact O-CB 3.27Å; T1863-A1867 WeakPolarHBondContact O-CB 3.33Å; T1863-A1867 PolarHBondContact O-N 2.98Å; A1864-A1867 PolarHBondContact O-N 3.08Å; A1867-Q1870 PolarHBondContact O-N 3.21Å; A1867-A1871 VanDerWaalsContact O-CB 3.28Å; A1867-A1871 WeakPolarHBondContact O-CB 3.34Å; A1867-A1871 PolarHBondContact O-N 3.18Å |
| 1868 | L | 71.9 | Confident | 69.9 | Low | 13.4 Ų | 13.4 | 63.4 Ų | 63.4 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 173.8 | -92.8 | 172.4 | 0 | 0 | 0 | 112.9 | A1864 A1865 F1866 Q1870 A1871 N1872 L1875 I1959 V1963 E1970 A1973 V1974 L1977 | A1864-L1868 WeakPolarHBondContact O-CB 3.34Å; A1864-L1868 WeakPolarHBondContact O-CG 3.31Å; A1864-L1868 PolarHBondContact O-N 3.11Å; A1865-L1868 PolarHBondContact O-N 3.05Å; F1866-L1868 VanDerWaalsContact C-N 3.27Å; F1866-L1868 PolarHBondContact O-N 3.33Å; L1868-Q1870 VanDerWaalsContact C-N 3.33Å; L1868-A1871 PolarHBondContact O-N 2.97Å; L1868-N1872 WeakPolarHBondContact O-CB 3.41Å; L1868-N1872 PolarHBondContact O-N 3.09Å; L1868-N1872 VanDerWaalsContact O-N 3.1Å; L1868-N1872 PolarHBondContact O-ND2 3.1Å; L1868-N1872 VanDerWaalsContact O-ND2 3.16Å; L1868-L1875 HydrophobicContact CD2-CD1 3.4Å; L1868-I1959 HydrophobicContact CD2-CG2 4.08Å; L1868-V1963 HydrophobicContact CD2-CG2 4.14Å; L1868-E1970 HydrophobicContact CD1-CB 4.49Å; L1868-E1970 HydrophobicContact CD2-CG 4.33Å; L1868-A1973 HydrophobicContact CD1-CB 3.59Å; L1868-A1973 VanDerWaalsContact CD1-CB 3.5Å; L1868-A1973 HydrophobicContact CG-CB 4.37Å; L1868-V1974 HydrophobicContact CD1-CG2 3.79Å; L1868-V1974 HydrophobicContact CD2-CG2 4.36Å; L1868-L1977 HydrophobicContact CD2-CD2 4.24Å |
| 1869 | L | 71.8 | Confident | 71.7 | Confident | 5.6 Ų | 5.6 | 58.1 Ų | 58.1 | 3% | 0.029 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 174.1 | -79.4 | 172.6 | 0 | 0 | 0 | 112.8 | L1841 L1845 A1865 F1866 N1872 L1875 R1876 I1879 L1977 | L1841-L1869 HydrophobicContact CD1-CD1 4.29Å; L1841-L1869 HydrophobicContact CD1-CD2 4.13Å; L1841-L1869 HydrophobicContact CD2-CD1 3.98Å; L1841-L1869 HydrophobicContact CD2-CD2 4.33Å; L1845-L1869 HydrophobicContact CD2-CD1 3.63Å; A1865-L1869 PolarHBondContact O-N 3.1Å; A1865-L1869 VanDerWaalsContact O-N 3.14Å; F1866-L1869 HydrophobicContact CD1-CD1 4.16Å; F1866-L1869 HydrophobicContact CE1-CD1 4.34Å; F1866-L1869 WeakPolarHBondContact O-CB 3.27Å; F1866-L1869 PolarHBondContact O-N 3.22Å; F1866-L1869 VanDerWaalsContact O-N 3.15Å; L1869-N1872 CarbonylContact O-C 3.44Å; L1869-L1875 HydrophobicContact CD2-CB 4.45Å; L1869-R1876 HydrophobicContact CD2-CG 4.44Å; L1869-I1879 HydrophobicContact CD2-CD1 4.14Å; L1869-L1977 HydrophobicContact CD1-CD1 3.6Å; L1869-L1977 HydrophobicContact CD1-CD2 4.42Å; L1869-L1977 HydrophobicContact CD2-CD1 4.25Å; L1869-L1977 HydrophobicContact CD2-CD2 4Å; L1869-L1977 HydrophobicContact CG-CD1 3.88Å; L1869-L1977 HydrophobicContact CG-CD2 3.85Å |
| 1870 | Q | 75.5 | Confident | 73.4 | Confident | 154.6 Ų | 154.6 | 58 Ų | 58 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -74.7 | -37.3 | 178.9 | -156.7 | 176.4 | 5.3 | 0 | 0 | 111.8 | F1866 A1867 L1868 N1872 | F1866-Q1870 WeakPolarHBondContact O-CB 3.38Å; F1866-Q1870 WeakPolarHBondContact O-CG 3.34Å; F1866-Q1870 PolarHBondContact O-N 3.23Å; A1867-Q1870 PolarHBondContact O-N 3.21Å; L1868-Q1870 VanDerWaalsContact C-N 3.33Å; Q1870-N1872 VanDerWaalsContact C-N 3.34Å |
| 1871 | A | 75 | Confident | 74.8 | Confident | 71.2 Ų | 71.2 | 54.6 Ų | 54.6 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.5 | -33.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1867 L1868 P1873 | A1867-A1871 VanDerWaalsContact O-CB 3.28Å; A1867-A1871 WeakPolarHBondContact O-CB 3.34Å; A1867-A1871 PolarHBondContact O-N 3.18Å; L1868-A1871 PolarHBondContact O-N 2.97Å; A1871-P1873 VanDerWaalsContact O-CD 3.29Å; A1871-P1873 WeakPolarHBondContact O-CD 3.32Å |
| 1872 | N | 75.5 | Confident | 76.2 | Confident | 48.6 Ų | 48.6 | 53.2 Ų | 53.2 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | trans | -122.6 | 77.1 | -174.8 | -61.3 | -75.5 | 0 | 0 | 0 | 111.9 | L1868 L1869 Q1870 R1874 L1875 | L1868-N1872 WeakPolarHBondContact O-CB 3.41Å; L1868-N1872 PolarHBondContact O-N 3.09Å; L1868-N1872 VanDerWaalsContact O-N 3.1Å; L1868-N1872 PolarHBondContact O-ND2 3.1Å; L1868-N1872 VanDerWaalsContact O-ND2 3.16Å; L1869-N1872 CarbonylContact O-C 3.44Å; Q1870-N1872 VanDerWaalsContact C-N 3.34Å; N1872-R1874 PolarHBondContact O-N 3.12Å; N1872-R1874 VanDerWaalsContact O-N 3.1Å; N1872-L1875 HydrophobicContact CB-CB 4.47Å; N1872-L1875 HydrophobicContact CB-CD1 3.62Å; N1872-L1875 HydrophobicContact CB-CG 3.72Å; N1872-L1875 VanDerWaalsContact O-CB 3.32Å; N1872-L1875 WeakPolarHBondContact O-CB 3.38Å; N1872-L1875 WeakPolarHBondContact O-CG 3.33Å; N1872-L1875 PolarHBondContact O-N 3.12Å | ||
| 1873 | P | 75.5 | Confident | 77.6 | Confident | 91.4 Ų | 91.4 | 50 Ų | 50 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.1 | -23.6 | -178.6 | 23.4 | -33.9 | 0 | 0 | 0 | 113.6 | A1871 L1875 R1876 | A1871-P1873 VanDerWaalsContact O-CD 3.29Å; A1871-P1873 WeakPolarHBondContact O-CD 3.32Å; P1873-L1875 VanDerWaalsContact C-N 3.27Å; P1873-L1875 PolarHBondContact O-N 3.1Å; P1873-R1876 WeakPolarHBondContact O-CB 3.41Å; P1873-R1876 PolarHBondContact O-N 3.08Å |
| 1874 | R | 78.8 | Confident | 78.5 | Confident | 172.8 Ų | 172.8 | 48.2 Ų | 48.2 | 65% | 0.652 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.5 | -31 | 174.4 | -62.9 | -173.4 | 78 | -141.5 | 7.3 | 112.9 | N1872 R1876 G1877 L1878 E1962 | N1872-R1874 PolarHBondContact O-N 3.12Å; N1872-R1874 VanDerWaalsContact O-N 3.1Å; R1874-R1876 PolarHBondContact O-N 3.05Å; R1874-G1877 PolarHBondContact O-N 3.25Å; R1874-G1877 VanDerWaalsContact O-N 3.11Å; R1874-L1878 PolarHBondContact O-N 3.25Å; R1874-E1962 VanDerWaalsContact CB-OE1 3.26Å; R1874-E1962 WeakPolarHBondContact CB-OE1 3.29Å; R1874-E1962 VanDerWaalsContact CD-OE1 3.3Å; R1874-E1962 WeakPolarHBondContact CD-OE1 3.36Å; R1874-E1962 IonicContact CZ-OE1 3.42Å; R1874-E1962 IonicContact CZ-OE2 3.58Å; R1874-E1962 IonicContact NE-OE1 3.52Å; R1874-E1962 VanDerWaalsContact NH1-CD 3.29Å; R1874-E1962 IonicContact NH1-OE1 3.33Å; R1874-E1962 PolarHBondContact NH1-OE1 3.27Å; R1874-E1962 IonicContact NH1-OE2 3.35Å; R1874-E1962 PolarHBondContact NH1-OE2 3.05Å; R1874-E1962 VanDerWaalsContact NH1-OE2 3.1Å |
| 1875 | L | 77.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.9 | -37.3 | 178 | -71.1 | 176.9 | 0 | 0 | 0 | 112.1 | L1868 L1869 N1872 P1873 G1877 L1878 I1879 I1959 E1962 | L1868-L1875 HydrophobicContact CD2-CD1 3.4Å; L1869-L1875 HydrophobicContact CD2-CB 4.45Å; N1872-L1875 HydrophobicContact CB-CB 4.47Å; N1872-L1875 HydrophobicContact CB-CD1 3.62Å; N1872-L1875 HydrophobicContact CB-CG 3.72Å; N1872-L1875 VanDerWaalsContact O-CB 3.32Å; N1872-L1875 WeakPolarHBondContact O-CB 3.38Å; N1872-L1875 WeakPolarHBondContact O-CG 3.33Å; N1872-L1875 PolarHBondContact O-N 3.12Å; P1873-L1875 VanDerWaalsContact C-N 3.27Å; P1873-L1875 PolarHBondContact O-N 3.1Å; L1875-G1877 VanDerWaalsContact C-N 3.26Å; L1875-G1877 PolarHBondContact O-N 3.14Å; L1875-L1878 HydrophobicContact CD2-CD1 4.48Å; L1875-L1878 PolarHBondContact O-N 3.27Å; L1875-I1879 WeakPolarHBondContact O-CG1 3.34Å; L1875-I1879 PolarHBondContact O-N 3.03Å; L1875-I1879 VanDerWaalsContact O-N 3.1Å; L1875-I1959 HydrophobicContact CD1-CG2 4.07Å; L1875-I1959 HydrophobicContact CD2-CB 4.25Å; L1875-I1959 HydrophobicContact CD2-CG1 4.17Å; L1875-I1959 HydrophobicContact CD2-CG2 4.07Å; L1875-E1962 HydrophobicContact CD2-CB 3.72Å; L1875-E1962 HydrophobicContact CD2-CG 3.93Å; L1875-E1962 HydrophobicContact CG-CG 4.41Å |
| 1876 | R | 76.5 | Confident | 80.6 | Confident | 83.4 Ų | 83.4 | 52.6 Ų | 52.6 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 178.5 | -77.5 | -179.4 | 171.5 | -162.2 | -3.2 | 111.7 | L1841 D1842 L1845 L1869 P1873 R1874 L1878 | L1841-R1876 HydrophobicContact CD1-CB 4.22Å; L1841-R1876 HydrophobicContact CD1-CG 3.95Å; L1841-R1876 HydrophobicContact CD2-CG 3.69Å; D1842-R1876 IonicContact OD1-CZ 3.17Å; D1842-R1876 IonicContact OD1-NE 3.58Å; D1842-R1876 IonicContact OD1-NH1 3.2Å; D1842-R1876 PolarHBondContact OD1-NH1 3.06Å; D1842-R1876 IonicContact OD1-NH2 3Å; D1842-R1876 PolarHBondContact OD1-NH2 3.36Å; D1842-R1876 IonicContact OD2-CZ 3.27Å; D1842-R1876 IonicContact OD2-NH1 3.27Å; D1842-R1876 PolarHBondContact OD2-NH1 2.83Å; D1842-R1876 IonicContact OD2-NH2 3.75Å; L1845-R1876 HydrophobicContact CD1-CG 3.93Å; L1869-R1876 HydrophobicContact CD2-CG 4.44Å; P1873-R1876 WeakPolarHBondContact O-CB 3.41Å; P1873-R1876 PolarHBondContact O-N 3.08Å; R1874-R1876 PolarHBondContact O-N 3.05Å; R1876-L1878 VanDerWaalsContact C-N 3.29Å; R1876-L1878 PolarHBondContact O-N 3.27Å |
| 1877 | G | 80.8 | Confident | 81.6 | Confident | 52.8 Ų | 52.8 | 51.4 Ų | 51.4 | 54% | 0.544 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.5 | -14.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1874 L1875 P1881 | R1874-G1877 PolarHBondContact O-N 3.25Å; R1874-G1877 VanDerWaalsContact O-N 3.11Å; L1875-G1877 VanDerWaalsContact C-N 3.26Å; L1875-G1877 PolarHBondContact O-N 3.14Å; G1877-P1881 WeakPolarHBondContact O-CD 3.38Å; G1877-P1881 VanDerWaalsContact O-CG 3.3Å; G1877-P1881 WeakPolarHBondContact O-CG 3.36Å |
| 1878 | L | 84.1 | Confident | 82.4 | Confident | 58.2 Ų | 58.2 | 53.5 Ų | 53.5 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -95.3 | -25.3 | 179.5 | -64 | 173.9 | 0 | 0 | 0 | 113.1 | R1874 L1875 R1876 P1881 A1882 I1958 E1962 | R1874-L1878 PolarHBondContact O-N 3.25Å; L1875-L1878 HydrophobicContact CD2-CD1 4.48Å; L1875-L1878 PolarHBondContact O-N 3.27Å; R1876-L1878 VanDerWaalsContact C-N 3.29Å; R1876-L1878 PolarHBondContact O-N 3.27Å; L1878-P1881 WeakPolarHBondContact O-CD 3.35Å; L1878-A1882 VanDerWaalsContact O-CB 3.3Å; L1878-A1882 WeakPolarHBondContact O-CB 3.4Å; L1878-A1882 PolarHBondContact O-N 3.23Å; L1878-A1882 VanDerWaalsContact O-N 3.11Å; L1878-I1958 HydrophobicContact CB-CG2 3.7Å; L1878-I1958 HydrophobicContact CD1-CG2 4.23Å; L1878-I1958 HydrophobicContact CG-CG2 4.47Å; L1878-E1962 HydrophobicContact CD1-CB 4.23Å; L1878-E1962 HydrophobicContact CD1-CG 3.94Å; L1878-E1962 VanDerWaalsContact CD1-CG 3.45Å |
| 1879 | I | 86.6 | Confident | 83.3 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | -179.2 | -71.6 | 164.3 | 0 | 0 | 0 | 111.9 | L1839 L1841 L1869 L1875 A1882 V1883 L1955 V1981 | L1839-I1879 HydrophobicContact CD2-CG2 4.17Å; L1841-I1879 HydrophobicContact CD1-CD1 3.81Å; L1841-I1879 HydrophobicContact CD1-CG2 3.94Å; L1841-I1879 HydrophobicContact CD2-CB 4.42Å; L1869-I1879 HydrophobicContact CD2-CD1 4.14Å; L1875-I1879 WeakPolarHBondContact O-CG1 3.34Å; L1875-I1879 PolarHBondContact O-N 3.03Å; L1875-I1879 VanDerWaalsContact O-N 3.1Å; I1879-A1882 VanDerWaalsContact O-CB 3.3Å; I1879-A1882 WeakPolarHBondContact O-CB 3.25Å; I1879-A1882 PolarHBondContact O-N 3.06Å; I1879-V1883 HydrophobicContact CG2-CG2 4.4Å; I1879-V1883 VanDerWaalsContact O-CG2 3.32Å; I1879-V1883 WeakPolarHBondContact O-CG2 3.38Å; I1879-V1883 PolarHBondContact O-N 3.06Å; I1879-L1955 HydrophobicContact CB-CD2 4.35Å; I1879-L1955 HydrophobicContact CG1-CD2 4.16Å; I1879-L1955 HydrophobicContact CG2-CD2 3.99Å; I1879-V1981 HydrophobicContact CG2-CG1 4.01Å |
| 1880 | E | 86.9 | Confident | 84.2 | Confident | 46.8 Ų | 46.8 | 59.9 Ų | 59.9 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 178.9 | 174.3 | -174 | 172.1 | 0 | 0 | 112.3 | R1836 L1839 A1882 V1883 L1884 | R1836-E1880 WeakPolarHBondContact CB-OE1 3.45Å; R1836-E1880 WeakPolarHBondContact CG-OE2 3.44Å; R1836-E1880 IonicContact CZ-OE1 3.13Å; R1836-E1880 VanDerWaalsContact CZ-OE1 3.24Å; R1836-E1880 IonicContact CZ-OE2 3.45Å; R1836-E1880 VanDerWaalsContact NE-CD 3.33Å; R1836-E1880 IonicContact NE-OE1 3.46Å; R1836-E1880 PolarHBondContact NE-OE1 3.27Å; R1836-E1880 IonicContact NE-OE2 3.19Å; R1836-E1880 PolarHBondContact NE-OE2 2.97Å; R1836-E1880 IonicContact NH2-OE1 3.08Å; R1836-E1880 PolarHBondContact NH2-OE1 2.9Å; R1836-E1880 IonicContact NH2-OE2 3.51Å; R1836-E1880 PolarHBondContact NH2-OE2 3.45Å; L1839-E1880 HydrophobicContact CD1-CB 4.16Å; L1839-E1880 HydrophobicContact CD1-CG 4.4Å; E1880-A1882 VanDerWaalsContact C-N 3.29Å; E1880-A1882 PolarHBondContact O-N 3.27Å; E1880-V1883 PolarHBondContact O-N 3.21Å; E1880-L1884 HydrophobicContact CG-CD1 3.97Å; E1880-L1884 HydrophobicContact CG-CG 4.29Å; E1880-L1884 WeakPolarHBondContact O-CB 3.36Å; E1880-L1884 WeakPolarHBondContact O-CG 3.41Å; E1880-L1884 PolarHBondContact O-N 3.15Å |
| 1881 | P | 86.5 | Confident | 84.9 | Confident | 58.8 Ų | 58.8 | 53.8 Ų | 53.8 | 38% | 0.382 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.8 | -35.3 | 173.3 | -26.8 | 34.4 | 0 | 0 | 0 | 114.2 | G1877 L1878 R1885 | G1877-P1881 WeakPolarHBondContact O-CD 3.38Å; G1877-P1881 VanDerWaalsContact O-CG 3.3Å; G1877-P1881 WeakPolarHBondContact O-CG 3.36Å; L1878-P1881 WeakPolarHBondContact O-CD 3.35Å; P1881-R1885 VanDerWaalsContact O-CB 3.27Å; P1881-R1885 WeakPolarHBondContact O-CB 3.41Å; P1881-R1885 PolarHBondContact O-N 3Å |
| 1882 | A | 87.8 | Confident | 85.5 | Confident | 0.4 Ų | 0.4 | 54.2 Ų | 54.2 | 0% | 0.003 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1878 I1879 E1880 R1885 A1886 S1954 L1955 I1958 | L1878-A1882 VanDerWaalsContact O-CB 3.3Å; L1878-A1882 WeakPolarHBondContact O-CB 3.4Å; L1878-A1882 PolarHBondContact O-N 3.23Å; L1878-A1882 VanDerWaalsContact O-N 3.11Å; I1879-A1882 VanDerWaalsContact O-CB 3.3Å; I1879-A1882 WeakPolarHBondContact O-CB 3.25Å; I1879-A1882 PolarHBondContact O-N 3.06Å; E1880-A1882 VanDerWaalsContact C-N 3.29Å; E1880-A1882 PolarHBondContact O-N 3.27Å; A1882-R1885 PolarHBondContact O-N 3.29Å; A1882-A1886 PolarHBondContact O-N 3.04Å; A1882-A1886 VanDerWaalsContact O-N 3.12Å; A1882-S1954 PolarHBondContact O-OG 3.03Å; A1882-L1955 HydrophobicContact CB-CD2 3.94Å; A1882-I1958 HydrophobicContact CB-CD1 3.31Å; A1882-I1958 VanDerWaalsContact CB-CD1 3.44Å; A1882-I1958 HydrophobicContact CB-CG2 4.49Å |
| 1883 | V | 90 | Very high | 86.2 | Confident | 0.6 Ų | 0.6 | 54.9 Ų | 54.9 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | I1835 L1839 I1879 E1880 R1885 A1886 I1887 L1951 L1955 C1989 | I1835-V1883 HydrophobicContact CD1-CG1 4.42Å; I1835-V1883 HydrophobicContact CG2-CG1 4.15Å; L1839-V1883 HydrophobicContact CD1-CB 4.13Å; L1839-V1883 HydrophobicContact CD1-CG1 4.08Å; L1839-V1883 HydrophobicContact CD1-CG2 4.08Å; L1839-V1883 HydrophobicContact CD2-CG2 4.2Å; I1879-V1883 HydrophobicContact CG2-CG2 4.4Å; I1879-V1883 VanDerWaalsContact O-CG2 3.32Å; I1879-V1883 WeakPolarHBondContact O-CG2 3.38Å; I1879-V1883 PolarHBondContact O-N 3.06Å; E1880-V1883 PolarHBondContact O-N 3.21Å; V1883-R1885 VanDerWaalsContact C-N 3.31Å; V1883-R1885 PolarHBondContact O-N 3.11Å; V1883-A1886 PolarHBondContact O-N 3.24Å; V1883-I1887 HydrophobicContact CG1-CD1 3.87Å; V1883-I1887 VanDerWaalsContact O-CG1 3.31Å; V1883-I1887 WeakPolarHBondContact O-CG1 3.29Å; V1883-I1887 PolarHBondContact O-N 3.14Å; V1883-L1951 HydrophobicContact CB-CD2 4.14Å; V1883-L1951 HydrophobicContact CG1-CD2 3.89Å; V1883-L1951 HydrophobicContact CG2-CD2 4.06Å; V1883-L1955 HydrophobicContact CG2-CD2 4.26Å; V1883-C1989 VanDerWaalsContact CG1-SG 3.53Å; V1883-C1989 WeakPolarHBondContact CG1-SG 3.43Å |
| 1884 | L | 88.9 | Confident | 86.8 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 177.6 | -72.6 | 173.6 | 0 | 0 | 0 | 112.3 | I1832 I1835 E1880 I1887 N1888 | I1832-L1884 HydrophobicContact CD1-CD1 4.27Å; I1832-L1884 HydrophobicContact CD1-CD2 4Å; I1832-L1884 HydrophobicContact CG1-CD2 3.94Å; I1835-L1884 HydrophobicContact CB-CD2 3.99Å; I1835-L1884 HydrophobicContact CD1-CD2 4.14Å; I1835-L1884 HydrophobicContact CG2-CD1 4.09Å; I1835-L1884 HydrophobicContact CG2-CD2 4.14Å; I1835-L1884 HydrophobicContact CG2-CG 3.68Å; E1880-L1884 HydrophobicContact CG-CD1 3.97Å; E1880-L1884 HydrophobicContact CG-CG 4.29Å; E1880-L1884 WeakPolarHBondContact O-CB 3.36Å; E1880-L1884 WeakPolarHBondContact O-CG 3.41Å; E1880-L1884 PolarHBondContact O-N 3.15Å; L1884-I1887 PolarHBondContact O-N 3.19Å; L1884-N1888 WeakPolarHBondContact O-CB 3.3Å; L1884-N1888 VanDerWaalsContact O-CG 3.24Å; L1884-N1888 PolarHBondContact O-N 3.01Å; L1884-N1888 VanDerWaalsContact O-N 3.08Å; L1884-N1888 PolarHBondContact O-ND2 3.1Å; L1884-N1888 VanDerWaalsContact O-ND2 3.15Å |
| 1885 | R | 89 | Confident | 87.4 | Confident | 129.8 Ų | 129.8 | 43.9 Ų | 43.9 | 49% | 0.49 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 175.6 | -173.1 | -177.2 | -58.8 | 127.2 | 2.7 | 111.5 | P1881 A1882 V1883 I1887 N1888 E1889 | P1881-R1885 VanDerWaalsContact O-CB 3.27Å; P1881-R1885 WeakPolarHBondContact O-CB 3.41Å; P1881-R1885 PolarHBondContact O-N 3Å; A1882-R1885 PolarHBondContact O-N 3.29Å; V1883-R1885 VanDerWaalsContact C-N 3.31Å; V1883-R1885 PolarHBondContact O-N 3.11Å; R1885-I1887 VanDerWaalsContact C-N 3.3Å; R1885-I1887 PolarHBondContact O-N 2.99Å; R1885-N1888 PolarHBondContact O-N 3.05Å; R1885-N1888 VanDerWaalsContact O-N 3.15Å; R1885-E1889 WeakPolarHBondContact CD-OE1 3.31Å; R1885-E1889 HydrophobicContact CG-CG 4.37Å; R1885-E1889 VanDerWaalsContact CG-OE1 3.26Å; R1885-E1889 WeakPolarHBondContact CG-OE1 3.25Å; R1885-E1889 WeakPolarHBondContact O-CB 3.44Å; R1885-E1889 WeakPolarHBondContact O-CG 3.34Å; R1885-E1889 PolarHBondContact O-N 3Å |
| 1886 | A | 90.8 | Very high | 88 | Confident | 0.2 Ų | 0.2 | 49.2 Ų | 49.2 | 0% | 0.002 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -39.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1882 V1883 L1890 S1950 L1951 | A1882-A1886 PolarHBondContact O-N 3.04Å; A1882-A1886 VanDerWaalsContact O-N 3.12Å; V1883-A1886 PolarHBondContact O-N 3.24Å; A1886-L1890 PolarHBondContact O-N 3.15Å; A1886-S1950 WeakPolarHBondContact CB-OG 3.37Å; A1886-L1951 HydrophobicContact CB-CD2 3.87Å; A1886-L1951 HydrophobicContact CB-CG 4.4Å |
| 1887 | I | 90.3 | Very high | 88.5 | Confident | 0.4 Ų | 0.4 | 53.4 Ų | 53.4 | 0% | 0.002 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -49.4 | 174.7 | -67.9 | 167.3 | 0 | 0 | 0 | 110.8 | I1835 V1883 L1884 R1885 E1889 L1890 T1891 L1947 C1989 Y1992 M1993 | I1835-I1887 HydrophobicContact CD1-CD1 3.65Å; V1883-I1887 HydrophobicContact CG1-CD1 3.87Å; V1883-I1887 VanDerWaalsContact O-CG1 3.31Å; V1883-I1887 WeakPolarHBondContact O-CG1 3.29Å; V1883-I1887 PolarHBondContact O-N 3.14Å; L1884-I1887 PolarHBondContact O-N 3.19Å; R1885-I1887 VanDerWaalsContact C-N 3.3Å; R1885-I1887 PolarHBondContact O-N 2.99Å; I1887-E1889 VanDerWaalsContact C-N 3.33Å; I1887-E1889 PolarHBondContact O-N 3.21Å; I1887-L1890 PolarHBondContact O-N 3.05Å; I1887-T1891 VanDerWaalsContact O-CB 3.27Å; I1887-T1891 WeakPolarHBondContact O-CB 3.44Å; I1887-T1891 PolarHBondContact O-N 3.16Å; I1887-T1891 PolarHBondContact O-OG1 3.14Å; I1887-L1947 HydrophobicContact CG1-CD1 4.03Å; I1887-C1989 HydrophobicContact CD1-CB 3.8Å; I1887-C1989 HydrophobicContact CG1-CB 4.29Å; I1887-Y1992 HydrophobicContact CG2-CD1 3.95Å; I1887-Y1992 HydrophobicContact CG2-CE1 4.14Å; I1887-M1993 HydrophobicContact CB-CE 4.29Å; I1887-M1993 HydrophobicContact CG1-CE 4.39Å; I1887-M1993 HydrophobicContact CG1-SD 4.3Å; I1887-M1993 HydrophobicContact CG2-CB 4.42Å; I1887-M1993 HydrophobicContact CG2-CE 4.05Å; I1887-M1993 HydrophobicContact CG2-CG 3.87Å; I1887-M1993 HydrophobicContact CG2-SD 4.38Å; I1887-M1993 WeakPolarHBondContact O-CE 3.29Å |
| 1888 | N | 90.1 | Very high | 88.9 | Confident | 96 Ų | 96 | 51 Ų | 51 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | -177 | -74.9 | -42.7 | 0 | 0 | 0 | 112.6 | L1884 R1885 L1890 T1891 T1892 | L1884-N1888 WeakPolarHBondContact O-CB 3.3Å; L1884-N1888 VanDerWaalsContact O-CG 3.24Å; L1884-N1888 PolarHBondContact O-N 3.01Å; L1884-N1888 VanDerWaalsContact O-N 3.08Å; L1884-N1888 PolarHBondContact O-ND2 3.1Å; L1884-N1888 VanDerWaalsContact O-ND2 3.15Å; R1885-N1888 PolarHBondContact O-N 3.05Å; R1885-N1888 VanDerWaalsContact O-N 3.15Å; N1888-L1890 VanDerWaalsContact C-N 3.3Å; N1888-L1890 PolarHBondContact O-N 3.17Å; N1888-T1891 PolarHBondContact O-N 3.18Å; N1888-T1892 PolarHBondContact O-OG1 3.31Å |
| 1889 | E | 90.8 | Very high | 89 | Confident | 121.2 Ų | 121.2 | 48.6 Ų | 48.6 | 57% | 0.566 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.1 | -39.7 | 176 | -89.5 | 173.9 | -178.8 | 0 | 0 | 112.2 | R1885 I1887 P1893 | R1885-E1889 WeakPolarHBondContact CD-OE1 3.31Å; R1885-E1889 HydrophobicContact CG-CG 4.37Å; R1885-E1889 VanDerWaalsContact CG-OE1 3.26Å; R1885-E1889 WeakPolarHBondContact CG-OE1 3.25Å; R1885-E1889 WeakPolarHBondContact O-CB 3.44Å; R1885-E1889 WeakPolarHBondContact O-CG 3.34Å; R1885-E1889 PolarHBondContact O-N 3Å; I1887-E1889 VanDerWaalsContact C-N 3.33Å; I1887-E1889 PolarHBondContact O-N 3.21Å; E1889-P1893 VanDerWaalsContact O-CD 3.27Å; E1889-P1893 WeakPolarHBondContact O-CD 3.37Å; E1889-P1893 WeakPolarHBondContact O-CG 3.37Å |
| 1890 | L | 90.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -84.7 | -23.6 | 179.8 | -72.5 | 174.2 | 0 | 0 | 0 | 113.8 | A1886 I1887 N1888 T1892 P1893 V1894 F1895 A1946 L1947 M1993 | A1886-L1890 PolarHBondContact O-N 3.15Å; I1887-L1890 PolarHBondContact O-N 3.05Å; N1888-L1890 VanDerWaalsContact C-N 3.3Å; N1888-L1890 PolarHBondContact O-N 3.17Å; L1890-T1892 PolarHBondContact O-N 3.08Å; L1890-T1892 VanDerWaalsContact O-N 3.12Å; L1890-P1893 VanDerWaalsContact O-CD 3.28Å; L1890-P1893 WeakPolarHBondContact O-CD 3.42Å; L1890-P1893 VanDerWaalsContact O-CG 3.32Å; L1890-P1893 WeakPolarHBondContact O-CG 3.42Å; L1890-V1894 VanDerWaalsContact O-CB 3.31Å; L1890-V1894 WeakPolarHBondContact O-CB 3.3Å; L1890-V1894 WeakPolarHBondContact O-CG2 3.35Å; L1890-V1894 PolarHBondContact O-N 3.13Å; L1890-V1894 VanDerWaalsContact O-N 3.1Å; L1890-F1895 HydrophobicContact CB-CE2 4.13Å; L1890-F1895 WeakPolarHBondContact O-CD2 3.08Å; L1890-F1895 WeakPolarHBondContact O-CE2 3.23Å; L1890-A1946 HydrophobicContact CD1-CB 4.38Å; L1890-A1946 HydrophobicContact CD2-CB 4.27Å; L1890-L1947 VanDerWaalsContact CD1-CA 3.47Å; L1890-L1947 HydrophobicContact CD1-CB 4.05Å; L1890-L1947 HydrophobicContact CD1-CD1 3.95Å; L1890-L1947 HydrophobicContact CD1-CG 4.47Å; L1890-M1993 HydrophobicContact CB-CE 3.69Å; L1890-M1993 HydrophobicContact CB-SD 4.4Å; L1890-M1993 HydrophobicContact CD1-CE 4.45Å |
| 1891 | T | 89.8 | Confident | 89 | Confident | 26.4 Ų | 26.4 | 58.8 Ų | 58.8 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | -175.6 | -65 | 0 | 0 | 0 | 0 | 112 | I1887 N1888 F1895 V1997 | I1887-T1891 VanDerWaalsContact O-CB 3.27Å; I1887-T1891 WeakPolarHBondContact O-CB 3.44Å; I1887-T1891 PolarHBondContact O-N 3.16Å; I1887-T1891 PolarHBondContact O-OG1 3.14Å; N1888-T1891 PolarHBondContact O-N 3.18Å; T1891-F1895 VanDerWaalsContact CA-CD2 3.43Å; T1891-F1895 VanDerWaalsContact O-CB 3.25Å; T1891-F1895 WeakPolarHBondContact O-CB 3.37Å; T1891-F1895 WeakPolarHBondContact O-CD2 3.37Å; T1891-F1895 PolarHBondContact O-N 3.2Å; T1891-V1997 HydrophobicContact CG2-CG2 4.33Å |
| 1892 | T | 89.5 | Confident | 89.4 | Confident | 79.8 Ų | 79.8 | 56 Ų | 56 | 49% | 0.49 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -58 | -178.8 | -54.4 | 0 | 0 | 0 | 0 | 113.2 | N1888 L1890 V1894 F1895 E1896 | N1888-T1892 PolarHBondContact O-OG1 3.31Å; L1890-T1892 PolarHBondContact O-N 3.08Å; L1890-T1892 VanDerWaalsContact O-N 3.12Å; T1892-V1894 VanDerWaalsContact C-N 3.34Å; T1892-V1894 PolarHBondContact O-N 3.29Å; T1892-F1895 WeakPolarHBondContact O-CB 3.34Å; T1892-F1895 PolarHBondContact O-N 3.25Å; T1892-E1896 HydrophobicContact CG2-CG 4.46Å; T1892-E1896 WeakPolarHBondContact O-CB 3.21Å; T1892-E1896 WeakPolarHBondContact O-CG 3.38Å; T1892-E1896 PolarHBondContact O-N 3.16Å |
| 1893 | P | 89.3 | Confident | 89.7 | Confident | 64.4 Ų | 64.4 | 56.7 Ų | 56.7 | 42% | 0.418 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.4 | -33.9 | -177.9 | 25.4 | -34.6 | 0 | 0 | 0 | 113.3 | E1889 L1890 E1896 R1897 | E1889-P1893 VanDerWaalsContact O-CD 3.27Å; E1889-P1893 WeakPolarHBondContact O-CD 3.37Å; E1889-P1893 WeakPolarHBondContact O-CG 3.37Å; L1890-P1893 VanDerWaalsContact O-CD 3.28Å; L1890-P1893 WeakPolarHBondContact O-CD 3.42Å; L1890-P1893 VanDerWaalsContact O-CG 3.32Å; L1890-P1893 WeakPolarHBondContact O-CG 3.42Å; P1893-E1896 PolarHBondContact O-N 2.63Å; P1893-R1897 WeakPolarHBondContact O-CB 3.44Å; P1893-R1897 WeakPolarHBondContact O-CG 3.28Å; P1893-R1897 PolarHBondContact O-N 3.26Å; P1893-R1897 VanDerWaalsContact O-N 3.13Å |
| 1894 | V | 88.9 | Confident | 89.9 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -46 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L1890 T1892 E1896 R1897 C1898 T1942 A1943 M1993 V1997 | L1890-V1894 VanDerWaalsContact O-CB 3.31Å; L1890-V1894 WeakPolarHBondContact O-CB 3.3Å; L1890-V1894 WeakPolarHBondContact O-CG2 3.35Å; L1890-V1894 PolarHBondContact O-N 3.13Å; L1890-V1894 VanDerWaalsContact O-N 3.1Å; T1892-V1894 VanDerWaalsContact C-N 3.34Å; T1892-V1894 PolarHBondContact O-N 3.29Å; V1894-E1896 PolarHBondContact O-N 3.18Å; V1894-R1897 VanDerWaalsContact O-CB 3.28Å; V1894-R1897 WeakPolarHBondContact O-CB 3.26Å; V1894-R1897 PolarHBondContact O-N 3.36Å; V1894-C1898 WeakPolarHBondContact O-CB 3.39Å; V1894-C1898 PolarHBondContact O-N 3.24Å; V1894-C1898 PolarHBondContact O-SG 3.32Å; V1894-C1898 VanDerWaalsContact O-SG 3.37Å; V1894-T1942 HydrophobicContact CG1-CG2 4.18Å; V1894-T1942 VanDerWaalsContact CG1-CG2 3.42Å; V1894-T1942 HydrophobicContact CG2-CG2 4.31Å; V1894-A1943 HydrophobicContact CG1-CB 4.27Å; V1894-A1943 HydrophobicContact CG2-CB 4.02Å; V1894-M1993 HydrophobicContact CG2-SD 4.22Å; V1894-V1997 HydrophobicContact CG1-CG2 4.11Å |
| 1895 | F | 90.4 | Very high | 90.2 | Very high | 19.2 Ų | 19.2 | 61.7 Ų | 61.7 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 178.6 | -171.3 | -100 | 0 | 0 | 0 | 112.2 | L1890 T1891 T1892 R1897 C1898 A1899 A1943 M1993 V1997 K2000 A2001 D2004 | L1890-F1895 HydrophobicContact CB-CE2 4.13Å; L1890-F1895 WeakPolarHBondContact O-CD2 3.08Å; L1890-F1895 WeakPolarHBondContact O-CE2 3.23Å; T1891-F1895 VanDerWaalsContact CA-CD2 3.43Å; T1891-F1895 VanDerWaalsContact O-CB 3.25Å; T1891-F1895 WeakPolarHBondContact O-CB 3.37Å; T1891-F1895 WeakPolarHBondContact O-CD2 3.37Å; T1891-F1895 PolarHBondContact O-N 3.2Å; T1892-F1895 WeakPolarHBondContact O-CB 3.34Å; T1892-F1895 PolarHBondContact O-N 3.25Å; F1895-R1897 VanDerWaalsContact C-N 3.26Å; F1895-R1897 PolarHBondContact O-N 3.21Å; F1895-C1898 WeakPolarHBondContact O-CB 3.24Å; F1895-C1898 PolarHBondContact O-N 3.08Å; F1895-C1898 VanDerWaalsContact O-N 3.14Å; F1895-A1899 HydrophobicContact CD1-CB 4.37Å; F1895-A1899 HydrophobicContact CD2-CB 4.19Å; F1895-A1899 HydrophobicContact CE1-CB 3.96Å; F1895-A1899 HydrophobicContact CE2-CB 3.73Å; F1895-A1899 HydrophobicContact CG-CB 4.41Å; F1895-A1899 HydrophobicContact CZ-CB 3.6Å; F1895-A1899 VanDerWaalsContact CZ-CB 3.49Å; F1895-A1899 WeakPolarHBondContact O-CB 3.38Å; F1895-A1899 PolarHBondContact O-N 3.11Å; F1895-A1943 HydrophobicContact CE1-CB 3.6Å; F1895-A1943 HydrophobicContact CE2-CB 4.46Å; F1895-A1943 HydrophobicContact CZ-CB 3.35Å; F1895-M1993 HydrophobicContact CE1-CB 4.15Å; F1895-M1993 HydrophobicContact CE1-CE 4.49Å; F1895-M1993 HydrophobicContact CE2-CE 3.41Å; F1895-M1993 VanDerWaalsContact CE2-CE 3.41Å; F1895-M1993 HydrophobicContact CZ-CB 4.13Å; F1895-M1993 HydrophobicContact CZ-CE 3.35Å; F1895-M1993 HydrophobicContact CZ-SD 4.09Å; F1895-V1997 HydrophobicContact CB-CB 4.32Å; F1895-V1997 HydrophobicContact CB-CG1 4.19Å; F1895-V1997 HydrophobicContact CB-CG2 4.15Å; F1895-V1997 HydrophobicContact CD1-CB 4.32Å; F1895-V1997 HydrophobicContact CD1-CG1 4.3Å; F1895-V1997 HydrophobicContact CD1-CG2 3.58Å; F1895-V1997 HydrophobicContact CD2-CG1 4.13Å; F1895-V1997 HydrophobicContact CE1-CG2 4.46Å; F1895-V1997 HydrophobicContact CG-CG2 3.69Å; F1895-K2000 HydrophobicContact CD1-CD 3.94Å; F1895-K2000 HydrophobicContact CD1-CG 4.3Å; F1895-K2000 HydrophobicContact CD2-CB 3.95Å; F1895-K2000 HydrophobicContact CD2-CD 3.74Å; F1895-K2000 HydrophobicContact CD2-CG 3.79Å; F1895-K2000 HydrophobicContact CE1-CD 3.92Å; F1895-K2000 HydrophobicContact CE1-CG 4.09Å; F1895-K2000 HydrophobicContact CE2-CB 3.78Å; F1895-K2000 HydrophobicContact CE2-CD 3.74Å; F1895-K2000 HydrophobicContact CE2-CG 3.47Å; F1895-K2000 VanDerWaalsContact CE2-CG 3.46Å; F1895-K2000 HydrophobicContact CG-CD 3.84Å; F1895-K2000 HydrophobicContact CG-CG 4.16Å; F1895-K2000 HydrophobicContact CZ-CB 4.39Å; F1895-K2000 HydrophobicContact CZ-CD 3.82Å; F1895-K2000 HydrophobicContact CZ-CG 3.63Å; F1895-A2001 HydrophobicContact CE2-CB 4.04Å; F1895-D2004 VanDerWaalsContact CZ-OD2 3.3Å; F1895-D2004 WeakPolarHBondContact CZ-OD2 3.32Å |
| 1896 | E | 89.5 | Confident | 90.6 | Very high | 112.6 Ų | 112.6 | 55.5 Ų | 55.5 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.3 | -35.2 | 177.5 | -76.1 | -175.7 | 178.3 | 0 | 0 | 112.7 | T1892 P1893 V1894 R1900 | T1892-E1896 HydrophobicContact CG2-CG 4.46Å; T1892-E1896 WeakPolarHBondContact O-CB 3.21Å; T1892-E1896 WeakPolarHBondContact O-CG 3.38Å; T1892-E1896 PolarHBondContact O-N 3.16Å; P1893-E1896 PolarHBondContact O-N 2.63Å; V1894-E1896 PolarHBondContact O-N 3.18Å; E1896-R1900 VanDerWaalsContact O-CB 3.31Å; E1896-R1900 WeakPolarHBondContact O-CB 3.37Å; E1896-R1900 VanDerWaalsContact O-CG 3.28Å; E1896-R1900 WeakPolarHBondContact O-CG 3.32Å; E1896-R1900 PolarHBondContact O-N 3.1Å; E1896-R1900 PolarHBondContact O-NE 3.11Å; E1896-R1900 PolarHBondContact O-NH2 3.34Å; E1896-R1900 IonicContact OE2-CZ 2.7Å; E1896-R1900 IonicContact OE2-NH1 3.66Å; E1896-R1900 PolarHBondContact OE2-NH1 3.33Å; E1896-R1900 IonicContact OE2-NH2 2.66Å; E1896-R1900 PolarHBondContact OE2-NH2 3.33Å |
| 1897 | R | 87.2 | Confident | 90.8 | Very high | 171.2 Ų | 171.2 | 55.8 Ų | 55.8 | 65% | 0.646 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.2 | -47.1 | 174.7 | -155.2 | 179.1 | -171.2 | 118.4 | 0.9 | 111.7 | P1893 V1894 F1895 R1900 I1901 | P1893-R1897 WeakPolarHBondContact O-CB 3.44Å; P1893-R1897 WeakPolarHBondContact O-CG 3.28Å; P1893-R1897 PolarHBondContact O-N 3.26Å; P1893-R1897 VanDerWaalsContact O-N 3.13Å; V1894-R1897 VanDerWaalsContact O-CB 3.28Å; V1894-R1897 WeakPolarHBondContact O-CB 3.26Å; V1894-R1897 PolarHBondContact O-N 3.36Å; F1895-R1897 VanDerWaalsContact C-N 3.26Å; F1895-R1897 PolarHBondContact O-N 3.21Å; R1897-R1900 PolarHBondContact O-N 3.46Å; R1897-I1901 HydrophobicContact CG-CD1 4.13Å; R1897-I1901 VanDerWaalsContact O-CG1 3.3Å; R1897-I1901 WeakPolarHBondContact O-CG1 3.42Å; R1897-I1901 PolarHBondContact O-N 2.9Å |
| 1898 | C | 89.2 | Confident | 91 | Very high | 1.2 Ų | 1.2 | 58.7 Ų | 58.7 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -49.3 | -178.8 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | V1894 F1895 R1900 I1901 T1902 M1938 S1939 V1997 | V1894-C1898 WeakPolarHBondContact O-CB 3.39Å; V1894-C1898 PolarHBondContact O-N 3.24Å; V1894-C1898 PolarHBondContact O-SG 3.32Å; V1894-C1898 VanDerWaalsContact O-SG 3.37Å; F1895-C1898 WeakPolarHBondContact O-CB 3.24Å; F1895-C1898 PolarHBondContact O-N 3.08Å; F1895-C1898 VanDerWaalsContact O-N 3.14Å; C1898-R1900 VanDerWaalsContact C-N 3.32Å; C1898-R1900 PolarHBondContact O-N 3.14Å; C1898-I1901 PolarHBondContact O-N 2.9Å; C1898-I1901 VanDerWaalsContact O-N 3.13Å; C1898-T1902 WeakPolarHBondContact O-CB 3.39Å; C1898-T1902 VanDerWaalsContact O-CG2 3.27Å; C1898-T1902 WeakPolarHBondContact O-CG2 3.36Å; C1898-T1902 PolarHBondContact O-N 3.19Å; C1898-T1902 PolarHBondContact O-OG1 3.09Å; C1898-T1902 VanDerWaalsContact O-OG1 3.1Å; C1898-M1938 HydrophobicContact CB-CB 4.29Å; C1898-M1938 HydrophobicContact CB-CG 3.89Å; C1898-M1938 VanDerWaalsContact SG-C 3.59Å; C1898-S1939 VanDerWaalsContact SG-CA 3.6Å; C1898-S1939 PolarHBondContact SG-N 2.81Å; C1898-V1997 HydrophobicContact CB-CG1 4.28Å |
| 1899 | A | 86.1 | Confident | 91.2 | Very high | 9.4 Ų | 9.4 | 56.6 Ų | 56.6 | 8% | 0.078 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -39.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1895 I1901 T1902 V1903 | F1895-A1899 HydrophobicContact CD1-CB 4.37Å; F1895-A1899 HydrophobicContact CD2-CB 4.19Å; F1895-A1899 HydrophobicContact CE1-CB 3.96Å; F1895-A1899 HydrophobicContact CE2-CB 3.73Å; F1895-A1899 HydrophobicContact CG-CB 4.41Å; F1895-A1899 HydrophobicContact CZ-CB 3.6Å; F1895-A1899 VanDerWaalsContact CZ-CB 3.49Å; F1895-A1899 WeakPolarHBondContact O-CB 3.38Å; F1895-A1899 PolarHBondContact O-N 3.11Å; A1899-I1901 VanDerWaalsContact C-N 3.33Å; A1899-I1901 PolarHBondContact O-N 3.34Å; A1899-T1902 PolarHBondContact O-N 3.06Å; A1899-T1902 PolarHBondContact O-OG1 3.01Å; A1899-V1903 HydrophobicContact CB-CG2 3.98Å; A1899-V1903 VanDerWaalsContact O-CB 3.23Å; A1899-V1903 WeakPolarHBondContact O-CB 3.29Å; A1899-V1903 VanDerWaalsContact O-CG2 3.32Å; A1899-V1903 WeakPolarHBondContact O-CG2 3.31Å; A1899-V1903 PolarHBondContact O-N 3.16Å |
| 1900 | R | 84.6 | Confident | 91.4 | Very high | 174.8 Ų | 174.8 | 50.9 Ų | 50.9 | 66% | 0.66 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.3 | -40.4 | 178.2 | -141.5 | -177.1 | -67.2 | -128.5 | -0.5 | 112.5 | E1896 R1897 C1898 T1904 | E1896-R1900 VanDerWaalsContact O-CB 3.31Å; E1896-R1900 WeakPolarHBondContact O-CB 3.37Å; E1896-R1900 VanDerWaalsContact O-CG 3.28Å; E1896-R1900 WeakPolarHBondContact O-CG 3.32Å; E1896-R1900 PolarHBondContact O-N 3.1Å; E1896-R1900 PolarHBondContact O-NE 3.11Å; E1896-R1900 PolarHBondContact O-NH2 3.34Å; E1896-R1900 IonicContact OE2-CZ 2.7Å; E1896-R1900 IonicContact OE2-NH1 3.66Å; E1896-R1900 PolarHBondContact OE2-NH1 3.33Å; E1896-R1900 IonicContact OE2-NH2 2.66Å; E1896-R1900 PolarHBondContact OE2-NH2 3.33Å; R1897-R1900 PolarHBondContact O-N 3.46Å; C1898-R1900 VanDerWaalsContact C-N 3.32Å; C1898-R1900 PolarHBondContact O-N 3.14Å; R1900-T1904 WeakPolarHBondContact O-CB 3.3Å; R1900-T1904 VanDerWaalsContact O-CG2 3.28Å; R1900-T1904 WeakPolarHBondContact O-CG2 3.29Å; R1900-T1904 PolarHBondContact O-N 3.05Å; R1900-T1904 PolarHBondContact O-OG1 3.25Å |
| 1901 | I | 89 | Confident | 91.4 | Very high | 88.4 Ų | 88.4 | 53.9 Ų | 53.9 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -83.3 | -52.8 | -180 | -59.5 | 169.4 | 0 | 0 | 0 | 109.5 | R1897 C1898 A1899 V1903 T1904 T1905 M1938 | R1897-I1901 HydrophobicContact CG-CD1 4.13Å; R1897-I1901 VanDerWaalsContact O-CG1 3.3Å; R1897-I1901 WeakPolarHBondContact O-CG1 3.42Å; R1897-I1901 PolarHBondContact O-N 2.9Å; C1898-I1901 PolarHBondContact O-N 2.9Å; C1898-I1901 VanDerWaalsContact O-N 3.13Å; A1899-I1901 VanDerWaalsContact C-N 3.33Å; A1899-I1901 PolarHBondContact O-N 3.34Å; I1901-V1903 PolarHBondContact O-N 3.04Å; I1901-T1904 PolarHBondContact O-N 3.23Å; I1901-T1904 PolarHBondContact O-OG1 3.22Å; I1901-T1904 VanDerWaalsContact O-OG1 3.09Å; I1901-T1905 WeakPolarHBondContact O-CB 3.39Å; I1901-T1905 PolarHBondContact O-N 3.24Å; I1901-T1905 VanDerWaalsContact O-N 3.09Å; I1901-T1905 PolarHBondContact O-OG1 3.15Å; I1901-M1938 HydrophobicContact CD1-CE 4.26Å; I1901-M1938 HydrophobicContact CG2-CE 4.49Å |
| 1902 | T | 94.9 | Very high | 91.4 | Very high | 1.6 Ų | 1.6 | 58.2 Ų | 58.2 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.8 | -43.4 | -169.8 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | C1898 A1899 T1904 T1905 V1906 I1931 L1934 M1938 | C1898-T1902 WeakPolarHBondContact O-CB 3.39Å; C1898-T1902 VanDerWaalsContact O-CG2 3.27Å; C1898-T1902 WeakPolarHBondContact O-CG2 3.36Å; C1898-T1902 PolarHBondContact O-N 3.19Å; C1898-T1902 PolarHBondContact O-OG1 3.09Å; C1898-T1902 VanDerWaalsContact O-OG1 3.1Å; A1899-T1902 PolarHBondContact O-N 3.06Å; A1899-T1902 PolarHBondContact O-OG1 3.01Å; T1902-T1904 VanDerWaalsContact C-N 3.32Å; T1902-T1904 PolarHBondContact O-N 3.2Å; T1902-T1905 PolarHBondContact O-N 3.05Å; T1902-V1906 WeakPolarHBondContact O-CB 3.35Å; T1902-V1906 VanDerWaalsContact O-CG2 3.26Å; T1902-V1906 WeakPolarHBondContact O-CG2 3.37Å; T1902-V1906 PolarHBondContact O-N 3.19Å; T1902-I1931 VanDerWaalsContact C-CD1 3.41Å; T1902-I1931 WeakPolarHBondContact OG1-CD1 3.39Å; T1902-L1934 HydrophobicContact CG2-CB 4.23Å; T1902-L1934 HydrophobicContact CG2-CD2 3.81Å; T1902-L1934 HydrophobicContact CG2-CG 3.61Å; T1902-M1938 HydrophobicContact CG2-CB 4.12Å; T1902-M1938 HydrophobicContact CG2-CG 3.84Å |
| 1903 | V | 95.5 | Very high | 91.4 | Very high | 13.6 Ų | 13.6 | 56.3 Ų | 56.3 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 178.8 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | A1899 I1901 T1905 V1907 I1931 A2001 D2004 V2005 K2008 | A1899-V1903 HydrophobicContact CB-CG2 3.98Å; A1899-V1903 VanDerWaalsContact O-CB 3.23Å; A1899-V1903 WeakPolarHBondContact O-CB 3.29Å; A1899-V1903 VanDerWaalsContact O-CG2 3.32Å; A1899-V1903 WeakPolarHBondContact O-CG2 3.31Å; A1899-V1903 PolarHBondContact O-N 3.16Å; I1901-V1903 PolarHBondContact O-N 3.04Å; V1903-T1905 VanDerWaalsContact C-N 3.33Å; V1903-T1905 PolarHBondContact O-N 3.49Å; V1903-V1907 HydrophobicContact CG1-CG2 4.4Å; V1903-V1907 VanDerWaalsContact O-CB 3.31Å; V1903-V1907 WeakPolarHBondContact O-CB 3.31Å; V1903-V1907 WeakPolarHBondContact O-CG2 3.39Å; V1903-V1907 PolarHBondContact O-N 2.92Å; V1903-I1931 HydrophobicContact CG2-CD1 4.08Å; V1903-A2001 HydrophobicContact CG2-CB 4.36Å; V1903-D2004 HydrophobicContact CG1-CB 4.48Å; V1903-D2004 HydrophobicContact CG2-CB 4.31Å; V1903-V2005 HydrophobicContact CB-CG2 4.2Å; V1903-V2005 HydrophobicContact CG1-CG2 3.8Å; V1903-V2005 HydrophobicContact CG2-CG2 4.11Å; V1903-K2008 HydrophobicContact CG1-CD 3.71Å |
| 1904 | T | 93.5 | Very high | 91.5 | Very high | 84.4 Ų | 84.4 | 53.3 Ų | 53.3 | 52% | 0.518 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 180 | 42.2 | 0 | 0 | 0 | 0 | 111.7 | R1900 I1901 T1902 V1907 A1908 | R1900-T1904 WeakPolarHBondContact O-CB 3.3Å; R1900-T1904 VanDerWaalsContact O-CG2 3.28Å; R1900-T1904 WeakPolarHBondContact O-CG2 3.29Å; R1900-T1904 PolarHBondContact O-N 3.05Å; R1900-T1904 PolarHBondContact O-OG1 3.25Å; I1901-T1904 PolarHBondContact O-N 3.23Å; I1901-T1904 PolarHBondContact O-OG1 3.22Å; I1901-T1904 VanDerWaalsContact O-OG1 3.09Å; T1902-T1904 VanDerWaalsContact C-N 3.32Å; T1902-T1904 PolarHBondContact O-N 3.2Å; T1904-V1907 PolarHBondContact O-N 2.88Å; T1904-A1908 VanDerWaalsContact O-CB 3.28Å; T1904-A1908 WeakPolarHBondContact O-CB 3.42Å; T1904-A1908 PolarHBondContact O-N 3.23Å |
| 1905 | T | 95 | Very high | 91.5 | Very high | 54.6 Ų | 54.6 | 53.6 Ų | 53.6 | 34% | 0.335 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 176.8 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | I1901 T1902 V1903 V1907 A1908 I1909 L1934 | I1901-T1905 WeakPolarHBondContact O-CB 3.39Å; I1901-T1905 PolarHBondContact O-N 3.24Å; I1901-T1905 VanDerWaalsContact O-N 3.09Å; I1901-T1905 PolarHBondContact O-OG1 3.15Å; T1902-T1905 PolarHBondContact O-N 3.05Å; V1903-T1905 VanDerWaalsContact C-N 3.33Å; V1903-T1905 PolarHBondContact O-N 3.49Å; T1905-V1907 PolarHBondContact O-N 3.13Å; T1905-A1908 PolarHBondContact O-N 3.21Å; T1905-I1909 HydrophobicContact CG2-CD1 3.66Å; T1905-I1909 HydrophobicContact CG2-CG1 4.46Å; T1905-I1909 WeakPolarHBondContact O-CB 3.37Å; T1905-I1909 VanDerWaalsContact O-CG1 3.3Å; T1905-I1909 WeakPolarHBondContact O-CG1 3.29Å; T1905-I1909 PolarHBondContact O-N 3.12Å; T1905-L1934 HydrophobicContact CG2-CD2 4.33Å |
| 1906 | V | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | T1902 A1908 I1909 V1910 A1927 M1930 I1931 L1934 V2005 | T1902-V1906 WeakPolarHBondContact O-CB 3.35Å; T1902-V1906 VanDerWaalsContact O-CG2 3.26Å; T1902-V1906 WeakPolarHBondContact O-CG2 3.37Å; T1902-V1906 PolarHBondContact O-N 3.19Å; V1906-A1908 VanDerWaalsContact C-N 3.32Å; V1906-A1908 PolarHBondContact O-N 3.26Å; V1906-I1909 PolarHBondContact O-N 3.08Å; V1906-V1910 HydrophobicContact CG1-CG2 4.05Å; V1906-V1910 VanDerWaalsContact O-CB 3.28Å; V1906-V1910 WeakPolarHBondContact O-CB 3.32Å; V1906-V1910 VanDerWaalsContact O-CG2 3.25Å; V1906-V1910 WeakPolarHBondContact O-CG2 3.35Å; V1906-V1910 PolarHBondContact O-N 3.11Å; V1906-A1927 HydrophobicContact CG1-CB 4.14Å; V1906-M1930 HydrophobicContact CB-SD 4.4Å; V1906-M1930 HydrophobicContact CG1-CB 4.26Å; V1906-M1930 HydrophobicContact CG1-CG 4.46Å; V1906-M1930 HydrophobicContact CG1-SD 4.26Å; V1906-M1930 HydrophobicContact CG2-CB 4.25Å; V1906-M1930 HydrophobicContact CG2-CE 4.42Å; V1906-M1930 HydrophobicContact CG2-CG 3.88Å; V1906-M1930 HydrophobicContact CG2-SD 3.95Å; V1906-I1931 HydrophobicContact CB-CD1 4.37Å; V1906-I1931 HydrophobicContact CG1-CB 4.37Å; V1906-I1931 HydrophobicContact CG2-CB 4.14Å; V1906-I1931 HydrophobicContact CG2-CD1 3.87Å; V1906-L1934 HydrophobicContact CG2-CD1 3.74Å; V1906-L1934 HydrophobicContact CG2-CD2 4.2Å; V1906-V2005 HydrophobicContact CG1-CG1 4.36Å; V1906-V2005 HydrophobicContact CG1-CG2 4.46Å |
| 1907 | V | 96 | Very high | 91.2 | Very high | 6.2 Ų | 6.2 | 47.6 Ų | 47.6 | 4% | 0.038 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 178.8 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | V1903 T1904 T1905 R1911 V2005 K2008 L2009 | V1903-V1907 HydrophobicContact CG1-CG2 4.4Å; V1903-V1907 VanDerWaalsContact O-CB 3.31Å; V1903-V1907 WeakPolarHBondContact O-CB 3.31Å; V1903-V1907 WeakPolarHBondContact O-CG2 3.39Å; V1903-V1907 PolarHBondContact O-N 2.92Å; T1904-V1907 PolarHBondContact O-N 2.88Å; T1905-V1907 PolarHBondContact O-N 3.13Å; V1907-R1911 HydrophobicContact CG1-CG 4.45Å; V1907-R1911 VanDerWaalsContact CG1-NH1 3.27Å; V1907-R1911 VanDerWaalsContact O-CB 3.26Å; V1907-R1911 WeakPolarHBondContact O-CB 3.4Å; V1907-R1911 VanDerWaalsContact O-CG 3.28Å; V1907-R1911 WeakPolarHBondContact O-CG 3.41Å; V1907-R1911 PolarHBondContact O-N 3.29Å; V1907-R1911 VanDerWaalsContact O-N 3.07Å; V1907-V2005 HydrophobicContact CG2-CG1 4.39Å; V1907-V2005 HydrophobicContact CG2-CG2 4.47Å; V1907-K2008 HydrophobicContact CG1-CG 4.07Å; V1907-K2008 HydrophobicContact CG2-CB 3.97Å; V1907-K2008 HydrophobicContact CG2-CD 4.12Å; V1907-K2008 HydrophobicContact CG2-CG 3.9Å; V1907-L2009 HydrophobicContact CG1-CD2 4.12Å; V1907-L2009 HydrophobicContact CG2-CD2 4.39Å; V1907-L2009 HydrophobicContact CG2-CG 4.35Å |
| 1908 | A | 94.1 | Very high | 91.1 | Very high | 61.2 Ų | 61.2 | 41 Ų | 41 | 51% | 0.506 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1904 T1905 V1906 K1912 | T1904-A1908 VanDerWaalsContact O-CB 3.28Å; T1904-A1908 WeakPolarHBondContact O-CB 3.42Å; T1904-A1908 PolarHBondContact O-N 3.23Å; T1905-A1908 PolarHBondContact O-N 3.21Å; V1906-A1908 VanDerWaalsContact C-N 3.32Å; V1906-A1908 PolarHBondContact O-N 3.26Å; A1908-K1912 WeakPolarHBondContact O-CB 3.33Å; A1908-K1912 PolarHBondContact O-N 3.09Å; A1908-K1912 VanDerWaalsContact O-N 3.13Å |
| 1909 | I | 94.4 | Very high | 90.9 | Very high | 53.4 Ų | 53.4 | 43.6 Ų | 43.6 | 27% | 0.274 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.9 | -49.2 | 180 | -68.1 | 171.3 | 0 | 0 | 0 | 110.4 | T1905 V1906 R1911 K1912 D1913 M1930 | T1905-I1909 HydrophobicContact CG2-CD1 3.66Å; T1905-I1909 HydrophobicContact CG2-CG1 4.46Å; T1905-I1909 WeakPolarHBondContact O-CB 3.37Å; T1905-I1909 VanDerWaalsContact O-CG1 3.3Å; T1905-I1909 WeakPolarHBondContact O-CG1 3.29Å; T1905-I1909 PolarHBondContact O-N 3.12Å; V1906-I1909 PolarHBondContact O-N 3.08Å; I1909-R1911 VanDerWaalsContact C-N 3.34Å; I1909-R1911 PolarHBondContact O-N 3.09Å; I1909-K1912 WeakPolarHBondContact O-CA 3.46Å; I1909-K1912 WeakPolarHBondContact O-CB 3.3Å; I1909-K1912 PolarHBondContact O-N 3.14Å; I1909-K1912 VanDerWaalsContact O-N 3.15Å; I1909-D1913 WeakPolarHBondContact CG2-OD2 3.35Å; I1909-D1913 PolarHBondContact O-N 3.13Å; I1909-M1930 HydrophobicContact CB-CE 4.44Å; I1909-M1930 HydrophobicContact CD1-CE 3.62Å; I1909-M1930 VanDerWaalsContact CD1-CE 3.49Å; I1909-M1930 HydrophobicContact CG2-CE 4.24Å; I1909-M1930 HydrophobicContact CG2-SD 4.31Å |
| 1910 | V | 94 | Very high | 91 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | V1906 K1912 D1913 F1914 M1923 A1927 L2009 Y2058 | V1906-V1910 HydrophobicContact CG1-CG2 4.05Å; V1906-V1910 VanDerWaalsContact O-CB 3.28Å; V1906-V1910 WeakPolarHBondContact O-CB 3.32Å; V1906-V1910 VanDerWaalsContact O-CG2 3.25Å; V1906-V1910 WeakPolarHBondContact O-CG2 3.35Å; V1906-V1910 PolarHBondContact O-N 3.11Å; V1910-K1912 VanDerWaalsContact C-N 3.27Å; V1910-K1912 PolarHBondContact O-N 3.09Å; V1910-D1913 PolarHBondContact O-N 3.11Å; V1910-F1914 HydrophobicContact CB-CD2 4.42Å; V1910-F1914 HydrophobicContact CG1-CD2 3.78Å; V1910-F1914 HydrophobicContact CG1-CE2 4.36Å; V1910-F1914 HydrophobicContact CG1-CG 4.39Å; V1910-F1914 VanDerWaalsContact O-CB 3.29Å; V1910-F1914 WeakPolarHBondContact O-CB 3.45Å; V1910-F1914 WeakPolarHBondContact O-CD2 3.23Å; V1910-F1914 PolarHBondContact O-N 3.16Å; V1910-M1923 HydrophobicContact CG1-CG 3.38Å; V1910-M1923 VanDerWaalsContact CG1-CG 3.42Å; V1910-M1923 HydrophobicContact CG1-SD 4.33Å; V1910-A1927 HydrophobicContact CG1-CB 4.22Å; V1910-A1927 HydrophobicContact CG2-CB 3.93Å; V1910-L2009 HydrophobicContact CG1-CD1 4.41Å; V1910-Y2058 HydrophobicContact CG2-CE1 4.26Å |
| 1911 | R | 92.5 | Very high | 91.3 | Very high | 95 Ų | 95 | 39.9 Ų | 39.9 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -34.3 | 175.1 | -81.8 | -177.9 | 173.4 | 140.3 | 7.6 | 113 | V1907 I1909 A1915 K2008 L2009 D2012 | V1907-R1911 HydrophobicContact CG1-CG 4.45Å; V1907-R1911 VanDerWaalsContact CG1-NH1 3.27Å; V1907-R1911 VanDerWaalsContact O-CB 3.26Å; V1907-R1911 WeakPolarHBondContact O-CB 3.4Å; V1907-R1911 VanDerWaalsContact O-CG 3.28Å; V1907-R1911 WeakPolarHBondContact O-CG 3.41Å; V1907-R1911 PolarHBondContact O-N 3.29Å; V1907-R1911 VanDerWaalsContact O-N 3.07Å; I1909-R1911 VanDerWaalsContact C-N 3.34Å; I1909-R1911 PolarHBondContact O-N 3.09Å; R1911-A1915 WeakPolarHBondContact O-CA 3.41Å; R1911-A1915 VanDerWaalsContact O-CB 3.29Å; R1911-A1915 WeakPolarHBondContact O-CB 3.33Å; R1911-A1915 PolarHBondContact O-N 3.43Å; R1911-K2008 PolarHBondContact NH2-O 3.29Å; R1911-K2008 VanDerWaalsContact NH2-O 3.09Å; R1911-L2009 HydrophobicContact CG-CD2 4.23Å; R1911-D2012 IonicContact CZ-OD1 3.22Å; R1911-D2012 IonicContact CZ-OD2 3.55Å; R1911-D2012 VanDerWaalsContact CZ-OD2 3.3Å; R1911-D2012 IonicContact NE-OD1 3.37Å; R1911-D2012 PolarHBondContact NE-OD1 3.18Å; R1911-D2012 IonicContact NE-OD2 3.2Å; R1911-D2012 PolarHBondContact NE-OD2 3.27Å; R1911-D2012 IonicContact NH2-OD1 3.66Å; R1911-D2012 IonicContact NH2-OD2 3.48Å; R1911-D2012 PolarHBondContact NH2-OD2 3.08Å |
| 1912 | K | 89.8 | Confident | 91.3 | Very high | 117.2 Ų | 117.2 | 38.9 Ų | 38.9 | 51% | 0.51 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -72 | -52.9 | 176.9 | -178.2 | -160.2 | 64.9 | 130.7 | 0 | 110.7 | A1908 I1909 V1910 F1914 A1915 L2045 | A1908-K1912 WeakPolarHBondContact O-CB 3.33Å; A1908-K1912 PolarHBondContact O-N 3.09Å; A1908-K1912 VanDerWaalsContact O-N 3.13Å; I1909-K1912 WeakPolarHBondContact O-CA 3.46Å; I1909-K1912 WeakPolarHBondContact O-CB 3.3Å; I1909-K1912 PolarHBondContact O-N 3.14Å; I1909-K1912 VanDerWaalsContact O-N 3.15Å; V1910-K1912 VanDerWaalsContact C-N 3.27Å; V1910-K1912 PolarHBondContact O-N 3.09Å; K1912-F1914 PolarHBondContact O-N 3.39Å; K1912-A1915 VanDerWaalsContact O-CB 3.29Å; K1912-A1915 WeakPolarHBondContact O-CB 3.38Å; K1912-A1915 PolarHBondContact O-N 3.33Å; K1912-L2045 VanDerWaalsContact O-CD1 3.24Å; K1912-L2045 WeakPolarHBondContact O-CD1 3.35Å; K1912-L2045 WeakPolarHBondContact O-CD2 3.39Å |
| 1913 | D | 88.7 | Confident | 91.2 | Very high | 40.8 Ų | 40.8 | 38.8 Ų | 38.8 | 22% | 0.218 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.1 | -35.5 | -173.4 | -67.2 | -17 | 0 | 0 | 0 | 112.4 | I1909 V1910 A1915 P2050 Y2058 | I1909-D1913 WeakPolarHBondContact CG2-OD2 3.35Å; I1909-D1913 PolarHBondContact O-N 3.13Å; V1910-D1913 PolarHBondContact O-N 3.11Å; D1913-A1915 VanDerWaalsContact C-N 3.33Å; D1913-A1915 PolarHBondContact O-N 2.89Å; D1913-P2050 HydrophobicContact CB-CG 4.37Å; D1913-P2050 WeakPolarHBondContact O-CD 3.43Å; D1913-Y2058 PolarHBondContact OD2-OH 3.22Å |
| 1914 | F | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 14.4 | 178.9 | -66.9 | -97.9 | 0 | 0 | 0 | 113.2 | V1910 K1912 L1916 D1917 R1922 M1923 A1926 R2016 P2050 M2055 Y2058 | V1910-F1914 HydrophobicContact CB-CD2 4.42Å; V1910-F1914 HydrophobicContact CG1-CD2 3.78Å; V1910-F1914 HydrophobicContact CG1-CE2 4.36Å; V1910-F1914 HydrophobicContact CG1-CG 4.39Å; V1910-F1914 VanDerWaalsContact O-CB 3.29Å; V1910-F1914 WeakPolarHBondContact O-CB 3.45Å; V1910-F1914 WeakPolarHBondContact O-CD2 3.23Å; V1910-F1914 PolarHBondContact O-N 3.16Å; K1912-F1914 PolarHBondContact O-N 3.39Å; F1914-L1916 VanDerWaalsContact C-N 3.28Å; F1914-L1916 PolarHBondContact O-N 3.07Å; F1914-L1916 VanDerWaalsContact O-N 3.11Å; F1914-D1917 HydrophobicContact CB-CB 4.12Å; F1914-D1917 HydrophobicContact CD1-CB 3.91Å; F1914-D1917 VanDerWaalsContact CD1-OD2 3.29Å; F1914-D1917 WeakPolarHBondContact CD1-OD2 3.26Å; F1914-D1917 WeakPolarHBondContact CE1-OD2 3.16Å; F1914-D1917 HydrophobicContact CG-CB 4.46Å; F1914-D1917 WeakPolarHBondContact O-CB 3.5Å; F1914-D1917 PolarHBondContact O-N 3.12Å; F1914-D1917 VanDerWaalsContact O-N 3.15Å; F1914-R1922 HydrophobicContact CE1-CB 4.2Å; F1914-R1922 HydrophobicContact CE1-CG 4.1Å; F1914-M1923 HydrophobicContact CB-CB 4.14Å; F1914-M1923 HydrophobicContact CB-CG 3.86Å; F1914-M1923 HydrophobicContact CB-SD 4.31Å; F1914-M1923 HydrophobicContact CD1-CB 3.86Å; F1914-M1923 HydrophobicContact CD1-CG 4.36Å; F1914-M1923 HydrophobicContact CD2-CG 4.43Å; F1914-M1923 HydrophobicContact CE1-CB 4.43Å; F1914-M1923 HydrophobicContact CG-CB 4Å; F1914-M1923 HydrophobicContact CG-CG 3.98Å; F1914-A1926 HydrophobicContact CE1-CB 4.31Å; F1914-A1926 HydrophobicContact CE2-CB 3.58Å; F1914-A1926 HydrophobicContact CZ-CB 3.33Å; F1914-R2016 PolarHBondContact O-NH1 3.21Å; F1914-R2016 VanDerWaalsContact O-NH1 3.13Å; F1914-R2016 PolarHBondContact O-NH2 3.08Å; F1914-P2050 HydrophobicContact CD1-CG 4.16Å; F1914-P2050 HydrophobicContact CD2-CG 4.31Å; F1914-P2050 HydrophobicContact CE1-CG 3.79Å; F1914-P2050 HydrophobicContact CE2-CG 3.97Å; F1914-P2050 HydrophobicContact CG-CG 4.41Å; F1914-P2050 HydrophobicContact CZ-CG 3.69Å; F1914-M2055 HydrophobicContact CE1-SD 4.45Å; F1914-M2055 HydrophobicContact CZ-SD 4.2Å; F1914-Y2058 HydrophobicContact CE2-CD2 4.42Å; F1914-Y2058 HydrophobicContact CE2-CE1 4.44Å; F1914-Y2058 AromaticContact CE2-CE2 3.88Å; F1914-Y2058 HydrophobicContact CE2-CE2 3.88Å; F1914-Y2058 AromaticContact CE2-CZ 3.9Å; F1914-Y2058 HydrophobicContact CZ-CD2 4.41Å; F1914-Y2058 HydrophobicContact CZ-CE2 4.3Å |
| 1915 | A | 87.4 | Confident | 91.2 | Very high | 20.2 Ų | 20.2 | 41.2 Ų | 41.2 | 17% | 0.167 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1911 K1912 D1913 L2032 L2045 | R1911-A1915 WeakPolarHBondContact O-CA 3.41Å; R1911-A1915 VanDerWaalsContact O-CB 3.29Å; R1911-A1915 WeakPolarHBondContact O-CB 3.33Å; R1911-A1915 PolarHBondContact O-N 3.43Å; K1912-A1915 VanDerWaalsContact O-CB 3.29Å; K1912-A1915 WeakPolarHBondContact O-CB 3.38Å; K1912-A1915 PolarHBondContact O-N 3.33Å; D1913-A1915 VanDerWaalsContact C-N 3.33Å; D1913-A1915 PolarHBondContact O-N 2.89Å; A1915-L2032 HydrophobicContact CB-CD1 3.77Å; A1915-L2032 HydrophobicContact CB-CD2 4.21Å; A1915-L2045 HydrophobicContact CB-CD1 3.9Å |
| 1916 | L | 86.7 | Confident | 91.1 | Very high | 4.8 Ų | 4.8 | 38.6 Ų | 38.6 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 17.4 | 178.5 | -61.7 | -179.7 | 0 | 0 | 0 | 113.3 | F1914 A2028 V2029 L2032 L2045 G2048 G2049 | F1914-L1916 VanDerWaalsContact C-N 3.28Å; F1914-L1916 PolarHBondContact O-N 3.07Å; F1914-L1916 VanDerWaalsContact O-N 3.11Å; L1916-A2028 HydrophobicContact CD2-CB 3.97Å; L1916-V2029 HydrophobicContact CD2-CG2 3.91Å; L1916-L2032 HydrophobicContact CD1-CD2 4.2Å; L1916-L2032 HydrophobicContact CD2-CD1 4.11Å; L1916-L2032 HydrophobicContact CD2-CD2 4.24Å; L1916-L2032 HydrophobicContact CG-CD1 4.07Å; L1916-L2032 HydrophobicContact CG-CD2 4.25Å; L1916-L2045 HydrophobicContact CD1-CB 3.89Å; L1916-L2045 WeakPolarHBondContact CD1-O 3.43Å; L1916-L2045 HydrophobicContact CG-CB 4.4Å; L1916-G2048 CarbonylContact O-C 3.5Å; L1916-G2048 WeakPolarHBondContact O-CA 3.4Å; L1916-G2048 PolarHBondContact O-N 3.19Å; L1916-G2049 PolarHBondContact O-N 3.07Å |
| 1917 | D | 87.5 | Confident | 91.1 | Very high | 2.2 Ų | 2.2 | 38.6 Ų | 38.6 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | trans | -96.9 | 122.3 | 174.8 | -164 | -24.6 | 0 | 0 | 0 | 110.1 | F1914 D1919 R1922 R2016 F2024 | F1914-D1917 HydrophobicContact CB-CB 4.12Å; F1914-D1917 HydrophobicContact CD1-CB 3.91Å; F1914-D1917 VanDerWaalsContact CD1-OD2 3.29Å; F1914-D1917 WeakPolarHBondContact CD1-OD2 3.26Å; F1914-D1917 WeakPolarHBondContact CE1-OD2 3.16Å; F1914-D1917 HydrophobicContact CG-CB 4.46Å; F1914-D1917 WeakPolarHBondContact O-CB 3.5Å; F1914-D1917 PolarHBondContact O-N 3.12Å; F1914-D1917 VanDerWaalsContact O-N 3.15Å; D1917-D1919 VanDerWaalsContact C-N 3.32Å; D1917-D1919 WeakPolarHBondContact OD1-CB 3.26Å; D1917-D1919 PolarHBondContact OD1-N 3.11Å; D1917-D1919 VanDerWaalsContact OD1-N 3.08Å; D1917-R1922 IonicContact OD1-CZ 2.63Å; D1917-R1922 IonicContact OD1-NH1 3.12Å; D1917-R1922 PolarHBondContact OD1-NH1 2.81Å; D1917-R1922 IonicContact OD1-NH2 3.05Å; D1917-R1922 IonicContact OD2-CZ 3.21Å; D1917-R1922 VanDerWaalsContact OD2-CZ 3.29Å; D1917-R1922 IonicContact OD2-NE 3.01Å; D1917-R1922 IonicContact OD2-NH1 3.25Å; D1917-R1922 PolarHBondContact OD2-NH1 3.09Å; D1917-R1922 IonicContact OD2-NH2 3.04Å; D1917-R1922 PolarHBondContact OD2-NH2 3.09Å; D1917-R1922 VanDerWaalsContact OD2-NH2 3.1Å; D1917-R2016 PolarHBondContact O-NE 3.07Å; D1917-R2016 PolarHBondContact O-NH1 3.16Å; D1917-F2024 VanDerWaalsContact O-CE1 3.28Å; D1917-F2024 WeakPolarHBondContact O-CE1 3.4Å | ||
| 1918 | P | 84.8 | Confident | 91 | Very high | 31.2 Ų | 31.2 | 38.8 Ų | 38.8 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | trans | -74.5 | -19.9 | 175.9 | 29.4 | -34.6 | 0 | 0 | 0 | 114.1 | P1920 P2021 F2024 M2025 | P1918-P1920 VanDerWaalsContact O-CD 3.28Å; P1918-P1920 WeakPolarHBondContact O-CD 3.25Å; P1918-P2021 HydrophobicContact CB-CB 3.7Å; P1918-P2021 HydrophobicContact CG-CB 4.26Å; P1918-F2024 HydrophobicContact CB-CD1 4.29Å; P1918-M2025 HydrophobicContact CG-CE 4.21Å | ||
| 1919 | D | 86 | Confident | 91 | Very high | 56.2 Ų | 56.2 | 37.2 Ų | 37.2 | 30% | 0.301 | 19% | 0.186 | S | C | . | . | trans | -85.3 | 113.1 | -171.2 | -173.2 | -5.6 | 0 | 0 | 0 | 111.7 | D1917 S1921 R1922 M1923 | D1917-D1919 VanDerWaalsContact C-N 3.32Å; D1917-D1919 WeakPolarHBondContact OD1-CB 3.26Å; D1917-D1919 PolarHBondContact OD1-N 3.11Å; D1917-D1919 VanDerWaalsContact OD1-N 3.08Å; D1919-S1921 VanDerWaalsContact C-N 3.29Å; D1919-S1921 VanDerWaalsContact CG-OG 3.24Å; D1919-S1921 PolarHBondContact O-N 3.17Å; D1919-S1921 WeakPolarHBondContact OD1-CA 3.23Å; D1919-S1921 VanDerWaalsContact OD1-CB 3.3Å; D1919-S1921 WeakPolarHBondContact OD1-CB 3.32Å; D1919-S1921 PolarHBondContact OD1-N 3.1Å; D1919-S1921 PolarHBondContact OD1-OG 3.29Å; D1919-S1921 PolarHBondContact OD2-OG 3.09Å; D1919-S1921 VanDerWaalsContact OD2-OG 3.13Å; D1919-R1922 HydrophobicContact CB-CB 4.33Å; D1919-R1922 HydrophobicContact CB-CG 4.26Å; D1919-R1922 WeakPolarHBondContact OD2-CB 3.4Å; D1919-R1922 WeakPolarHBondContact OD2-CG 3.38Å; D1919-R1922 PolarHBondContact OD2-N 3.27Å; D1919-M1923 PolarHBondContact O-N 3.03Å | ||
| 1920 | P | 88.5 | Confident | 91.1 | Very high | 32.8 Ų | 32.8 | 35.6 Ų | 35.6 | 21% | 0.213 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.3 | -25.8 | 176.6 | 29.3 | -34.4 | 0 | 0 | 0 | 112.7 | P1918 L1924 I2013 R2016 | P1918-P1920 VanDerWaalsContact O-CD 3.28Å; P1918-P1920 WeakPolarHBondContact O-CD 3.25Å; P1920-L1924 VanDerWaalsContact O-CB 3.27Å; P1920-L1924 WeakPolarHBondContact O-CB 3.37Å; P1920-L1924 PolarHBondContact O-N 3.1Å; P1920-I2013 HydrophobicContact CB-CB 4.42Å; P1920-I2013 HydrophobicContact CB-CG1 4.32Å; P1920-I2013 HydrophobicContact CB-CG2 4.03Å; P1920-R2016 HydrophobicContact CB-CB 4.33Å |
| 1921 | S | 89.9 | Confident | 91.3 | Very high | 74.2 Ų | 74.2 | 35.6 Ų | 35.6 | 52% | 0.519 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -72.7 | -42.4 | -175.7 | 73.7 | 0 | 0 | 0 | 0 | 112 | D1919 M1923 L1924 Y1925 | D1919-S1921 VanDerWaalsContact C-N 3.29Å; D1919-S1921 VanDerWaalsContact CG-OG 3.24Å; D1919-S1921 PolarHBondContact O-N 3.17Å; D1919-S1921 WeakPolarHBondContact OD1-CA 3.23Å; D1919-S1921 VanDerWaalsContact OD1-CB 3.3Å; D1919-S1921 WeakPolarHBondContact OD1-CB 3.32Å; D1919-S1921 PolarHBondContact OD1-N 3.1Å; D1919-S1921 PolarHBondContact OD1-OG 3.29Å; D1919-S1921 PolarHBondContact OD2-OG 3.09Å; D1919-S1921 VanDerWaalsContact OD2-OG 3.13Å; S1921-M1923 PolarHBondContact O-N 3.5Å; S1921-L1924 PolarHBondContact O-N 3.05Å; S1921-Y1925 VanDerWaalsContact O-CB 3.28Å; S1921-Y1925 WeakPolarHBondContact O-CB 3.14Å; S1921-Y1925 PolarHBondContact O-N 3.12Å |
| 1922 | R | 90 | Very high | 91.4 | Very high | 66.8 Ų | 66.8 | 33.4 Ų | 33.4 | 25% | 0.252 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.9 | -86.9 | 175.2 | 74.6 | -141.4 | 6.8 | 111.9 | F1914 D1917 D1919 L1924 Y1925 A1926 G2048 P2050 M2055 | F1914-R1922 HydrophobicContact CE1-CB 4.2Å; F1914-R1922 HydrophobicContact CE1-CG 4.1Å; D1917-R1922 IonicContact OD1-CZ 2.63Å; D1917-R1922 IonicContact OD1-NH1 3.12Å; D1917-R1922 PolarHBondContact OD1-NH1 2.81Å; D1917-R1922 IonicContact OD1-NH2 3.05Å; D1917-R1922 IonicContact OD2-CZ 3.21Å; D1917-R1922 VanDerWaalsContact OD2-CZ 3.29Å; D1917-R1922 IonicContact OD2-NE 3.01Å; D1917-R1922 IonicContact OD2-NH1 3.25Å; D1917-R1922 PolarHBondContact OD2-NH1 3.09Å; D1917-R1922 IonicContact OD2-NH2 3.04Å; D1917-R1922 PolarHBondContact OD2-NH2 3.09Å; D1917-R1922 VanDerWaalsContact OD2-NH2 3.1Å; D1919-R1922 HydrophobicContact CB-CB 4.33Å; D1919-R1922 HydrophobicContact CB-CG 4.26Å; D1919-R1922 WeakPolarHBondContact OD2-CB 3.4Å; D1919-R1922 WeakPolarHBondContact OD2-CG 3.38Å; D1919-R1922 PolarHBondContact OD2-N 3.27Å; R1922-L1924 VanDerWaalsContact C-N 3.33Å; R1922-L1924 PolarHBondContact O-N 3.29Å; R1922-Y1925 PolarHBondContact O-N 3.29Å; R1922-A1926 WeakPolarHBondContact O-CB 3.41Å; R1922-A1926 PolarHBondContact O-N 2.97Å; R1922-G2048 PolarHBondContact NH1-O 3.05Å; R1922-G2048 PolarHBondContact NH2-O 2.85Å; R1922-P2050 PolarHBondContact NH2-O 2.95Å; R1922-M2055 HydrophobicContact CB-CE 4.48Å; R1922-M2055 HydrophobicContact CG-CE 3.55Å; R1922-M2055 HydrophobicContact CG-SD 3.59Å; R1922-M2055 VanDerWaalsContact CG-SD 3.59Å |
| 1923 | M | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.6 | -177.5 | -175.2 | 66.8 | 0 | 0 | 111.4 | V1910 F1914 D1919 S1921 A1926 A1927 D2012 I2013 R2016 | V1910-M1923 HydrophobicContact CG1-CG 3.38Å; V1910-M1923 VanDerWaalsContact CG1-CG 3.42Å; V1910-M1923 HydrophobicContact CG1-SD 4.33Å; F1914-M1923 HydrophobicContact CB-CB 4.14Å; F1914-M1923 HydrophobicContact CB-CG 3.86Å; F1914-M1923 HydrophobicContact CB-SD 4.31Å; F1914-M1923 HydrophobicContact CD1-CB 3.86Å; F1914-M1923 HydrophobicContact CD1-CG 4.36Å; F1914-M1923 HydrophobicContact CD2-CG 4.43Å; F1914-M1923 HydrophobicContact CE1-CB 4.43Å; F1914-M1923 HydrophobicContact CG-CB 4Å; F1914-M1923 HydrophobicContact CG-CG 3.98Å; D1919-M1923 PolarHBondContact O-N 3.03Å; S1921-M1923 PolarHBondContact O-N 3.5Å; M1923-A1926 PolarHBondContact O-N 3.14Å; M1923-A1927 WeakPolarHBondContact O-CB 3.31Å; M1923-A1927 PolarHBondContact O-N 3.3Å; M1923-A1927 VanDerWaalsContact O-N 3.07Å; M1923-D2012 HydrophobicContact CE-CB 3.92Å; M1923-D2012 HydrophobicContact SD-CB 4.47Å; M1923-I2013 HydrophobicContact CE-CG1 3.79Å; M1923-R2016 PolarHBondContact SD-NH1 2.82Å; M1923-R2016 VanDerWaalsContact SD-NH1 3.45Å; M1923-R2016 PolarHBondContact SD-NH2 3.13Å |
| 1924 | L | 93.7 | Very high | 91.9 | Very high | 47.4 Ų | 47.4 | 30.8 Ų | 30.8 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -44.1 | -179.9 | -172.3 | 62.4 | 0 | 0 | 0 | 111.7 | P1920 S1921 R1922 A1926 A1927 C1928 E2006 I2013 | P1920-L1924 VanDerWaalsContact O-CB 3.27Å; P1920-L1924 WeakPolarHBondContact O-CB 3.37Å; P1920-L1924 PolarHBondContact O-N 3.1Å; S1921-L1924 PolarHBondContact O-N 3.05Å; R1922-L1924 VanDerWaalsContact C-N 3.33Å; R1922-L1924 PolarHBondContact O-N 3.29Å; L1924-A1926 PolarHBondContact O-N 3.07Å; L1924-A1927 PolarHBondContact O-N 3.15Å; L1924-C1928 WeakPolarHBondContact O-CB 3.35Å; L1924-C1928 PolarHBondContact O-N 3.21Å; L1924-C1928 PolarHBondContact O-SG 2.97Å; L1924-E2006 HydrophobicContact CD1-CB 4.45Å; L1924-E2006 HydrophobicContact CD1-CG 3.84Å; L1924-I2013 HydrophobicContact CB-CD1 4.45Å; L1924-I2013 HydrophobicContact CD1-CD1 3.96Å; L1924-I2013 HydrophobicContact CD2-CD1 4.25Å; L1924-I2013 HydrophobicContact CG-CD1 4.43Å |
| 1925 | Y | 94.2 | Very high | 92 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 39% | 0.392 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.4 | -50.2 | 176.7 | 177.5 | -93 | 0 | 0 | 0 | 111.3 | S1921 R1922 A1927 C1928 Q1929 M2055 E2059 | S1921-Y1925 VanDerWaalsContact O-CB 3.28Å; S1921-Y1925 WeakPolarHBondContact O-CB 3.14Å; S1921-Y1925 PolarHBondContact O-N 3.12Å; R1922-Y1925 PolarHBondContact O-N 3.29Å; Y1925-A1927 VanDerWaalsContact C-N 3.34Å; Y1925-A1927 PolarHBondContact O-N 3.12Å; Y1925-C1928 WeakPolarHBondContact O-CB 3.31Å; Y1925-C1928 PolarHBondContact O-N 3.18Å; Y1925-C1928 VanDerWaalsContact O-N 3.13Å; Y1925-Q1929 HydrophobicContact CD1-CG 4.24Å; Y1925-Q1929 HydrophobicContact CE1-CG 3.88Å; Y1925-Q1929 HydrophobicContact CE2-CG 4.33Å; Y1925-Q1929 WeakPolarHBondContact O-CG 3.4Å; Y1925-Q1929 PolarHBondContact O-N 3.34Å; Y1925-M2055 HydrophobicContact CD1-CE 3.65Å; Y1925-M2055 HydrophobicContact CE1-CE 4.2Å; Y1925-E2059 HydrophobicContact CE1-CG 4.07Å |
| 1926 | A | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1914 R1922 M1923 L1924 C1928 Q1929 M1930 M2055 Y2058 | F1914-A1926 HydrophobicContact CE1-CB 4.31Å; F1914-A1926 HydrophobicContact CE2-CB 3.58Å; F1914-A1926 HydrophobicContact CZ-CB 3.33Å; R1922-A1926 WeakPolarHBondContact O-CB 3.41Å; R1922-A1926 PolarHBondContact O-N 2.97Å; M1923-A1926 PolarHBondContact O-N 3.14Å; L1924-A1926 PolarHBondContact O-N 3.07Å; A1926-C1928 PolarHBondContact O-N 3.11Å; A1926-Q1929 PolarHBondContact O-N 3.26Å; A1926-M1930 WeakPolarHBondContact O-CB 3.34Å; A1926-M1930 PolarHBondContact O-N 3.08Å; A1926-M2055 HydrophobicContact CB-CE 4.33Å; A1926-Y2058 HydrophobicContact CB-CD1 3.55Å; A1926-Y2058 VanDerWaalsContact CB-CD1 3.49Å; A1926-Y2058 HydrophobicContact CB-CD2 4.19Å; A1926-Y2058 HydrophobicContact CB-CE1 3.99Å; A1926-Y2058 HydrophobicContact CB-CE2 4.46Å; A1926-Y2058 HydrophobicContact CB-CG 3.64Å; A1926-Y2058 WeakPolarHBondContact O-CD1 3.35Å |
| 1927 | A | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1906 V1910 M1923 L1924 Y1925 M1930 I1931 V2005 L2009 | V1906-A1927 HydrophobicContact CG1-CB 4.14Å; V1910-A1927 HydrophobicContact CG1-CB 4.22Å; V1910-A1927 HydrophobicContact CG2-CB 3.93Å; M1923-A1927 WeakPolarHBondContact O-CB 3.31Å; M1923-A1927 PolarHBondContact O-N 3.3Å; M1923-A1927 VanDerWaalsContact O-N 3.07Å; L1924-A1927 PolarHBondContact O-N 3.15Å; Y1925-A1927 VanDerWaalsContact C-N 3.34Å; Y1925-A1927 PolarHBondContact O-N 3.12Å; A1927-M1930 PolarHBondContact O-N 3.1Å; A1927-I1931 WeakPolarHBondContact O-CB 3.34Å; A1927-I1931 VanDerWaalsContact O-CG2 3.25Å; A1927-I1931 WeakPolarHBondContact O-CG2 3.39Å; A1927-I1931 PolarHBondContact O-N 2.96Å; A1927-V2005 HydrophobicContact CB-CG1 3.78Å; A1927-L2009 HydrophobicContact CB-CD1 3.62Å |
| 1928 | C | 95.2 | Very high | 92.8 | Very high | 11.2 Ų | 11.2 | 33.1 Ų | 33.1 | 8% | 0.076 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 179.8 | -71.4 | 0 | 0 | 0 | 0 | 112.9 | L1924 Y1925 A1926 I1931 R1932 V2002 | L1924-C1928 WeakPolarHBondContact O-CB 3.35Å; L1924-C1928 PolarHBondContact O-N 3.21Å; L1924-C1928 PolarHBondContact O-SG 2.97Å; Y1925-C1928 WeakPolarHBondContact O-CB 3.31Å; Y1925-C1928 PolarHBondContact O-N 3.18Å; Y1925-C1928 VanDerWaalsContact O-N 3.13Å; A1926-C1928 PolarHBondContact O-N 3.11Å; C1928-I1931 WeakPolarHBondContact O-CG2 3.35Å; C1928-R1932 WeakPolarHBondContact O-CD 3.3Å; C1928-R1932 VanDerWaalsContact O-CG 3.32Å; C1928-R1932 WeakPolarHBondContact O-CG 3.34Å; C1928-R1932 PolarHBondContact O-N 3.09Å; C1928-V2002 HydrophobicContact CB-CG1 4.48Å |
| 1929 | Q | 94.6 | Very high | 93.2 | Very high | 28.6 Ų | 28.6 | 31.6 Ų | 31.6 | 13% | 0.134 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.7 | -46.1 | 174.7 | -59.1 | -44.1 | -20.7 | 0 | 0 | 111.7 | Y1925 A1926 I1931 R1932 H1933 Y2058 F2061 G2062 | Y1925-Q1929 HydrophobicContact CD1-CG 4.24Å; Y1925-Q1929 HydrophobicContact CE1-CG 3.88Å; Y1925-Q1929 HydrophobicContact CE2-CG 4.33Å; Y1925-Q1929 WeakPolarHBondContact O-CG 3.4Å; Y1925-Q1929 PolarHBondContact O-N 3.34Å; A1926-Q1929 PolarHBondContact O-N 3.26Å; Q1929-I1931 VanDerWaalsContact C-N 3.34Å; Q1929-I1931 PolarHBondContact O-N 2.97Å; Q1929-R1932 PolarHBondContact O-N 3.15Å; Q1929-H1933 PolarHBondContact O-N 3.3Å; Q1929-Y2058 WeakPolarHBondContact CB-O 3.42Å; Q1929-F2061 HydrophobicContact CB-CB 4.28Å; Q1929-G2062 VanDerWaalsContact OE1-CA 3.31Å |
| 1930 | M | 96.3 | Very high | 93.4 | Very high | 19.4 Ų | 19.4 | 31.2 Ų | 31.2 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | -179.4 | -166.9 | -175.5 | -174.9 | 0 | 0 | 112.5 | V1906 I1909 A1926 A1927 R1932 H1933 L1934 Y2058 F2061 | V1906-M1930 HydrophobicContact CB-SD 4.4Å; V1906-M1930 HydrophobicContact CG1-CB 4.26Å; V1906-M1930 HydrophobicContact CG1-CG 4.46Å; V1906-M1930 HydrophobicContact CG1-SD 4.26Å; V1906-M1930 HydrophobicContact CG2-CB 4.25Å; V1906-M1930 HydrophobicContact CG2-CE 4.42Å; V1906-M1930 HydrophobicContact CG2-CG 3.88Å; V1906-M1930 HydrophobicContact CG2-SD 3.95Å; I1909-M1930 HydrophobicContact CB-CE 4.44Å; I1909-M1930 HydrophobicContact CD1-CE 3.62Å; I1909-M1930 VanDerWaalsContact CD1-CE 3.49Å; I1909-M1930 HydrophobicContact CG2-CE 4.24Å; I1909-M1930 HydrophobicContact CG2-SD 4.31Å; A1926-M1930 WeakPolarHBondContact O-CB 3.34Å; A1926-M1930 PolarHBondContact O-N 3.08Å; A1927-M1930 PolarHBondContact O-N 3.1Å; M1930-R1932 PolarHBondContact O-N 3.38Å; M1930-H1933 PolarHBondContact O-N 3.06Å; M1930-L1934 HydrophobicContact CE-CD1 3.81Å; M1930-L1934 HydrophobicContact CG-CD1 3.95Å; M1930-L1934 HydrophobicContact CG-CG 4.49Å; M1930-L1934 WeakPolarHBondContact O-CB 3.31Å; M1930-L1934 WeakPolarHBondContact O-CG 3.44Å; M1930-L1934 PolarHBondContact O-N 3.05Å; M1930-Y2058 HydrophobicContact CB-CD1 4.28Å; M1930-Y2058 HydrophobicContact CB-CE1 4.37Å; M1930-Y2058 HydrophobicContact SD-CE1 3.99Å; M1930-F2061 HydrophobicContact CB-CD2 3.99Å; M1930-F2061 HydrophobicContact CB-CE2 4.41Å; M1930-F2061 HydrophobicContact CB-CG 4.48Å; M1930-F2061 HydrophobicContact CE-CE2 4.26Å; M1930-F2061 HydrophobicContact CG-CD2 3.88Å; M1930-F2061 HydrophobicContact CG-CE2 3.95Å; M1930-F2061 HydrophobicContact CG-CG 4.48Å; M1930-F2061 HydrophobicContact CG-CZ 4.44Å; M1930-F2061 HydrophobicContact SD-CE2 4.43Å |
| 1931 | I | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -35.7 | 179.6 | -167.5 | 64.3 | 0 | 0 | 0 | 112.4 | T1902 V1903 V1906 A1927 C1928 Q1929 H1933 L1934 A1935 A2001 V2002 V2005 | T1902-I1931 VanDerWaalsContact C-CD1 3.41Å; T1902-I1931 WeakPolarHBondContact OG1-CD1 3.39Å; V1903-I1931 HydrophobicContact CG2-CD1 4.08Å; V1906-I1931 HydrophobicContact CB-CD1 4.37Å; V1906-I1931 HydrophobicContact CG1-CB 4.37Å; V1906-I1931 HydrophobicContact CG2-CB 4.14Å; V1906-I1931 HydrophobicContact CG2-CD1 3.87Å; A1927-I1931 WeakPolarHBondContact O-CB 3.34Å; A1927-I1931 VanDerWaalsContact O-CG2 3.25Å; A1927-I1931 WeakPolarHBondContact O-CG2 3.39Å; A1927-I1931 PolarHBondContact O-N 2.96Å; C1928-I1931 WeakPolarHBondContact O-CG2 3.35Å; Q1929-I1931 VanDerWaalsContact C-N 3.34Å; Q1929-I1931 PolarHBondContact O-N 2.97Å; I1931-H1933 VanDerWaalsContact C-N 3.35Å; I1931-L1934 PolarHBondContact O-N 3.2Å; I1931-A1935 HydrophobicContact CD1-CB 4.49Å; I1931-A1935 WeakPolarHBondContact O-CB 3.36Å; I1931-A1935 PolarHBondContact O-N 3.23Å; I1931-A2001 HydrophobicContact CD1-CB 4.11Å; I1931-A2001 HydrophobicContact CG1-CB 3.65Å; I1931-V2002 HydrophobicContact CG2-CB 4.34Å; I1931-V2002 HydrophobicContact CG2-CG2 3.61Å; I1931-V2005 HydrophobicContact CB-CG2 3.98Å; I1931-V2005 HydrophobicContact CD1-CG2 3.89Å; I1931-V2005 HydrophobicContact CG1-CG2 3.66Å; I1931-V2005 HydrophobicContact CG2-CG2 4.31Å |
| 1932 | R | 94.9 | Very high | 93.5 | Very high | 49.2 Ų | 49.2 | 34.7 Ų | 34.7 | 19% | 0.186 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.9 | -77 | 179.7 | -175.5 | 103.8 | 2 | 111 | C1928 Q1929 M1930 A1936 E1999 V2002 I2065 | C1928-R1932 WeakPolarHBondContact O-CD 3.3Å; C1928-R1932 VanDerWaalsContact O-CG 3.32Å; C1928-R1932 WeakPolarHBondContact O-CG 3.34Å; C1928-R1932 PolarHBondContact O-N 3.09Å; Q1929-R1932 PolarHBondContact O-N 3.15Å; M1930-R1932 PolarHBondContact O-N 3.38Å; R1932-A1936 WeakPolarHBondContact O-CB 3.37Å; R1932-A1936 PolarHBondContact O-N 3.03Å; R1932-A1936 VanDerWaalsContact O-N 3.07Å; R1932-E1999 IonicContact CZ-OE1 3.35Å; R1932-E1999 IonicContact CZ-OE2 2.73Å; R1932-E1999 IonicContact NE-OE1 3.17Å; R1932-E1999 PolarHBondContact NE-OE1 3.14Å; R1932-E1999 IonicContact NE-OE2 2.92Å; R1932-E1999 IonicContact NH1-OE1 3.16Å; R1932-E1999 PolarHBondContact NH1-OE1 3.11Å; R1932-E1999 IonicContact NH1-OE2 3.5Å; R1932-E1999 PolarHBondContact NH1-OE2 2.89Å; R1932-E1999 IonicContact NH2-OE1 3.14Å; R1932-E1999 PolarHBondContact NH2-OE1 3.31Å; R1932-E1999 IonicContact NH2-OE2 3.3Å; R1932-E1999 PolarHBondContact NH2-OE2 3.23Å; R1932-V2002 HydrophobicContact CG-CG2 3.69Å; R1932-I2065 HydrophobicContact CB-CD1 4.29Å |
| 1933 | H | 94.7 | Very high | 93.5 | Very high | 47.8 Ų | 47.8 | 31.6 Ų | 31.6 | 22% | 0.221 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.7 | -55.8 | 176.3 | -172.4 | 96.1 | 0 | 0 | 0 | 111.8 | Q1929 M1930 I1931 A1936 G1937 F2061 V2064 P2066 | Q1929-H1933 PolarHBondContact O-N 3.3Å; M1930-H1933 PolarHBondContact O-N 3.06Å; I1931-H1933 VanDerWaalsContact C-N 3.35Å; H1933-A1936 PolarHBondContact O-N 3.29Å; H1933-G1937 PolarHBondContact O-N 3.13Å; H1933-F2061 HydrophobicContact CB-CB 3.89Å; H1933-F2061 HydrophobicContact CB-CD1 4.08Å; H1933-F2061 HydrophobicContact CB-CG 4.31Å; H1933-F2061 WeakPolarHBondContact CB-O 3.35Å; H1933-F2061 AromaticContact CD2-CD1 3.87Å; H1933-F2061 AromaticContact CG-CD1 3.68Å; H1933-F2061 AromaticContact ND1-CD1 3.89Å; H1933-F2061 PolarHBondContact ND1-O 2.72Å; H1933-V2064 PolarHBondContact CE1-O 3.33Å; H1933-V2064 PolarHBondContact ND1-O 2.95Å; H1933-P2066 WeakPolarHBondContact O-CD 3.42Å |
| 1934 | L | 94.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 39.4 Ų | 39.4 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.8 | -40.6 | -172 | -153.5 | 81.4 | 0 | 0 | 0 | 112.4 | T1902 T1905 V1906 M1930 I1931 G1937 M1938 | T1902-L1934 HydrophobicContact CG2-CB 4.23Å; T1902-L1934 HydrophobicContact CG2-CD2 3.81Å; T1902-L1934 HydrophobicContact CG2-CG 3.61Å; T1905-L1934 HydrophobicContact CG2-CD2 4.33Å; V1906-L1934 HydrophobicContact CG2-CD1 3.74Å; V1906-L1934 HydrophobicContact CG2-CD2 4.2Å; M1930-L1934 HydrophobicContact CE-CD1 3.81Å; M1930-L1934 HydrophobicContact CG-CD1 3.95Å; M1930-L1934 HydrophobicContact CG-CG 4.49Å; M1930-L1934 WeakPolarHBondContact O-CB 3.31Å; M1930-L1934 WeakPolarHBondContact O-CG 3.44Å; M1930-L1934 PolarHBondContact O-N 3.05Å; I1931-L1934 PolarHBondContact O-N 3.2Å; L1934-G1937 PolarHBondContact O-N 3.21Å; L1934-M1938 HydrophobicContact CD1-CG 4.44Å; L1934-M1938 VanDerWaalsContact O-CB 3.26Å; L1934-M1938 WeakPolarHBondContact O-CB 3.32Å; L1934-M1938 VanDerWaalsContact O-CG 3.29Å; L1934-M1938 WeakPolarHBondContact O-CG 3.42Å; L1934-M1938 PolarHBondContact O-N 3.32Å |
| 1935 | A | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.2 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | I1931 S1939 A1998 A2001 | I1931-A1935 HydrophobicContact CD1-CB 4.49Å; I1931-A1935 WeakPolarHBondContact O-CB 3.36Å; I1931-A1935 PolarHBondContact O-N 3.23Å; A1935-S1939 VanDerWaalsContact O-CB 3.24Å; A1935-S1939 WeakPolarHBondContact O-CB 3.33Å; A1935-S1939 PolarHBondContact O-N 3.13Å; A1935-S1939 PolarHBondContact O-OG 3.26Å; A1935-A1998 HydrophobicContact CB-CB 4.25Å; A1935-A2001 HydrophobicContact CB-CB 3.9Å |
| 1936 | A | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1932 H1933 S1939 L1940 Q1994 A1998 I2065 F2068 | R1932-A1936 WeakPolarHBondContact O-CB 3.37Å; R1932-A1936 PolarHBondContact O-N 3.03Å; R1932-A1936 VanDerWaalsContact O-N 3.07Å; H1933-A1936 PolarHBondContact O-N 3.29Å; A1936-S1939 WeakPolarHBondContact CA-OG 3.41Å; A1936-S1939 PolarHBondContact O-OG 3Å; A1936-S1939 VanDerWaalsContact O-OG 3.07Å; A1936-L1940 WeakPolarHBondContact O-CB 3.28Å; A1936-L1940 PolarHBondContact O-N 3.13Å; A1936-L1940 VanDerWaalsContact O-N 3.07Å; A1936-Q1994 HydrophobicContact CB-CB 4.41Å; A1936-Q1994 PolarHBondContact O-NE2 3.16Å; A1936-A1998 HydrophobicContact CB-CB 4.46Å; A1936-I2065 HydrophobicContact CB-CG2 3.41Å; A1936-I2065 VanDerWaalsContact CB-CG2 3.42Å; A1936-F2068 HydrophobicContact CB-CE2 4.38Å |
| 1937 | G | 92.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | H1933 L1934 S1939 L1940 I1941 | H1933-G1937 PolarHBondContact O-N 3.13Å; L1934-G1937 PolarHBondContact O-N 3.21Å; G1937-S1939 VanDerWaalsContact C-N 3.32Å; G1937-S1939 PolarHBondContact O-N 3.31Å; G1937-L1940 WeakPolarHBondContact O-CB 3.34Å; G1937-L1940 PolarHBondContact O-N 3.15Å; G1937-I1941 WeakPolarHBondContact O-CG1 3.25Å; G1937-I1941 PolarHBondContact O-N 3.17Å; G1937-I1941 VanDerWaalsContact O-N 3.17Å |
| 1938 | M | 93.2 | Very high | 92.9 | Very high | 62.2 Ų | 62.2 | 42 Ų | 42 | 31% | 0.306 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 179.4 | -86.7 | -51.9 | -86.1 | 0 | 0 | 112.5 | C1898 I1901 T1902 L1934 I1941 T1942 | C1898-M1938 HydrophobicContact CB-CB 4.29Å; C1898-M1938 HydrophobicContact CB-CG 3.89Å; C1898-M1938 VanDerWaalsContact SG-C 3.59Å; I1901-M1938 HydrophobicContact CD1-CE 4.26Å; I1901-M1938 HydrophobicContact CG2-CE 4.49Å; T1902-M1938 HydrophobicContact CG2-CB 4.12Å; T1902-M1938 HydrophobicContact CG2-CG 3.84Å; L1934-M1938 HydrophobicContact CD1-CG 4.44Å; L1934-M1938 VanDerWaalsContact O-CB 3.26Å; L1934-M1938 WeakPolarHBondContact O-CB 3.32Å; L1934-M1938 VanDerWaalsContact O-CG 3.29Å; L1934-M1938 WeakPolarHBondContact O-CG 3.42Å; L1934-M1938 PolarHBondContact O-N 3.32Å; M1938-I1941 PolarHBondContact O-N 3.31Å; M1938-T1942 VanDerWaalsContact O-CB 3.3Å; M1938-T1942 WeakPolarHBondContact O-CB 3.35Å; M1938-T1942 PolarHBondContact O-N 3.04Å; M1938-T1942 VanDerWaalsContact O-N 3.16Å; M1938-T1942 PolarHBondContact O-OG1 3.16Å |
| 1939 | S | 92.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.5 | -35.4 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | C1898 A1935 A1936 G1937 I1941 T1942 A1943 Q1994 | C1898-S1939 VanDerWaalsContact SG-CA 3.6Å; C1898-S1939 PolarHBondContact SG-N 2.81Å; A1935-S1939 VanDerWaalsContact O-CB 3.24Å; A1935-S1939 WeakPolarHBondContact O-CB 3.33Å; A1935-S1939 PolarHBondContact O-N 3.13Å; A1935-S1939 PolarHBondContact O-OG 3.26Å; A1936-S1939 WeakPolarHBondContact CA-OG 3.41Å; A1936-S1939 PolarHBondContact O-OG 3Å; A1936-S1939 VanDerWaalsContact O-OG 3.07Å; G1937-S1939 VanDerWaalsContact C-N 3.32Å; G1937-S1939 PolarHBondContact O-N 3.31Å; S1939-I1941 VanDerWaalsContact C-N 3.35Å; S1939-I1941 PolarHBondContact O-N 3.05Å; S1939-T1942 PolarHBondContact O-N 3.12Å; S1939-A1943 WeakPolarHBondContact O-CB 3.4Å; S1939-A1943 PolarHBondContact O-N 3.06Å; S1939-Q1994 WeakPolarHBondContact OG-CA 3.27Å; S1939-Q1994 WeakPolarHBondContact OG-CG 3.19Å |
| 1940 | L | 91.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.3 | -51.1 | 173.9 | -176.2 | 57.5 | 0 | 0 | 0 | 111.6 | A1936 G1937 T1942 A1943 R1944 L1990 Q1994 | A1936-L1940 WeakPolarHBondContact O-CB 3.28Å; A1936-L1940 PolarHBondContact O-N 3.13Å; A1936-L1940 VanDerWaalsContact O-N 3.07Å; G1937-L1940 WeakPolarHBondContact O-CB 3.34Å; G1937-L1940 PolarHBondContact O-N 3.15Å; L1940-T1942 VanDerWaalsContact C-N 3.35Å; L1940-T1942 PolarHBondContact O-N 3.48Å; L1940-A1943 PolarHBondContact O-N 2.9Å; L1940-R1944 VanDerWaalsContact O-CB 3.28Å; L1940-R1944 WeakPolarHBondContact O-CB 3.42Å; L1940-R1944 PolarHBondContact O-N 3.36Å; L1940-R1944 VanDerWaalsContact O-N 3.14Å; L1940-L1990 HydrophobicContact CD1-CB 4.5Å; L1940-L1990 HydrophobicContact CD1-CD1 4.21Å; L1940-L1990 HydrophobicContact CD1-CD2 3.48Å; L1940-L1990 HydrophobicContact CD1-CG 4.02Å; L1940-Q1994 HydrophobicContact CB-CG 4.36Å |
| 1941 | I | 89.7 | Confident | 92.4 | Very high | 136.2 Ų | 136.2 | 46.3 Ų | 46.3 | 70% | 0.698 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -67.1 | -43.2 | -177.5 | -60.8 | 166.7 | 0 | 0 | 0 | 110.3 | G1937 M1938 S1939 | G1937-I1941 WeakPolarHBondContact O-CG1 3.25Å; G1937-I1941 PolarHBondContact O-N 3.17Å; G1937-I1941 VanDerWaalsContact O-N 3.17Å; M1938-I1941 PolarHBondContact O-N 3.31Å; S1939-I1941 VanDerWaalsContact C-N 3.35Å; S1939-I1941 PolarHBondContact O-N 3.05Å |
| 1942 | T | 89.7 | Confident | 92.2 | Very high | 43.2 Ų | 43.2 | 46.9 Ų | 46.9 | 27% | 0.265 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.1 | -37.2 | -175.9 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | V1894 M1938 S1939 L1940 | V1894-T1942 HydrophobicContact CG1-CG2 4.18Å; V1894-T1942 VanDerWaalsContact CG1-CG2 3.42Å; V1894-T1942 HydrophobicContact CG2-CG2 4.31Å; M1938-T1942 VanDerWaalsContact O-CB 3.3Å; M1938-T1942 WeakPolarHBondContact O-CB 3.35Å; M1938-T1942 PolarHBondContact O-N 3.04Å; M1938-T1942 VanDerWaalsContact O-N 3.16Å; M1938-T1942 PolarHBondContact O-OG1 3.16Å; S1939-T1942 PolarHBondContact O-N 3.12Å; L1940-T1942 VanDerWaalsContact C-N 3.35Å; L1940-T1942 PolarHBondContact O-N 3.48Å |
| 1943 | A | 90.8 | Very high | 92.1 | Very high | 1.8 Ų | 1.8 | 47.8 Ų | 47.8 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -90.4 | -27 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1894 F1895 S1939 L1940 E1945 A1946 L1947 L1990 M1993 | V1894-A1943 HydrophobicContact CG1-CB 4.27Å; V1894-A1943 HydrophobicContact CG2-CB 4.02Å; F1895-A1943 HydrophobicContact CE1-CB 3.6Å; F1895-A1943 HydrophobicContact CE2-CB 4.46Å; F1895-A1943 HydrophobicContact CZ-CB 3.35Å; S1939-A1943 WeakPolarHBondContact O-CB 3.4Å; S1939-A1943 PolarHBondContact O-N 3.06Å; L1940-A1943 PolarHBondContact O-N 2.9Å; A1943-E1945 PolarHBondContact O-N 3.2Å; A1943-A1946 PolarHBondContact O-N 3.15Å; A1943-L1947 WeakPolarHBondContact O-CB 3.31Å; A1943-L1947 PolarHBondContact O-N 3.23Å; A1943-L1990 HydrophobicContact CB-CD1 3.99Å; A1943-L1990 HydrophobicContact CB-CD2 3.98Å; A1943-M1993 HydrophobicContact CB-SD 3.45Å; A1943-M1993 WeakPolarHBondContact CB-SD 3.35Å |
| 1944 | R | 91.9 | Very high | 91.8 | Very high | 164 Ų | 164 | 46.6 Ų | 46.6 | 62% | 0.619 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -53.4 | -49.9 | -168.1 | -177.2 | 173.9 | -176.3 | -135 | 1.5 | 113.4 | L1940 G1948 M1986 L1990 | L1940-R1944 VanDerWaalsContact O-CB 3.28Å; L1940-R1944 WeakPolarHBondContact O-CB 3.42Å; L1940-R1944 PolarHBondContact O-N 3.36Å; L1940-R1944 VanDerWaalsContact O-N 3.14Å; R1944-G1948 PolarHBondContact O-N 3.27Å; R1944-M1986 HydrophobicContact CG-CE 4.3Å; R1944-M1986 VanDerWaalsContact O-CE 3.22Å; R1944-M1986 WeakPolarHBondContact O-CE 3.34Å; R1944-L1990 HydrophobicContact CB-CD1 4.26Å; R1944-L1990 HydrophobicContact CB-CD2 4.32Å; R1944-L1990 HydrophobicContact CG-CD1 4.07Å; R1944-L1990 HydrophobicContact CG-CD2 4.18Å |
| 1945 | E | 90.2 | Very high | 91.6 | Very high | 146.6 Ų | 146.6 | 44.1 Ų | 44.1 | 69% | 0.685 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -74.5 | -47.3 | -177.9 | -169.9 | 132 | -164.3 | 0 | 0 | 112 | A1943 L1947 G1948 M1949 | A1943-E1945 PolarHBondContact O-N 3.2Å; E1945-L1947 VanDerWaalsContact C-N 3.33Å; E1945-L1947 PolarHBondContact O-N 3.12Å; E1945-G1948 PolarHBondContact O-N 3.26Å; E1945-G1948 VanDerWaalsContact O-N 3.16Å; E1945-M1949 WeakPolarHBondContact O-CG 3.34Å; E1945-M1949 PolarHBondContact O-N 3.15Å; E1945-M1949 VanDerWaalsContact O-N 3.1Å; E1945-M1949 WeakPolarHBondContact OE1-CE 3.4Å |
| 1946 | A | 90 | Very high | 91.3 | Very high | 43.2 Ų | 43.2 | 46.3 Ų | 46.3 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -40.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1890 A1943 S1950 | L1890-A1946 HydrophobicContact CD1-CB 4.38Å; L1890-A1946 HydrophobicContact CD2-CB 4.27Å; A1943-A1946 PolarHBondContact O-N 3.15Å; A1946-S1950 VanDerWaalsContact O-CB 3.27Å; A1946-S1950 WeakPolarHBondContact O-CB 3.4Å; A1946-S1950 PolarHBondContact O-N 2.87Å |
| 1947 | L | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 177.1 | -176.9 | 62.1 | 0 | 0 | 0 | 111.5 | I1887 L1890 A1943 E1945 M1949 S1950 L1951 M1986 C1989 L1990 M1993 | I1887-L1947 HydrophobicContact CG1-CD1 4.03Å; L1890-L1947 VanDerWaalsContact CD1-CA 3.47Å; L1890-L1947 HydrophobicContact CD1-CB 4.05Å; L1890-L1947 HydrophobicContact CD1-CD1 3.95Å; L1890-L1947 HydrophobicContact CD1-CG 4.47Å; A1943-L1947 WeakPolarHBondContact O-CB 3.31Å; A1943-L1947 PolarHBondContact O-N 3.23Å; E1945-L1947 VanDerWaalsContact C-N 3.33Å; E1945-L1947 PolarHBondContact O-N 3.12Å; L1947-M1949 PolarHBondContact O-N 2.99Å; L1947-S1950 PolarHBondContact O-N 3.19Å; L1947-L1951 HydrophobicContact CD1-CD1 3.97Å; L1947-L1951 HydrophobicContact CD1-CD2 4.33Å; L1947-L1951 HydrophobicContact CD1-CG 3.85Å; L1947-L1951 HydrophobicContact CD2-CD1 4.38Å; L1947-L1951 HydrophobicContact CG-CD1 3.77Å; L1947-L1951 HydrophobicContact CG-CG 4.13Å; L1947-L1951 VanDerWaalsContact O-CB 3.26Å; L1947-L1951 WeakPolarHBondContact O-CB 3.39Å; L1947-L1951 VanDerWaalsContact O-CG 3.23Å; L1947-L1951 WeakPolarHBondContact O-CG 3.44Å; L1947-L1951 PolarHBondContact O-N 3.01Å; L1947-M1986 HydrophobicContact CB-CE 4.25Å; L1947-M1986 HydrophobicContact CB-SD 4.5Å; L1947-M1986 HydrophobicContact CD2-SD 4.29Å; L1947-M1986 HydrophobicContact CG-CE 4.36Å; L1947-M1986 HydrophobicContact CG-SD 4.25Å; L1947-C1989 HydrophobicContact CD2-CB 3.96Å; L1947-L1990 HydrophobicContact CB-CD2 4.16Å; L1947-L1990 HydrophobicContact CD2-CB 4.17Å; L1947-L1990 HydrophobicContact CD2-CD1 4.05Å; L1947-L1990 HydrophobicContact CD2-CD2 3.61Å; L1947-L1990 HydrophobicContact CD2-CG 3.89Å; L1947-L1990 HydrophobicContact CG-CD2 4.46Å; L1947-M1993 HydrophobicContact CD1-CE 3.93Å; L1947-M1993 HydrophobicContact CD1-SD 3.76Å; L1947-M1993 HydrophobicContact CD2-CE 4.08Å; L1947-M1993 HydrophobicContact CD2-SD 3.67Å; L1947-M1993 HydrophobicContact CG-CE 4.4Å; L1947-M1993 HydrophobicContact CG-SD 4.22Å |
| 1948 | G | 92.3 | Very high | 90.8 | Very high | 12.8 Ų | 12.8 | 51.6 Ų | 51.6 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -50.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1944 E1945 S1950 L1951 V1952 | R1944-G1948 PolarHBondContact O-N 3.27Å; E1945-G1948 PolarHBondContact O-N 3.26Å; E1945-G1948 VanDerWaalsContact O-N 3.16Å; G1948-S1950 PolarHBondContact O-N 2.99Å; G1948-L1951 PolarHBondContact O-N 3.37Å; G1948-V1952 WeakPolarHBondContact O-CB 3.48Å; G1948-V1952 VanDerWaalsContact O-CG2 3.28Å; G1948-V1952 WeakPolarHBondContact O-CG2 3.38Å; G1948-V1952 PolarHBondContact O-N 3.11Å; G1948-V1952 VanDerWaalsContact O-N 3.08Å |
| 1949 | M | 91.1 | Very high | 90.4 | Very high | 122.2 Ų | 122.2 | 48.8 Ų | 48.8 | 60% | 0.602 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 179 | -66.2 | -63.2 | -122.8 | 0 | 0 | 112.6 | E1945 L1947 T1953 | E1945-M1949 WeakPolarHBondContact O-CG 3.34Å; E1945-M1949 PolarHBondContact O-N 3.15Å; E1945-M1949 VanDerWaalsContact O-N 3.1Å; E1945-M1949 WeakPolarHBondContact OE1-CE 3.4Å; L1947-M1949 PolarHBondContact O-N 2.99Å; M1949-T1953 VanDerWaalsContact O-CB 3.31Å; M1949-T1953 WeakPolarHBondContact O-CB 3.32Å; M1949-T1953 PolarHBondContact O-N 3.01Å; M1949-T1953 PolarHBondContact O-OG1 3.17Å |
| 1950 | S | 91.2 | Very high | 90 | Very high | 26.6 Ų | 26.6 | 52 Ų | 52 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | A1886 A1946 L1947 G1948 V1952 T1953 S1954 | A1886-S1950 WeakPolarHBondContact CB-OG 3.37Å; A1946-S1950 VanDerWaalsContact O-CB 3.27Å; A1946-S1950 WeakPolarHBondContact O-CB 3.4Å; A1946-S1950 PolarHBondContact O-N 2.87Å; L1947-S1950 PolarHBondContact O-N 3.19Å; G1948-S1950 PolarHBondContact O-N 2.99Å; S1950-V1952 PolarHBondContact O-N 2.94Å; S1950-T1953 PolarHBondContact O-N 3.14Å; S1950-S1954 VanDerWaalsContact O-CB 3.26Å; S1950-S1954 WeakPolarHBondContact O-CB 3.34Å; S1950-S1954 PolarHBondContact O-N 3.26Å |
| 1951 | L | 93.1 | Very high | 89.6 | Confident | 0.6 Ų | 0.6 | 54.6 Ų | 54.6 | 0% | 0.003 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 177.5 | -71.1 | 171.4 | 0 | 0 | 0 | 111.7 | V1883 A1886 L1947 G1948 T1953 S1954 L1955 V1982 M1986 C1989 | V1883-L1951 HydrophobicContact CB-CD2 4.14Å; V1883-L1951 HydrophobicContact CG1-CD2 3.89Å; V1883-L1951 HydrophobicContact CG2-CD2 4.06Å; A1886-L1951 HydrophobicContact CB-CD2 3.87Å; A1886-L1951 HydrophobicContact CB-CG 4.4Å; L1947-L1951 HydrophobicContact CD1-CD1 3.97Å; L1947-L1951 HydrophobicContact CD1-CD2 4.33Å; L1947-L1951 HydrophobicContact CD1-CG 3.85Å; L1947-L1951 HydrophobicContact CD2-CD1 4.38Å; L1947-L1951 HydrophobicContact CG-CD1 3.77Å; L1947-L1951 HydrophobicContact CG-CG 4.13Å; L1947-L1951 VanDerWaalsContact O-CB 3.26Å; L1947-L1951 WeakPolarHBondContact O-CB 3.39Å; L1947-L1951 VanDerWaalsContact O-CG 3.23Å; L1947-L1951 WeakPolarHBondContact O-CG 3.44Å; L1947-L1951 PolarHBondContact O-N 3.01Å; G1948-L1951 PolarHBondContact O-N 3.37Å; L1951-T1953 VanDerWaalsContact C-N 3.31Å; L1951-T1953 PolarHBondContact O-N 3.22Å; L1951-S1954 PolarHBondContact O-N 3.02Å; L1951-L1955 VanDerWaalsContact O-CB 3.31Å; L1951-L1955 WeakPolarHBondContact O-CB 3.37Å; L1951-L1955 WeakPolarHBondContact O-CD1 3.33Å; L1951-L1955 VanDerWaalsContact O-CG 3.26Å; L1951-L1955 WeakPolarHBondContact O-CG 3.26Å; L1951-L1955 PolarHBondContact O-N 3.15Å; L1951-V1982 HydrophobicContact CB-CG1 4.31Å; L1951-V1982 HydrophobicContact CB-CG2 3.59Å; L1951-V1982 HydrophobicContact CD1-CG1 4.35Å; L1951-M1986 HydrophobicContact CD1-SD 4.11Å; L1951-C1989 HydrophobicContact CD1-CB 4.33Å |
| 1952 | V | 92.6 | Very high | 89.1 | Confident | 11.6 Ų | 11.6 | 50.7 Ų | 50.7 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 178.7 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | G1948 S1950 K1956 Y1979 V1982 | G1948-V1952 WeakPolarHBondContact O-CB 3.48Å; G1948-V1952 VanDerWaalsContact O-CG2 3.28Å; G1948-V1952 WeakPolarHBondContact O-CG2 3.38Å; G1948-V1952 PolarHBondContact O-N 3.11Å; G1948-V1952 VanDerWaalsContact O-N 3.08Å; S1950-V1952 PolarHBondContact O-N 2.94Å; V1952-K1956 HydrophobicContact CG1-CD 4.2Å; V1952-K1956 VanDerWaalsContact CG1-CE 3.47Å; V1952-K1956 VanDerWaalsContact CG1-NZ 3.33Å; V1952-K1956 WeakPolarHBondContact O-CB 3.4Å; V1952-K1956 WeakPolarHBondContact O-CD 3.33Å; V1952-K1956 VanDerWaalsContact O-CE 3.3Å; V1952-K1956 WeakPolarHBondContact O-CE 3.41Å; V1952-K1956 VanDerWaalsContact O-CG 3.28Å; V1952-K1956 WeakPolarHBondContact O-CG 3.36Å; V1952-K1956 PolarHBondContact O-N 3.12Å; V1952-K1956 VanDerWaalsContact O-N 3.16Å; V1952-Y1979 HydrophobicContact CB-CE1 4.5Å; V1952-Y1979 HydrophobicContact CG1-CD1 4.36Å; V1952-Y1979 HydrophobicContact CG1-CE1 3.87Å; V1952-Y1979 HydrophobicContact CG2-CD1 3.89Å; V1952-Y1979 HydrophobicContact CG2-CE1 3.89Å; V1952-V1982 HydrophobicContact CB-CG2 4.48Å; V1952-V1982 HydrophobicContact CG2-CB 4.12Å; V1952-V1982 HydrophobicContact CG2-CG1 4.16Å; V1952-V1982 HydrophobicContact CG2-CG2 3.75Å |
| 1953 | T | 91.3 | Very high | 88.5 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.8 | -45.5 | -179 | -55 | 0 | 0 | 0 | 0 | 112 | M1949 S1950 L1951 L1955 K1956 N1957 | M1949-T1953 VanDerWaalsContact O-CB 3.31Å; M1949-T1953 WeakPolarHBondContact O-CB 3.32Å; M1949-T1953 PolarHBondContact O-N 3.01Å; M1949-T1953 PolarHBondContact O-OG1 3.17Å; S1950-T1953 PolarHBondContact O-N 3.14Å; L1951-T1953 VanDerWaalsContact C-N 3.31Å; L1951-T1953 PolarHBondContact O-N 3.22Å; T1953-L1955 PolarHBondContact O-N 3.26Å; T1953-K1956 PolarHBondContact O-N 3.14Å; T1953-N1957 WeakPolarHBondContact O-CB 3.38Å; T1953-N1957 VanDerWaalsContact O-CG 3.25Å; T1953-N1957 PolarHBondContact O-N 3.16Å; T1953-N1957 PolarHBondContact O-ND2 3.22Å |
| 1954 | S | 88.6 | Confident | 87.4 | Confident | 21.4 Ų | 21.4 | 57.6 Ų | 57.6 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 178 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | A1882 S1950 L1951 N1957 I1958 | A1882-S1954 PolarHBondContact O-OG 3.03Å; S1950-S1954 VanDerWaalsContact O-CB 3.26Å; S1950-S1954 WeakPolarHBondContact O-CB 3.34Å; S1950-S1954 PolarHBondContact O-N 3.26Å; L1951-S1954 PolarHBondContact O-N 3.02Å; S1954-N1957 PolarHBondContact O-N 3Å; S1954-I1958 WeakPolarHBondContact O-CB 3.42Å; S1954-I1958 WeakPolarHBondContact O-CD1 3.43Å; S1954-I1958 WeakPolarHBondContact O-CG1 3.45Å; S1954-I1958 PolarHBondContact O-N 3.21Å; S1954-I1958 VanDerWaalsContact O-N 3.09Å |
| 1955 | L | 90.3 | Very high | 86 | Confident | 1.6 Ų | 1.6 | 55 Ų | 55 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 179.2 | -70.5 | 171.6 | 0 | 0 | 0 | 111.9 | I1879 A1882 V1883 L1951 T1953 N1957 I1958 I1959 A1978 V1981 V1982 | I1879-L1955 HydrophobicContact CB-CD2 4.35Å; I1879-L1955 HydrophobicContact CG1-CD2 4.16Å; I1879-L1955 HydrophobicContact CG2-CD2 3.99Å; A1882-L1955 HydrophobicContact CB-CD2 3.94Å; V1883-L1955 HydrophobicContact CG2-CD2 4.26Å; L1951-L1955 VanDerWaalsContact O-CB 3.31Å; L1951-L1955 WeakPolarHBondContact O-CB 3.37Å; L1951-L1955 WeakPolarHBondContact O-CD1 3.33Å; L1951-L1955 VanDerWaalsContact O-CG 3.26Å; L1951-L1955 WeakPolarHBondContact O-CG 3.26Å; L1951-L1955 PolarHBondContact O-N 3.15Å; T1953-L1955 PolarHBondContact O-N 3.26Å; L1955-N1957 VanDerWaalsContact C-N 3.34Å; L1955-N1957 PolarHBondContact O-N 3.34Å; L1955-I1958 PolarHBondContact O-N 3.23Å; L1955-I1959 HydrophobicContact CB-CD1 4.4Å; L1955-I1959 WeakPolarHBondContact O-CB 3.28Å; L1955-I1959 VanDerWaalsContact O-CD1 3.31Å; L1955-I1959 WeakPolarHBondContact O-CD1 3.41Å; L1955-I1959 WeakPolarHBondContact O-CG1 3.33Å; L1955-I1959 PolarHBondContact O-N 3.03Å; L1955-A1978 HydrophobicContact CB-CB 4.1Å; L1955-V1981 HydrophobicContact CD1-CB 4.04Å; L1955-V1981 HydrophobicContact CD1-CG1 3.71Å; L1955-V1981 HydrophobicContact CD2-CG1 4.31Å; L1955-V1982 HydrophobicContact CD1-CG2 3.69Å |
| 1956 | K | 89.1 | Confident | 84.9 | Confident | 46.2 Ų | 46.2 | 48.8 Ų | 48.8 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.4 | -49.4 | 175.3 | -79 | 175.9 | -155.7 | -177.5 | 0 | 112.1 | V1952 T1953 I1958 I1959 L1960 V1974 Q1975 A1978 | V1952-K1956 HydrophobicContact CG1-CD 4.2Å; V1952-K1956 VanDerWaalsContact CG1-CE 3.47Å; V1952-K1956 VanDerWaalsContact CG1-NZ 3.33Å; V1952-K1956 WeakPolarHBondContact O-CB 3.4Å; V1952-K1956 WeakPolarHBondContact O-CD 3.33Å; V1952-K1956 VanDerWaalsContact O-CE 3.3Å; V1952-K1956 WeakPolarHBondContact O-CE 3.41Å; V1952-K1956 VanDerWaalsContact O-CG 3.28Å; V1952-K1956 WeakPolarHBondContact O-CG 3.36Å; V1952-K1956 PolarHBondContact O-N 3.12Å; V1952-K1956 VanDerWaalsContact O-N 3.16Å; T1953-K1956 PolarHBondContact O-N 3.14Å; K1956-I1958 VanDerWaalsContact C-N 3.33Å; K1956-I1958 PolarHBondContact O-N 2.92Å; K1956-I1959 PolarHBondContact O-N 3.26Å; K1956-L1960 VanDerWaalsContact O-CB 3.28Å; K1956-L1960 WeakPolarHBondContact O-CB 3.22Å; K1956-L1960 VanDerWaalsContact O-CG 3.25Å; K1956-L1960 WeakPolarHBondContact O-CG 3.33Å; K1956-L1960 PolarHBondContact O-N 3.12Å; K1956-V1974 HydrophobicContact CG-CG1 4.45Å; K1956-Q1975 VanDerWaalsContact CD-OE1 3.3Å; K1956-Q1975 VanDerWaalsContact NZ-CD 3.32Å; K1956-Q1975 VanDerWaalsContact NZ-NE2 3.15Å; K1956-A1978 HydrophobicContact CG-CB 3.88Å |
| 1957 | N | 88.6 | Confident | 84.1 | Confident | 92.2 Ų | 92.2 | 50.5 Ų | 50.5 | 49% | 0.493 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | -176.3 | -70.7 | -13.6 | 0 | 0 | 0 | 111.4 | T1953 S1954 L1955 T1961 | T1953-N1957 WeakPolarHBondContact O-CB 3.38Å; T1953-N1957 VanDerWaalsContact O-CG 3.25Å; T1953-N1957 PolarHBondContact O-N 3.16Å; T1953-N1957 PolarHBondContact O-ND2 3.22Å; S1954-N1957 PolarHBondContact O-N 3Å; L1955-N1957 VanDerWaalsContact C-N 3.34Å; L1955-N1957 PolarHBondContact O-N 3.34Å; N1957-T1961 WeakPolarHBondContact O-CB 3.3Å; N1957-T1961 PolarHBondContact O-N 3.08Å; N1957-T1961 VanDerWaalsContact O-N 3.08Å; N1957-T1961 PolarHBondContact O-OG1 3.04Å |
| 1958 | I | 86.5 | Confident | 83.3 | Confident | 33.6 Ų | 33.6 | 56.4 Ų | 56.4 | 17% | 0.172 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 180 | -74.8 | 167.2 | 0 | 0 | 0 | 111.6 | L1878 A1882 S1954 L1955 K1956 T1961 E1962 | L1878-I1958 HydrophobicContact CB-CG2 3.7Å; L1878-I1958 HydrophobicContact CD1-CG2 4.23Å; L1878-I1958 HydrophobicContact CG-CG2 4.47Å; A1882-I1958 HydrophobicContact CB-CD1 3.31Å; A1882-I1958 VanDerWaalsContact CB-CD1 3.44Å; A1882-I1958 HydrophobicContact CB-CG2 4.49Å; S1954-I1958 WeakPolarHBondContact O-CB 3.42Å; S1954-I1958 WeakPolarHBondContact O-CD1 3.43Å; S1954-I1958 WeakPolarHBondContact O-CG1 3.45Å; S1954-I1958 PolarHBondContact O-N 3.21Å; S1954-I1958 VanDerWaalsContact O-N 3.09Å; L1955-I1958 PolarHBondContact O-N 3.23Å; K1956-I1958 VanDerWaalsContact C-N 3.33Å; K1956-I1958 PolarHBondContact O-N 2.92Å; I1958-T1961 PolarHBondContact O-N 3.13Å; I1958-E1962 PolarHBondContact O-N 3.2Å; I1958-E1962 VanDerWaalsContact O-N 3.16Å |
| 1959 | I | 84.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | 178.8 | -61.2 | 161.3 | 0 | 0 | 0 | 110.5 | L1868 L1875 L1955 K1956 T1961 E1962 V1963 V1974 L1977 | L1868-I1959 HydrophobicContact CD2-CG2 4.08Å; L1875-I1959 HydrophobicContact CD1-CG2 4.07Å; L1875-I1959 HydrophobicContact CD2-CB 4.25Å; L1875-I1959 HydrophobicContact CD2-CG1 4.17Å; L1875-I1959 HydrophobicContact CD2-CG2 4.07Å; L1955-I1959 HydrophobicContact CB-CD1 4.4Å; L1955-I1959 WeakPolarHBondContact O-CB 3.28Å; L1955-I1959 VanDerWaalsContact O-CD1 3.31Å; L1955-I1959 WeakPolarHBondContact O-CD1 3.41Å; L1955-I1959 WeakPolarHBondContact O-CG1 3.33Å; L1955-I1959 PolarHBondContact O-N 3.03Å; K1956-I1959 PolarHBondContact O-N 3.26Å; I1959-T1961 VanDerWaalsContact C-N 3.28Å; I1959-T1961 PolarHBondContact O-N 3.19Å; I1959-E1962 PolarHBondContact O-N 3.11Å; I1959-V1963 HydrophobicContact CG2-CG2 4.45Å; I1959-V1963 VanDerWaalsContact O-CG2 3.3Å; I1959-V1963 WeakPolarHBondContact O-CG2 3.41Å; I1959-V1963 PolarHBondContact O-N 2.87Å; I1959-V1963 VanDerWaalsContact O-N 3.13Å; I1959-V1974 HydrophobicContact CB-CG1 3.77Å; I1959-V1974 HydrophobicContact CB-CG2 4.49Å; I1959-V1974 HydrophobicContact CD1-CG1 4.39Å; I1959-V1974 HydrophobicContact CG2-CB 4.15Å; I1959-V1974 HydrophobicContact CG2-CG1 3.62Å; I1959-V1974 HydrophobicContact CG2-CG2 3.51Å; I1959-V1974 VanDerWaalsContact CG2-CG2 3.49Å; I1959-L1977 HydrophobicContact CD1-CD2 3.98Å; I1959-L1977 HydrophobicContact CD1-CG 4.19Å |
| 1960 | L | 84.8 | Confident | 81.6 | Confident | 67.8 Ų | 67.8 | 60.6 Ų | 60.6 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.7 | -29.6 | 177.4 | -109.3 | 133.9 | 0 | 0 | 0 | 112.9 | K1956 V1963 A1966 K1971 V1974 | K1956-L1960 VanDerWaalsContact O-CB 3.28Å; K1956-L1960 WeakPolarHBondContact O-CB 3.22Å; K1956-L1960 VanDerWaalsContact O-CG 3.25Å; K1956-L1960 WeakPolarHBondContact O-CG 3.33Å; K1956-L1960 PolarHBondContact O-N 3.12Å; L1960-V1963 CarbonylContact O-C 3.44Å; L1960-V1963 VanDerWaalsContact O-O 3.05Å; L1960-A1966 HydrophobicContact CD1-CB 3.71Å; L1960-A1966 HydrophobicContact CD2-CB 4.15Å; L1960-K1971 HydrophobicContact CD1-CG 3.94Å; L1960-K1971 HydrophobicContact CD2-CG 4.11Å; L1960-V1974 HydrophobicContact CD2-CB 4.47Å; L1960-V1974 HydrophobicContact CD2-CG1 4.3Å; L1960-V1974 HydrophobicContact CD2-CG2 4.44Å; L1960-V1974 HydrophobicContact CG-CG1 4.1Å |
| 1961 | T | 83 | Confident | 81.1 | Confident | 103.2 Ų | 103.2 | 65 Ų | 65 | 63% | 0.633 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.9 | -38.5 | 177 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | N1957 I1958 I1959 Q1964 | N1957-T1961 WeakPolarHBondContact O-CB 3.3Å; N1957-T1961 PolarHBondContact O-N 3.08Å; N1957-T1961 VanDerWaalsContact O-N 3.08Å; N1957-T1961 PolarHBondContact O-OG1 3.04Å; I1958-T1961 PolarHBondContact O-N 3.13Å; I1959-T1961 VanDerWaalsContact C-N 3.28Å; I1959-T1961 PolarHBondContact O-N 3.19Å; T1961-Q1964 PolarHBondContact O-N 3.16Å |
| 1962 | E | 79.4 | Confident | 80.5 | Confident | 54.8 Ų | 54.8 | 70.5 Ų | 70.5 | 26% | 0.256 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75 | -33.6 | 177.7 | -136.5 | 35.5 | 166 | 0 | 0 | 112.3 | R1874 L1875 L1878 I1958 I1959 Q1964 | R1874-E1962 VanDerWaalsContact CB-OE1 3.26Å; R1874-E1962 WeakPolarHBondContact CB-OE1 3.29Å; R1874-E1962 VanDerWaalsContact CD-OE1 3.3Å; R1874-E1962 WeakPolarHBondContact CD-OE1 3.36Å; R1874-E1962 IonicContact CZ-OE1 3.42Å; R1874-E1962 IonicContact CZ-OE2 3.58Å; R1874-E1962 IonicContact NE-OE1 3.52Å; R1874-E1962 VanDerWaalsContact NH1-CD 3.29Å; R1874-E1962 IonicContact NH1-OE1 3.33Å; R1874-E1962 PolarHBondContact NH1-OE1 3.27Å; R1874-E1962 IonicContact NH1-OE2 3.35Å; R1874-E1962 PolarHBondContact NH1-OE2 3.05Å; R1874-E1962 VanDerWaalsContact NH1-OE2 3.1Å; L1875-E1962 HydrophobicContact CD2-CB 3.72Å; L1875-E1962 HydrophobicContact CD2-CG 3.93Å; L1875-E1962 HydrophobicContact CG-CG 4.41Å; L1878-E1962 HydrophobicContact CD1-CB 4.23Å; L1878-E1962 HydrophobicContact CD1-CG 3.94Å; L1878-E1962 VanDerWaalsContact CD1-CG 3.45Å; I1958-E1962 PolarHBondContact O-N 3.2Å; I1958-E1962 VanDerWaalsContact O-N 3.16Å; I1959-E1962 PolarHBondContact O-N 3.11Å; E1962-Q1964 VanDerWaalsContact C-N 3.27Å; E1962-Q1964 PolarHBondContact O-N 3.33Å |
| 1963 | V | 75.7 | Confident | 79.8 | Confident | 15.8 Ų | 15.8 | 70.2 Ų | 70.2 | 10% | 0.096 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -78.3 | 43.2 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | L1868 I1959 L1960 S1965 A1966 | L1868-V1963 HydrophobicContact CD2-CG2 4.14Å; I1959-V1963 HydrophobicContact CG2-CG2 4.45Å; I1959-V1963 VanDerWaalsContact O-CG2 3.3Å; I1959-V1963 WeakPolarHBondContact O-CG2 3.41Å; I1959-V1963 PolarHBondContact O-N 2.87Å; I1959-V1963 VanDerWaalsContact O-N 3.13Å; L1960-V1963 CarbonylContact O-C 3.44Å; L1960-V1963 VanDerWaalsContact O-O 3.05Å; V1963-S1965 PolarHBondContact O-N 3.05Å; V1963-S1965 VanDerWaalsContact O-N 3.08Å; V1963-A1966 HydrophobicContact CB-CB 4.33Å; V1963-A1966 HydrophobicContact CG1-CB 3.78Å; V1963-A1966 PolarHBondContact O-N 3.09Å; V1963-A1966 VanDerWaalsContact O-N 3.14Å |
| 1964 | Q | 67.4 | Low | 79.4 | Confident | 173.8 Ų | 173.8 | 67 Ų | 67 | 81% | 0.812 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -14.3 | 14.5 | 178.7 | -140.5 | 107.7 | 35.7 | 0 | 0 | 114.3 | T1961 E1962 | T1961-Q1964 PolarHBondContact O-N 3.16Å; E1962-Q1964 VanDerWaalsContact C-N 3.27Å; E1962-Q1964 PolarHBondContact O-N 3.33Å |
| 1965 | S | 63.9 | Low | 79.1 | Confident | 108.6 Ų | 108.6 | 68.4 Ų | 68.4 | 76% | 0.759 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 165.7 | 54.8 | -179.6 | 43.5 | 0 | 0 | 0 | 0 | 114.2 | V1963 T1967 | V1963-S1965 PolarHBondContact O-N 3.05Å; V1963-S1965 VanDerWaalsContact O-N 3.08Å; S1965-T1967 PolarHBondContact O-N 3.11Å |
| 1966 | A | 66.3 | Low | 78.7 | Confident | 17.6 Ų | 17.6 | 72.2 Ų | 72.2 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | trans | -60.6 | 122.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1960 V1963 E1970 K1971 | L1960-A1966 HydrophobicContact CD1-CB 3.71Å; L1960-A1966 HydrophobicContact CD2-CB 4.15Å; V1963-A1966 HydrophobicContact CB-CB 4.33Å; V1963-A1966 HydrophobicContact CG1-CB 3.78Å; V1963-A1966 PolarHBondContact O-N 3.09Å; V1963-A1966 VanDerWaalsContact O-N 3.14Å; A1966-E1970 VanDerWaalsContact CA-OE2 3.32Å; A1966-E1970 WeakPolarHBondContact CA-OE2 3.42Å; A1966-E1970 HydrophobicContact CB-CB 4.01Å; A1966-K1971 HydrophobicContact CB-CG 3.98Å; A1966-K1971 VanDerWaalsContact O-CE 3.24Å; A1966-K1971 WeakPolarHBondContact O-CE 3.27Å | ||
| 1967 | T | 74.5 | Confident | 78.3 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | trans | -61.2 | 165.5 | 167.3 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | S1965 Q1969 E1970 K1971 | S1965-T1967 PolarHBondContact O-N 3.11Å; T1967-Q1969 VanDerWaalsContact C-N 3.28Å; T1967-Q1969 PolarHBondContact O-N 3.23Å; T1967-E1970 VanDerWaalsContact CB-OE2 3.27Å; T1967-E1970 WeakPolarHBondContact CB-OE2 3.36Å; T1967-E1970 VanDerWaalsContact CG2-OE2 3.28Å; T1967-E1970 WeakPolarHBondContact CG2-OE2 3.41Å; T1967-E1970 PolarHBondContact N-OE2 3.12Å; T1967-E1970 WeakPolarHBondContact O-CB 3.38Å; T1967-E1970 PolarHBondContact O-N 3.25Å; T1967-E1970 WeakPolarHBondContact OG1-CB 3.38Å; T1967-E1970 VanDerWaalsContact OG1-CD 3.28Å; T1967-E1970 VanDerWaalsContact OG1-CG 3.24Å; T1967-E1970 WeakPolarHBondContact OG1-CG 3.39Å; T1967-E1970 PolarHBondContact OG1-N 3.28Å; T1967-E1970 PolarHBondContact OG1-OE2 3.08Å; T1967-K1971 WeakPolarHBondContact O-CG 3.45Å; T1967-K1971 PolarHBondContact O-N 3.06Å | ||
| 1968 | V | 76.4 | Confident | 78.3 | Confident | 124.2 Ų | 124.2 | 65.7 Ų | 65.7 | 75% | 0.753 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.6 | -40.2 | 178.8 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | K1971 E1972 | V1968-K1971 PolarHBondContact O-N 3.27Å; V1968-E1972 PolarHBondContact O-N 3.03Å; V1968-E1972 VanDerWaalsContact O-N 3.15Å |
| 1969 | Q | 72.6 | Confident | 78.4 | Confident | 157.6 Ų | 157.6 | 69.8 Ų | 69.8 | 74% | 0.736 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 177.2 | -106 | -179.4 | -12.3 | 0 | 0 | 112.1 | T1967 E1972 A1973 | T1967-Q1969 VanDerWaalsContact C-N 3.28Å; T1967-Q1969 PolarHBondContact O-N 3.23Å; Q1969-E1972 PolarHBondContact O-N 3.18Å; Q1969-A1973 WeakPolarHBondContact O-CB 3.41Å; Q1969-A1973 PolarHBondContact O-N 3.11Å |
| 1970 | E | 74.6 | Confident | 78.3 | Confident | 65.6 Ų | 65.6 | 72 Ų | 72 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 174.9 | -72 | 165.5 | 138.7 | 0 | 0 | 111.6 | L1868 A1966 T1967 E1972 A1973 V1974 | L1868-E1970 HydrophobicContact CD1-CB 4.49Å; L1868-E1970 HydrophobicContact CD2-CG 4.33Å; A1966-E1970 VanDerWaalsContact CA-OE2 3.32Å; A1966-E1970 WeakPolarHBondContact CA-OE2 3.42Å; A1966-E1970 HydrophobicContact CB-CB 4.01Å; T1967-E1970 VanDerWaalsContact CB-OE2 3.27Å; T1967-E1970 WeakPolarHBondContact CB-OE2 3.36Å; T1967-E1970 VanDerWaalsContact CG2-OE2 3.28Å; T1967-E1970 WeakPolarHBondContact CG2-OE2 3.41Å; T1967-E1970 PolarHBondContact N-OE2 3.12Å; T1967-E1970 WeakPolarHBondContact O-CB 3.38Å; T1967-E1970 PolarHBondContact O-N 3.25Å; T1967-E1970 WeakPolarHBondContact OG1-CB 3.38Å; T1967-E1970 VanDerWaalsContact OG1-CD 3.28Å; T1967-E1970 VanDerWaalsContact OG1-CG 3.24Å; T1967-E1970 WeakPolarHBondContact OG1-CG 3.39Å; T1967-E1970 PolarHBondContact OG1-N 3.28Å; T1967-E1970 PolarHBondContact OG1-OE2 3.08Å; E1970-E1972 VanDerWaalsContact C-N 3.31Å; E1970-E1972 PolarHBondContact O-N 3.24Å; E1970-A1973 CarbonylContact O-C 3.53Å; E1970-A1973 PolarHBondContact O-N 3.15Å; E1970-A1973 VanDerWaalsContact O-N 3.15Å; E1970-V1974 WeakPolarHBondContact O-CB 3.4Å; E1970-V1974 VanDerWaalsContact O-CG2 3.26Å; E1970-V1974 WeakPolarHBondContact O-CG2 3.4Å; E1970-V1974 PolarHBondContact O-N 3.14Å |
| 1971 | K | 80.7 | Confident | 78.3 | Confident | 119 Ų | 119 | 69.1 Ų | 69.1 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 174.8 | -72.4 | 179.4 | -179.3 | 178 | 0 | 112.2 | L1960 A1966 T1967 V1968 V1974 Q1975 | L1960-K1971 HydrophobicContact CD1-CG 3.94Å; L1960-K1971 HydrophobicContact CD2-CG 4.11Å; A1966-K1971 HydrophobicContact CB-CG 3.98Å; A1966-K1971 VanDerWaalsContact O-CE 3.24Å; A1966-K1971 WeakPolarHBondContact O-CE 3.27Å; T1967-K1971 WeakPolarHBondContact O-CG 3.45Å; T1967-K1971 PolarHBondContact O-N 3.06Å; V1968-K1971 PolarHBondContact O-N 3.27Å; K1971-V1974 PolarHBondContact O-N 3.26Å; K1971-Q1975 WeakPolarHBondContact O-CB 3.39Å; K1971-Q1975 PolarHBondContact O-N 3.08Å |
| 1972 | E | 79.6 | Confident | 78.6 | Confident | 115.8 Ų | 115.8 | 64.7 Ų | 64.7 | 54% | 0.541 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 173.7 | -154.1 | 145.2 | -175.3 | 0 | 0 | 111.5 | V1968 Q1969 E1970 V1974 Q1975 Q1976 | V1968-E1972 PolarHBondContact O-N 3.03Å; V1968-E1972 VanDerWaalsContact O-N 3.15Å; Q1969-E1972 PolarHBondContact O-N 3.18Å; E1970-E1972 VanDerWaalsContact C-N 3.31Å; E1970-E1972 PolarHBondContact O-N 3.24Å; E1972-V1974 VanDerWaalsContact C-N 3.32Å; E1972-V1974 PolarHBondContact O-N 2.99Å; E1972-Q1975 VanDerWaalsContact O-CB 3.3Å; E1972-Q1975 WeakPolarHBondContact O-CB 3.35Å; E1972-Q1975 PolarHBondContact O-N 3.21Å; E1972-Q1975 VanDerWaalsContact O-N 3.12Å; E1972-Q1976 WeakPolarHBondContact O-CG 3.35Å; E1972-Q1976 PolarHBondContact O-N 3.15Å; E1972-Q1976 PolarHBondContact OE1-NE2 3.25Å |
| 1973 | A | 78.1 | Confident | 78.8 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1864 L1868 Q1969 E1970 Q1975 Q1976 L1977 | A1864-A1973 HydrophobicContact CB-CB 3.83Å; L1868-A1973 HydrophobicContact CD1-CB 3.59Å; L1868-A1973 VanDerWaalsContact CD1-CB 3.5Å; L1868-A1973 HydrophobicContact CG-CB 4.37Å; Q1969-A1973 WeakPolarHBondContact O-CB 3.41Å; Q1969-A1973 PolarHBondContact O-N 3.11Å; E1970-A1973 CarbonylContact O-C 3.53Å; E1970-A1973 PolarHBondContact O-N 3.15Å; E1970-A1973 VanDerWaalsContact O-N 3.15Å; A1973-Q1975 VanDerWaalsContact C-N 3.35Å; A1973-Q1976 PolarHBondContact O-N 3.3Å; A1973-L1977 VanDerWaalsContact O-CB 3.3Å; A1973-L1977 WeakPolarHBondContact O-CB 3.39Å; A1973-L1977 PolarHBondContact O-N 3.16Å |
| 1974 | V | 82.3 | Confident | 79.1 | Confident | 2.4 Ų | 2.4 | 68.3 Ų | 68.3 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 172.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L1868 K1956 I1959 L1960 E1970 K1971 E1972 Q1976 L1977 A1978 | L1868-V1974 HydrophobicContact CD1-CG2 3.79Å; L1868-V1974 HydrophobicContact CD2-CG2 4.36Å; K1956-V1974 HydrophobicContact CG-CG1 4.45Å; I1959-V1974 HydrophobicContact CB-CG1 3.77Å; I1959-V1974 HydrophobicContact CB-CG2 4.49Å; I1959-V1974 HydrophobicContact CD1-CG1 4.39Å; I1959-V1974 HydrophobicContact CG2-CB 4.15Å; I1959-V1974 HydrophobicContact CG2-CG1 3.62Å; I1959-V1974 HydrophobicContact CG2-CG2 3.51Å; I1959-V1974 VanDerWaalsContact CG2-CG2 3.49Å; L1960-V1974 HydrophobicContact CD2-CB 4.47Å; L1960-V1974 HydrophobicContact CD2-CG1 4.3Å; L1960-V1974 HydrophobicContact CD2-CG2 4.44Å; L1960-V1974 HydrophobicContact CG-CG1 4.1Å; E1970-V1974 WeakPolarHBondContact O-CB 3.4Å; E1970-V1974 VanDerWaalsContact O-CG2 3.26Å; E1970-V1974 WeakPolarHBondContact O-CG2 3.4Å; E1970-V1974 PolarHBondContact O-N 3.14Å; K1971-V1974 PolarHBondContact O-N 3.26Å; E1972-V1974 VanDerWaalsContact C-N 3.32Å; E1972-V1974 PolarHBondContact O-N 2.99Å; V1974-Q1976 VanDerWaalsContact C-N 3.35Å; V1974-Q1976 PolarHBondContact O-N 3.27Å; V1974-L1977 PolarHBondContact O-N 3.03Å; V1974-A1978 WeakPolarHBondContact O-CB 3.31Å; V1974-A1978 PolarHBondContact O-N 3.26Å |
| 1975 | Q | 84.1 | Confident | 80 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.8 | 177.2 | 73.1 | 58.4 | 0 | 0 | 111.5 | K1956 K1971 E1972 A1973 A1978 Y1979 | K1956-Q1975 VanDerWaalsContact CD-OE1 3.3Å; K1956-Q1975 VanDerWaalsContact NZ-CD 3.32Å; K1956-Q1975 VanDerWaalsContact NZ-NE2 3.15Å; K1971-Q1975 WeakPolarHBondContact O-CB 3.39Å; K1971-Q1975 PolarHBondContact O-N 3.08Å; E1972-Q1975 VanDerWaalsContact O-CB 3.3Å; E1972-Q1975 WeakPolarHBondContact O-CB 3.35Å; E1972-Q1975 PolarHBondContact O-N 3.21Å; E1972-Q1975 VanDerWaalsContact O-N 3.12Å; A1973-Q1975 VanDerWaalsContact C-N 3.35Å; Q1975-A1978 PolarHBondContact O-N 3.22Å; Q1975-Y1979 VanDerWaalsContact CD-CE2 3.44Å; Q1975-Y1979 HydrophobicContact CG-CD2 4.16Å; Q1975-Y1979 HydrophobicContact CG-CE2 3.87Å; Q1975-Y1979 VanDerWaalsContact NE2-CZ 3.29Å; Q1975-Y1979 PolarHBondContact NE2-OH 3.38Å; Q1975-Y1979 VanDerWaalsContact NE2-OH 3.12Å; Q1975-Y1979 VanDerWaalsContact O-CD2 3.27Å; Q1975-Y1979 WeakPolarHBondContact O-CD2 3.32Å; Q1975-Y1979 PolarHBondContact O-N 3.06Å; Q1975-Y1979 VanDerWaalsContact O-N 3.13Å |
| 1976 | Q | 80.9 | Confident | 81.2 | Confident | 81.2 Ų | 81.2 | 56.6 Ų | 56.6 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 177 | -65.8 | -60.8 | -22.7 | 0 | 0 | 111.8 | E1972 A1973 V1974 A1978 Y1979 L1980 | E1972-Q1976 WeakPolarHBondContact O-CG 3.35Å; E1972-Q1976 PolarHBondContact O-N 3.15Å; E1972-Q1976 PolarHBondContact OE1-NE2 3.25Å; A1973-Q1976 PolarHBondContact O-N 3.3Å; V1974-Q1976 VanDerWaalsContact C-N 3.35Å; V1974-Q1976 PolarHBondContact O-N 3.27Å; Q1976-A1978 PolarHBondContact O-N 2.95Å; Q1976-Y1979 PolarHBondContact O-N 3.22Å; Q1976-L1980 VanDerWaalsContact O-CB 3.28Å; Q1976-L1980 WeakPolarHBondContact O-CB 3.38Å; Q1976-L1980 PolarHBondContact O-N 3.28Å |
| 1977 | L | 81.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.3 | 178.8 | 56 | 0 | 0 | 0 | 111.8 | A1865 L1868 L1869 I1959 A1973 V1974 Y1979 L1980 V1981 | A1865-L1977 HydrophobicContact CB-CB 3.82Å; A1865-L1977 HydrophobicContact CB-CD1 4.37Å; L1868-L1977 HydrophobicContact CD2-CD2 4.24Å; L1869-L1977 HydrophobicContact CD1-CD1 3.6Å; L1869-L1977 HydrophobicContact CD1-CD2 4.42Å; L1869-L1977 HydrophobicContact CD2-CD1 4.25Å; L1869-L1977 HydrophobicContact CD2-CD2 4Å; L1869-L1977 HydrophobicContact CG-CD1 3.88Å; L1869-L1977 HydrophobicContact CG-CD2 3.85Å; I1959-L1977 HydrophobicContact CD1-CD2 3.98Å; I1959-L1977 HydrophobicContact CD1-CG 4.19Å; A1973-L1977 VanDerWaalsContact O-CB 3.3Å; A1973-L1977 WeakPolarHBondContact O-CB 3.39Å; A1973-L1977 PolarHBondContact O-N 3.16Å; V1974-L1977 PolarHBondContact O-N 3.03Å; L1977-Y1979 PolarHBondContact O-N 3.3Å; L1977-L1980 PolarHBondContact O-N 3.34Å; L1977-V1981 HydrophobicContact CD1-CG2 4.05Å; L1977-V1981 HydrophobicContact CG-CG2 4.48Å; L1977-V1981 WeakPolarHBondContact O-CG2 3.36Å; L1977-V1981 PolarHBondContact O-N 3.24Å |
| 1978 | A | 87.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1955 K1956 V1974 Q1975 Q1976 L1980 V1981 V1982 | L1955-A1978 HydrophobicContact CB-CB 4.1Å; K1956-A1978 HydrophobicContact CG-CB 3.88Å; V1974-A1978 WeakPolarHBondContact O-CB 3.31Å; V1974-A1978 PolarHBondContact O-N 3.26Å; Q1975-A1978 PolarHBondContact O-N 3.22Å; Q1976-A1978 PolarHBondContact O-N 2.95Å; A1978-L1980 VanDerWaalsContact C-N 3.33Å; A1978-L1980 PolarHBondContact O-N 3.04Å; A1978-V1981 PolarHBondContact O-N 3.17Å; A1978-V1982 VanDerWaalsContact O-CG2 3.31Å; A1978-V1982 WeakPolarHBondContact O-CG2 3.4Å; A1978-V1982 PolarHBondContact O-N 3.27Å |
| 1979 | Y | 88.4 | Confident | 83.8 | Confident | 120.6 Ų | 120.6 | 51 Ų | 51 | 47% | 0.473 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 176.9 | -76.4 | -52.9 | 0 | 0 | 0 | 113.1 | V1952 Q1975 Q1976 L1977 V1982 G1983 | V1952-Y1979 HydrophobicContact CB-CE1 4.5Å; V1952-Y1979 HydrophobicContact CG1-CD1 4.36Å; V1952-Y1979 HydrophobicContact CG1-CE1 3.87Å; V1952-Y1979 HydrophobicContact CG2-CD1 3.89Å; V1952-Y1979 HydrophobicContact CG2-CE1 3.89Å; Q1975-Y1979 VanDerWaalsContact CD-CE2 3.44Å; Q1975-Y1979 HydrophobicContact CG-CD2 4.16Å; Q1975-Y1979 HydrophobicContact CG-CE2 3.87Å; Q1975-Y1979 VanDerWaalsContact NE2-CZ 3.29Å; Q1975-Y1979 PolarHBondContact NE2-OH 3.38Å; Q1975-Y1979 VanDerWaalsContact NE2-OH 3.12Å; Q1975-Y1979 VanDerWaalsContact O-CD2 3.27Å; Q1975-Y1979 WeakPolarHBondContact O-CD2 3.32Å; Q1975-Y1979 PolarHBondContact O-N 3.06Å; Q1975-Y1979 VanDerWaalsContact O-N 3.13Å; Q1976-Y1979 PolarHBondContact O-N 3.22Å; L1977-Y1979 PolarHBondContact O-N 3.3Å; Y1979-V1982 PolarHBondContact O-N 3.16Å; Y1979-G1983 PolarHBondContact O-N 3.07Å |
| 1980 | L | 83.1 | Confident | 84.7 | Confident | 48.2 Ų | 48.2 | 44 Ų | 44 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 178 | -177.7 | 89.9 | 0 | 0 | 0 | 112 | L1844 F1866 Q1976 L1977 A1978 G1983 K1984 | L1844-L1980 HydrophobicContact CD1-CD2 4.03Å; L1844-L1980 HydrophobicContact CD1-CG 4.17Å; L1844-L1980 HydrophobicContact CD2-CD2 3.91Å; F1866-L1980 HydrophobicContact CE2-CD2 4.26Å; F1866-L1980 HydrophobicContact CZ-CD2 4.09Å; Q1976-L1980 VanDerWaalsContact O-CB 3.28Å; Q1976-L1980 WeakPolarHBondContact O-CB 3.38Å; Q1976-L1980 PolarHBondContact O-N 3.28Å; L1977-L1980 PolarHBondContact O-N 3.34Å; A1978-L1980 VanDerWaalsContact C-N 3.33Å; A1978-L1980 PolarHBondContact O-N 3.04Å; L1980-G1983 PolarHBondContact O-N 3.43Å; L1980-K1984 WeakPolarHBondContact O-CG 3.34Å; L1980-K1984 PolarHBondContact O-N 3.13Å; L1980-K1984 VanDerWaalsContact O-N 3.09Å |
| 1981 | V | 84.9 | Confident | 85.6 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L1839 L1841 I1879 L1955 L1977 A1978 G1983 K1984 S1985 | L1839-V1981 HydrophobicContact CD2-CG1 4Å; L1841-V1981 HydrophobicContact CD2-CG2 4.45Å; I1879-V1981 HydrophobicContact CG2-CG1 4.01Å; L1955-V1981 HydrophobicContact CD1-CB 4.04Å; L1955-V1981 HydrophobicContact CD1-CG1 3.71Å; L1955-V1981 HydrophobicContact CD2-CG1 4.31Å; L1977-V1981 HydrophobicContact CD1-CG2 4.05Å; L1977-V1981 HydrophobicContact CG-CG2 4.48Å; L1977-V1981 WeakPolarHBondContact O-CG2 3.36Å; L1977-V1981 PolarHBondContact O-N 3.24Å; A1978-V1981 PolarHBondContact O-N 3.17Å; V1981-G1983 PolarHBondContact O-N 2.96Å; V1981-K1984 PolarHBondContact O-N 3.28Å; V1981-S1985 VanDerWaalsContact O-CB 3.31Å; V1981-S1985 WeakPolarHBondContact O-CB 3.25Å; V1981-S1985 PolarHBondContact O-N 3.27Å; V1981-S1985 PolarHBondContact O-OG 3.13Å |
| 1982 | V | 88.6 | Confident | 86.2 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L1951 V1952 L1955 A1978 Y1979 K1984 S1985 M1986 | L1951-V1982 HydrophobicContact CB-CG1 4.31Å; L1951-V1982 HydrophobicContact CB-CG2 3.59Å; L1951-V1982 HydrophobicContact CD1-CG1 4.35Å; V1952-V1982 HydrophobicContact CB-CG2 4.48Å; V1952-V1982 HydrophobicContact CG2-CB 4.12Å; V1952-V1982 HydrophobicContact CG2-CG1 4.16Å; V1952-V1982 HydrophobicContact CG2-CG2 3.75Å; L1955-V1982 HydrophobicContact CD1-CG2 3.69Å; A1978-V1982 VanDerWaalsContact O-CG2 3.31Å; A1978-V1982 WeakPolarHBondContact O-CG2 3.4Å; A1978-V1982 PolarHBondContact O-N 3.27Å; Y1979-V1982 PolarHBondContact O-N 3.16Å; V1982-K1984 VanDerWaalsContact C-N 3.31Å; V1982-K1984 PolarHBondContact O-N 3.13Å; V1982-K1984 VanDerWaalsContact O-N 3.13Å; V1982-S1985 PolarHBondContact O-N 3.16Å; V1982-S1985 VanDerWaalsContact O-N 3.16Å; V1982-M1986 HydrophobicContact CG1-CB 4.29Å; V1982-M1986 HydrophobicContact CG1-CE 4.41Å; V1982-M1986 HydrophobicContact CG1-SD 4.42Å; V1982-M1986 WeakPolarHBondContact O-CA 3.41Å; V1982-M1986 WeakPolarHBondContact O-CB 3.33Å; V1982-M1986 PolarHBondContact O-N 3.26Å |
| 1983 | G | 85.2 | Confident | 86.8 | Confident | 50.8 Ų | 50.8 | 31.7 Ų | 31.7 | 52% | 0.524 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -55.5 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1820 Y1979 L1980 V1981 | F1820-G1983 WeakPolarHBondContact CE1-O 3.46Å; F1820-G1983 VanDerWaalsContact CZ-C 3.41Å; F1820-G1983 WeakPolarHBondContact CZ-O 3.25Å; Y1979-G1983 PolarHBondContact O-N 3.07Å; L1980-G1983 PolarHBondContact O-N 3.43Å; V1981-G1983 PolarHBondContact O-N 2.96Å |
| 1984 | K | 81.1 | Confident | 87.5 | Confident | 94.6 Ų | 94.6 | 31.6 Ų | 31.6 | 41% | 0.411 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -83.3 | -39.6 | 175.4 | -69.5 | -138.8 | 178.1 | -169.2 | 0 | 114.1 | F1820 C1838 L1844 L1980 V1981 V1982 | F1820-K1984 HydrophobicContact CZ-CD 4.19Å; C1838-K1984 PolarHBondContact SG-O 3.26Å; C1838-K1984 VanDerWaalsContact SG-O 3.39Å; L1844-K1984 HydrophobicContact CD1-CB 3.55Å; L1844-K1984 HydrophobicContact CD1-CD 3.9Å; L1844-K1984 HydrophobicContact CD1-CG 4.47Å; L1844-K1984 HydrophobicContact CD2-CB 4.2Å; L1844-K1984 HydrophobicContact CD2-CD 4.42Å; L1844-K1984 HydrophobicContact CG-CB 3.87Å; L1844-K1984 HydrophobicContact CG-CD 4.12Å; L1980-K1984 WeakPolarHBondContact O-CG 3.34Å; L1980-K1984 PolarHBondContact O-N 3.13Å; L1980-K1984 VanDerWaalsContact O-N 3.09Å; V1981-K1984 PolarHBondContact O-N 3.28Å; V1982-K1984 VanDerWaalsContact C-N 3.31Å; V1982-K1984 PolarHBondContact O-N 3.13Å; V1982-K1984 VanDerWaalsContact O-N 3.13Å |
| 1985 | S | 85.4 | Confident | 88 | Confident | 1.4 Ų | 1.4 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -88.2 | -21 | -172.5 | 63.9 | 0 | 0 | 0 | 0 | 114.3 | V1981 V1982 H1987 V1988 C1989 | V1981-S1985 VanDerWaalsContact O-CB 3.31Å; V1981-S1985 WeakPolarHBondContact O-CB 3.25Å; V1981-S1985 PolarHBondContact O-N 3.27Å; V1981-S1985 PolarHBondContact O-OG 3.13Å; V1982-S1985 PolarHBondContact O-N 3.16Å; V1982-S1985 VanDerWaalsContact O-N 3.16Å; S1985-H1987 VanDerWaalsContact C-N 3.33Å; S1985-H1987 PolarHBondContact O-N 3.27Å; S1985-V1988 PolarHBondContact O-N 3.15Å; S1985-V1988 VanDerWaalsContact O-N 3.12Å; S1985-C1989 PolarHBondContact O-N 3.1Å; S1985-C1989 PolarHBondContact O-SG 3.1Å |
| 1986 | M | 91 | Very high | 88.4 | Confident | 35.2 Ų | 35.2 | 32.3 Ų | 32.3 | 17% | 0.173 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.4 | -46.6 | -170.8 | 179.4 | 75.6 | 154.7 | 0 | 0 | 113.2 | R1944 L1947 L1951 V1982 V1988 C1989 L1990 | R1944-M1986 HydrophobicContact CG-CE 4.3Å; R1944-M1986 VanDerWaalsContact O-CE 3.22Å; R1944-M1986 WeakPolarHBondContact O-CE 3.34Å; L1947-M1986 HydrophobicContact CB-CE 4.25Å; L1947-M1986 HydrophobicContact CB-SD 4.5Å; L1947-M1986 HydrophobicContact CD2-SD 4.29Å; L1947-M1986 HydrophobicContact CG-CE 4.36Å; L1947-M1986 HydrophobicContact CG-SD 4.25Å; L1951-M1986 HydrophobicContact CD1-SD 4.11Å; V1982-M1986 HydrophobicContact CG1-CB 4.29Å; V1982-M1986 HydrophobicContact CG1-CE 4.41Å; V1982-M1986 HydrophobicContact CG1-SD 4.42Å; V1982-M1986 WeakPolarHBondContact O-CA 3.41Å; V1982-M1986 WeakPolarHBondContact O-CB 3.33Å; V1982-M1986 PolarHBondContact O-N 3.26Å; M1986-V1988 VanDerWaalsContact C-N 3.33Å; M1986-V1988 PolarHBondContact O-N 3.06Å; M1986-C1989 PolarHBondContact O-N 3.27Å; M1986-L1990 HydrophobicContact CE-CD1 4Å; M1986-L1990 HydrophobicContact CE-CD2 4.13Å; M1986-L1990 HydrophobicContact CE-CG 3.89Å; M1986-L1990 HydrophobicContact CG-CD1 3.99Å; M1986-L1990 HydrophobicContact CG-CG 4.38Å; M1986-L1990 VanDerWaalsContact O-CB 3.25Å; M1986-L1990 WeakPolarHBondContact O-CB 3.42Å; M1986-L1990 WeakPolarHBondContact O-CG 3.33Å; M1986-L1990 PolarHBondContact O-N 2.96Å; M1986-L1990 HydrophobicContact SD-CD1 3.94Å; M1986-L1990 HydrophobicContact SD-CG 3.94Å |
| 1987 | H | 89.5 | Confident | 89 | Confident | 83.6 Ų | 83.6 | 28.6 Ų | 28.6 | 39% | 0.387 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.2 | -42.2 | -178.2 | -171.3 | -89.2 | 0 | 0 | 0 | 112.1 | L1824 S1985 L1990 A1991 | L1824-H1987 WeakPolarHBondContact CD1-NE2 3.24Å; S1985-H1987 VanDerWaalsContact C-N 3.33Å; S1985-H1987 PolarHBondContact O-N 3.27Å; H1987-L1990 PolarHBondContact O-N 2.91Å; H1987-A1991 VanDerWaalsContact O-CB 3.29Å; H1987-A1991 WeakPolarHBondContact O-CB 3.38Å; H1987-A1991 PolarHBondContact O-N 3.09Å |
| 1988 | V | 89.5 | Confident | 89.6 | Confident | 19.4 Ų | 19.4 | 28.6 Ų | 28.6 | 12% | 0.118 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 178 | -173.9 | 0 | 0 | 0 | 0 | 111 | L1825 I1835 C1838 L1839 S1985 M1986 A1991 Y1992 | L1825-V1988 HydrophobicContact CD1-CB 4.4Å; L1825-V1988 HydrophobicContact CD1-CG1 4.25Å; L1825-V1988 HydrophobicContact CD1-CG2 4.18Å; I1835-V1988 HydrophobicContact CG1-CG1 4.19Å; C1838-V1988 HydrophobicContact CB-CB 4.37Å; C1838-V1988 HydrophobicContact CB-CG1 3.87Å; C1838-V1988 HydrophobicContact CB-CG2 3.94Å; L1839-V1988 HydrophobicContact CD2-CB 4.23Å; L1839-V1988 HydrophobicContact CD2-CG1 4.03Å; L1839-V1988 HydrophobicContact CG-CG1 4.06Å; S1985-V1988 PolarHBondContact O-N 3.15Å; S1985-V1988 VanDerWaalsContact O-N 3.12Å; M1986-V1988 VanDerWaalsContact C-N 3.33Å; M1986-V1988 PolarHBondContact O-N 3.06Å; V1988-A1991 PolarHBondContact O-N 2.78Å; V1988-Y1992 WeakPolarHBondContact O-CB 3.36Å; V1988-Y1992 PolarHBondContact O-N 3.16Å |
| 1989 | C | 91.7 | Very high | 89.9 | Confident | 0.2 Ų | 0.2 | 31.2 Ų | 31.2 | 0% | 0.001 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | V1883 I1887 L1947 L1951 S1985 M1986 Y1992 M1993 | V1883-C1989 VanDerWaalsContact CG1-SG 3.53Å; V1883-C1989 WeakPolarHBondContact CG1-SG 3.43Å; I1887-C1989 HydrophobicContact CD1-CB 3.8Å; I1887-C1989 HydrophobicContact CG1-CB 4.29Å; L1947-C1989 HydrophobicContact CD2-CB 3.96Å; L1951-C1989 HydrophobicContact CD1-CB 4.33Å; S1985-C1989 PolarHBondContact O-N 3.1Å; S1985-C1989 PolarHBondContact O-SG 3.1Å; M1986-C1989 PolarHBondContact O-N 3.27Å; C1989-Y1992 PolarHBondContact O-N 3.1Å; C1989-M1993 WeakPolarHBondContact O-CB 3.45Å; C1989-M1993 VanDerWaalsContact O-CG 3.28Å; C1989-M1993 WeakPolarHBondContact O-CG 3.4Å; C1989-M1993 PolarHBondContact O-N 3.09Å |
| 1990 | L | 92.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -48.6 | 175.4 | -109.6 | 134.7 | 0 | 0 | 0 | 111.2 | L1940 A1943 R1944 L1947 M1986 H1987 Y1992 M1993 Q1994 | L1940-L1990 HydrophobicContact CD1-CB 4.5Å; L1940-L1990 HydrophobicContact CD1-CD1 4.21Å; L1940-L1990 HydrophobicContact CD1-CD2 3.48Å; L1940-L1990 HydrophobicContact CD1-CG 4.02Å; A1943-L1990 HydrophobicContact CB-CD1 3.99Å; A1943-L1990 HydrophobicContact CB-CD2 3.98Å; R1944-L1990 HydrophobicContact CB-CD1 4.26Å; R1944-L1990 HydrophobicContact CB-CD2 4.32Å; R1944-L1990 HydrophobicContact CG-CD1 4.07Å; R1944-L1990 HydrophobicContact CG-CD2 4.18Å; L1947-L1990 HydrophobicContact CB-CD2 4.16Å; L1947-L1990 HydrophobicContact CD2-CB 4.17Å; L1947-L1990 HydrophobicContact CD2-CD1 4.05Å; L1947-L1990 HydrophobicContact CD2-CD2 3.61Å; L1947-L1990 HydrophobicContact CD2-CG 3.89Å; L1947-L1990 HydrophobicContact CG-CD2 4.46Å; M1986-L1990 HydrophobicContact CE-CD1 4Å; M1986-L1990 HydrophobicContact CE-CD2 4.13Å; M1986-L1990 HydrophobicContact CE-CG 3.89Å; M1986-L1990 HydrophobicContact CG-CD1 3.99Å; M1986-L1990 HydrophobicContact CG-CG 4.38Å; M1986-L1990 VanDerWaalsContact O-CB 3.25Å; M1986-L1990 WeakPolarHBondContact O-CB 3.42Å; M1986-L1990 WeakPolarHBondContact O-CG 3.33Å; M1986-L1990 PolarHBondContact O-N 2.96Å; M1986-L1990 HydrophobicContact SD-CD1 3.94Å; M1986-L1990 HydrophobicContact SD-CG 3.94Å; H1987-L1990 PolarHBondContact O-N 2.91Å; L1990-Y1992 VanDerWaalsContact C-N 3.28Å; L1990-Y1992 PolarHBondContact O-N 3.29Å; L1990-M1993 WeakPolarHBondContact O-CB 3.38Å; L1990-M1993 PolarHBondContact O-N 3.21Å; L1990-M1993 VanDerWaalsContact O-N 3.09Å; L1990-Q1994 WeakPolarHBondContact O-CB 3.42Å; L1990-Q1994 VanDerWaalsContact O-CG 3.27Å; L1990-Q1994 WeakPolarHBondContact O-CG 3.34Å; L1990-Q1994 PolarHBondContact O-N 3.23Å; L1990-Q1994 PolarHBondContact O-OE1 3.06Å |
| 1991 | A | 92.3 | Very high | 90.8 | Very high | 0.4 Ų | 0.4 | 27.9 Ų | 27.9 | 0% | 0.003 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1825 V1830 H1987 V1988 Q1994 K1995 F2068 | L1825-A1991 HydrophobicContact CD1-CB 4.13Å; V1830-A1991 HydrophobicContact CG1-CB 4.3Å; V1830-A1991 HydrophobicContact CG2-CB 4.16Å; H1987-A1991 VanDerWaalsContact O-CB 3.29Å; H1987-A1991 WeakPolarHBondContact O-CB 3.38Å; H1987-A1991 PolarHBondContact O-N 3.09Å; V1988-A1991 PolarHBondContact O-N 2.78Å; A1991-Q1994 PolarHBondContact O-N 3.09Å; A1991-K1995 WeakPolarHBondContact O-CB 3.38Å; A1991-K1995 PolarHBondContact O-N 3.11Å; A1991-F2068 HydrophobicContact CB-CE1 3.88Å; A1991-F2068 HydrophobicContact CB-CZ 4.19Å; A1991-F2068 WeakPolarHBondContact O-CZ 3.34Å |
| 1992 | Y | 92.9 | Very high | 91.3 | Very high | 40.6 Ų | 40.6 | 27.8 Ų | 27.8 | 16% | 0.159 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.8 | 179.1 | -91.1 | 0 | 0 | 0 | 112.4 | V1830 I1832 I1835 I1887 V1988 C1989 L1990 S1996 | V1830-Y1992 VanDerWaalsContact CG1-CA 3.49Å; V1830-Y1992 HydrophobicContact CG1-CD2 4.33Å; I1832-Y1992 HydrophobicContact CB-CE2 4.11Å; I1832-Y1992 PolarHBondContact O-OH 2.97Å; I1835-Y1992 HydrophobicContact CB-CD2 4.06Å; I1835-Y1992 HydrophobicContact CB-CE2 4.01Å; I1835-Y1992 HydrophobicContact CD1-CD1 3.75Å; I1835-Y1992 HydrophobicContact CD1-CD2 4.02Å; I1835-Y1992 HydrophobicContact CD1-CE1 4.22Å; I1835-Y1992 HydrophobicContact CD1-CE2 4.46Å; I1835-Y1992 HydrophobicContact CD1-CG 3.58Å; I1835-Y1992 VanDerWaalsContact CD1-CG 3.48Å; I1835-Y1992 HydrophobicContact CG1-CD2 3.9Å; I1835-Y1992 HydrophobicContact CG1-CE2 4.36Å; I1835-Y1992 HydrophobicContact CG1-CG 4.28Å; I1887-Y1992 HydrophobicContact CG2-CD1 3.95Å; I1887-Y1992 HydrophobicContact CG2-CE1 4.14Å; V1988-Y1992 WeakPolarHBondContact O-CB 3.36Å; V1988-Y1992 PolarHBondContact O-N 3.16Å; C1989-Y1992 PolarHBondContact O-N 3.1Å; L1990-Y1992 VanDerWaalsContact C-N 3.28Å; L1990-Y1992 PolarHBondContact O-N 3.29Å; Y1992-S1996 WeakPolarHBondContact CE1-OG 3.34Å; Y1992-S1996 VanDerWaalsContact O-CB 3.31Å; Y1992-S1996 WeakPolarHBondContact O-CB 3.35Å; Y1992-S1996 PolarHBondContact O-N 3.1Å; Y1992-S1996 PolarHBondContact O-OG 3.24Å |
| 1993 | M | 92.2 | Very high | 91.6 | Very high | 0.6 Ų | 0.6 | 33.7 Ų | 33.7 | 0% | 0.003 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -45.7 | 176.3 | -157.9 | 176.6 | -63.8 | 0 | 0 | 111.6 | I1887 L1890 V1894 F1895 A1943 L1947 C1989 L1990 K1995 S1996 V1997 | I1887-M1993 HydrophobicContact CB-CE 4.29Å; I1887-M1993 HydrophobicContact CG1-CE 4.39Å; I1887-M1993 HydrophobicContact CG1-SD 4.3Å; I1887-M1993 HydrophobicContact CG2-CB 4.42Å; I1887-M1993 HydrophobicContact CG2-CE 4.05Å; I1887-M1993 HydrophobicContact CG2-CG 3.87Å; I1887-M1993 HydrophobicContact CG2-SD 4.38Å; I1887-M1993 WeakPolarHBondContact O-CE 3.29Å; L1890-M1993 HydrophobicContact CB-CE 3.69Å; L1890-M1993 HydrophobicContact CB-SD 4.4Å; L1890-M1993 HydrophobicContact CD1-CE 4.45Å; V1894-M1993 HydrophobicContact CG2-SD 4.22Å; F1895-M1993 HydrophobicContact CE1-CB 4.15Å; F1895-M1993 HydrophobicContact CE1-CE 4.49Å; F1895-M1993 HydrophobicContact CE2-CE 3.41Å; F1895-M1993 VanDerWaalsContact CE2-CE 3.41Å; F1895-M1993 HydrophobicContact CZ-CB 4.13Å; F1895-M1993 HydrophobicContact CZ-CE 3.35Å; F1895-M1993 HydrophobicContact CZ-SD 4.09Å; A1943-M1993 HydrophobicContact CB-SD 3.45Å; A1943-M1993 WeakPolarHBondContact CB-SD 3.35Å; L1947-M1993 HydrophobicContact CD1-CE 3.93Å; L1947-M1993 HydrophobicContact CD1-SD 3.76Å; L1947-M1993 HydrophobicContact CD2-CE 4.08Å; L1947-M1993 HydrophobicContact CD2-SD 3.67Å; L1947-M1993 HydrophobicContact CG-CE 4.4Å; L1947-M1993 HydrophobicContact CG-SD 4.22Å; C1989-M1993 WeakPolarHBondContact O-CB 3.45Å; C1989-M1993 VanDerWaalsContact O-CG 3.28Å; C1989-M1993 WeakPolarHBondContact O-CG 3.4Å; C1989-M1993 PolarHBondContact O-N 3.09Å; L1990-M1993 WeakPolarHBondContact O-CB 3.38Å; L1990-M1993 PolarHBondContact O-N 3.21Å; L1990-M1993 VanDerWaalsContact O-N 3.09Å; M1993-K1995 VanDerWaalsContact C-N 3.35Å; M1993-K1995 PolarHBondContact O-N 3.11Å; M1993-S1996 PolarHBondContact O-N 3.08Å; M1993-V1997 HydrophobicContact CG-CG2 4.35Å; M1993-V1997 WeakPolarHBondContact O-CB 3.3Å; M1993-V1997 VanDerWaalsContact O-CG2 3.3Å; M1993-V1997 WeakPolarHBondContact O-CG2 3.39Å; M1993-V1997 PolarHBondContact O-N 3.01Å |
| 1994 | Q | 93.4 | Very high | 92 | Very high | 4.4 Ų | 4.4 | 33.9 Ų | 33.9 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 176.9 | -70.2 | 174.5 | -91.6 | 0 | 0 | 111.5 | A1936 S1939 L1940 L1990 A1991 S1996 V1997 A1998 P2066 F2068 | A1936-Q1994 HydrophobicContact CB-CB 4.41Å; A1936-Q1994 PolarHBondContact O-NE2 3.16Å; S1939-Q1994 WeakPolarHBondContact OG-CA 3.27Å; S1939-Q1994 WeakPolarHBondContact OG-CG 3.19Å; L1940-Q1994 HydrophobicContact CB-CG 4.36Å; L1990-Q1994 WeakPolarHBondContact O-CB 3.42Å; L1990-Q1994 VanDerWaalsContact O-CG 3.27Å; L1990-Q1994 WeakPolarHBondContact O-CG 3.34Å; L1990-Q1994 PolarHBondContact O-N 3.23Å; L1990-Q1994 PolarHBondContact O-OE1 3.06Å; A1991-Q1994 PolarHBondContact O-N 3.09Å; Q1994-S1996 PolarHBondContact O-N 3.49Å; Q1994-V1997 PolarHBondContact O-N 3.09Å; Q1994-A1998 VanDerWaalsContact O-CB 3.27Å; Q1994-A1998 WeakPolarHBondContact O-CB 3.42Å; Q1994-A1998 PolarHBondContact O-N 2.78Å; Q1994-P2066 PolarHBondContact NE2-O 3.1Å; Q1994-F2068 HydrophobicContact CB-CE2 3.98Å; Q1994-F2068 HydrophobicContact CB-CZ 3.99Å |
| 1995 | K | 93.3 | Very high | 92.8 | Very high | 36 Ų | 36 | 29.4 Ų | 29.4 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.4 | -176.3 | 174 | -176 | 170 | 0 | 112 | Y1827 E1828 V1830 I1832 A1991 M1993 V1997 A1998 E1999 F2068 | Y1827-K1995 HydrophobicContact CE1-CD 4.4Å; Y1827-K1995 HydrophobicContact CE1-CG 4.31Å; Y1827-K1995 HydrophobicContact CE2-CB 4.13Å; Y1827-K1995 HydrophobicContact CE2-CD 4.42Å; Y1827-K1995 HydrophobicContact CE2-CG 4.05Å; Y1827-K1995 VanDerWaalsContact O-CD 3.29Å; Y1827-K1995 WeakPolarHBondContact O-CD 3.38Å; Y1827-K1995 VanDerWaalsContact O-CE 3.28Å; Y1827-K1995 WeakPolarHBondContact O-CE 3.36Å; Y1827-K1995 PolarHBondContact O-NZ 3.3Å; E1828-K1995 VanDerWaalsContact C-NZ 3.34Å; E1828-K1995 PolarHBondContact O-NZ 3.07Å; V1830-K1995 HydrophobicContact CB-CD 4.02Å; V1830-K1995 HydrophobicContact CG1-CB 4.28Å; V1830-K1995 HydrophobicContact CG1-CD 4.33Å; V1830-K1995 VanDerWaalsContact O-CD 3.24Å; V1830-K1995 WeakPolarHBondContact O-CD 3.39Å; V1830-K1995 WeakPolarHBondContact O-CE 3.38Å; V1830-K1995 PolarHBondContact O-NZ 3.19Å; I1832-K1995 HydrophobicContact CG2-CB 3.99Å; I1832-K1995 HydrophobicContact CG2-CD 3.94Å; I1832-K1995 HydrophobicContact CG2-CG 3.63Å; A1991-K1995 WeakPolarHBondContact O-CB 3.38Å; A1991-K1995 PolarHBondContact O-N 3.11Å; M1993-K1995 VanDerWaalsContact C-N 3.35Å; M1993-K1995 PolarHBondContact O-N 3.11Å; K1995-V1997 VanDerWaalsContact C-N 3.34Å; K1995-V1997 PolarHBondContact O-N 2.86Å; K1995-A1998 PolarHBondContact O-N 2.92Å; K1995-E1999 HydrophobicContact CG-CG 4.26Å; K1995-E1999 WeakPolarHBondContact O-CB 3.27Å; K1995-E1999 WeakPolarHBondContact O-CG 3.27Å; K1995-E1999 PolarHBondContact O-N 3.17Å; K1995-F2068 HydrophobicContact CB-CZ 4.34Å |
| 1996 | S | 92.5 | Very high | 93.3 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 178.7 | -60.2 | 0 | 0 | 0 | 0 | 112 | Y1992 M1993 Q1994 K2000 | Y1992-S1996 WeakPolarHBondContact CE1-OG 3.34Å; Y1992-S1996 VanDerWaalsContact O-CB 3.31Å; Y1992-S1996 WeakPolarHBondContact O-CB 3.35Å; Y1992-S1996 PolarHBondContact O-N 3.1Å; Y1992-S1996 PolarHBondContact O-OG 3.24Å; M1993-S1996 PolarHBondContact O-N 3.08Å; Q1994-S1996 PolarHBondContact O-N 3.49Å; S1996-K2000 VanDerWaalsContact O-CB 3.28Å; S1996-K2000 WeakPolarHBondContact O-CB 3.3Å; S1996-K2000 PolarHBondContact O-N 3.18Å; S1996-K2000 VanDerWaalsContact O-N 3.1Å |
| 1997 | V | 93.4 | Very high | 93.5 | Very high | 2.8 Ų | 2.8 | 39 Ų | 39 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.1 | -42.4 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | T1891 V1894 F1895 C1898 M1993 Q1994 K1995 K2000 A2001 | T1891-V1997 HydrophobicContact CG2-CG2 4.33Å; V1894-V1997 HydrophobicContact CG1-CG2 4.11Å; F1895-V1997 HydrophobicContact CB-CB 4.32Å; F1895-V1997 HydrophobicContact CB-CG1 4.19Å; F1895-V1997 HydrophobicContact CB-CG2 4.15Å; F1895-V1997 HydrophobicContact CD1-CB 4.32Å; F1895-V1997 HydrophobicContact CD1-CG1 4.3Å; F1895-V1997 HydrophobicContact CD1-CG2 3.58Å; F1895-V1997 HydrophobicContact CD2-CG1 4.13Å; F1895-V1997 HydrophobicContact CE1-CG2 4.46Å; F1895-V1997 HydrophobicContact CG-CG2 3.69Å; C1898-V1997 HydrophobicContact CB-CG1 4.28Å; M1993-V1997 HydrophobicContact CG-CG2 4.35Å; M1993-V1997 WeakPolarHBondContact O-CB 3.3Å; M1993-V1997 VanDerWaalsContact O-CG2 3.3Å; M1993-V1997 WeakPolarHBondContact O-CG2 3.39Å; M1993-V1997 PolarHBondContact O-N 3.01Å; Q1994-V1997 PolarHBondContact O-N 3.09Å; K1995-V1997 VanDerWaalsContact C-N 3.34Å; K1995-V1997 PolarHBondContact O-N 2.86Å; V1997-K2000 PolarHBondContact O-N 3.07Å; V1997-A2001 WeakPolarHBondContact O-CB 3.32Å; V1997-A2001 PolarHBondContact O-N 3.1Å |
| 1998 | A | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1827 A1935 A1936 Q1994 K1995 K2000 A2001 V2002 | Y1827-A1998 HydrophobicContact CE2-CB 4.42Å; Y1827-A1998 WeakPolarHBondContact OH-CB 3.4Å; A1935-A1998 HydrophobicContact CB-CB 4.25Å; A1936-A1998 HydrophobicContact CB-CB 4.46Å; Q1994-A1998 VanDerWaalsContact O-CB 3.27Å; Q1994-A1998 WeakPolarHBondContact O-CB 3.42Å; Q1994-A1998 PolarHBondContact O-N 2.78Å; K1995-A1998 PolarHBondContact O-N 2.92Å; A1998-K2000 VanDerWaalsContact C-N 3.28Å; A1998-K2000 PolarHBondContact O-N 3.11Å; A1998-A2001 WeakPolarHBondContact O-CB 3.2Å; A1998-A2001 PolarHBondContact O-N 3.19Å; A1998-A2001 VanDerWaalsContact O-N 3.09Å; A1998-V2002 WeakPolarHBondContact O-CG2 3.35Å; A1998-V2002 PolarHBondContact O-N 2.99Å |
| 1999 | E | 93.9 | Very high | 94 | Very high | 55.4 Ų | 55.4 | 39.6 Ų | 39.6 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.1 | -29.4 | 177.5 | -66.4 | -53.3 | 136.5 | 0 | 0 | 112.7 | Y1827 I1832 R1932 K1995 K2003 | Y1827-E1999 VanDerWaalsContact CE1-OE1 3.31Å; Y1827-E1999 WeakPolarHBondContact CE1-OE1 3.38Å; Y1827-E1999 VanDerWaalsContact CZ-OE1 3.31Å; Y1827-E1999 PolarHBondContact OH-OE1 3.09Å; I1832-E1999 HydrophobicContact CD1-CB 4.23Å; I1832-E1999 HydrophobicContact CD1-CG 4.35Å; R1932-E1999 IonicContact CZ-OE1 3.35Å; R1932-E1999 IonicContact CZ-OE2 2.73Å; R1932-E1999 IonicContact NE-OE1 3.17Å; R1932-E1999 PolarHBondContact NE-OE1 3.14Å; R1932-E1999 IonicContact NE-OE2 2.92Å; R1932-E1999 IonicContact NH1-OE1 3.16Å; R1932-E1999 PolarHBondContact NH1-OE1 3.11Å; R1932-E1999 IonicContact NH1-OE2 3.5Å; R1932-E1999 PolarHBondContact NH1-OE2 2.89Å; R1932-E1999 IonicContact NH2-OE1 3.14Å; R1932-E1999 PolarHBondContact NH2-OE1 3.31Å; R1932-E1999 IonicContact NH2-OE2 3.3Å; R1932-E1999 PolarHBondContact NH2-OE2 3.23Å; K1995-E1999 HydrophobicContact CG-CG 4.26Å; K1995-E1999 WeakPolarHBondContact O-CB 3.27Å; K1995-E1999 WeakPolarHBondContact O-CG 3.27Å; K1995-E1999 PolarHBondContact O-N 3.17Å; E1999-K2003 PolarHBondContact O-N 3.27Å |
| 2000 | K | 93.2 | Very high | 94.1 | Very high | 99.4 Ų | 99.4 | 43.7 Ų | 43.7 | 43% | 0.432 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.6 | -39.5 | 170.8 | -176.6 | 72.7 | 179 | 154.7 | 0 | 111.4 | F1895 S1996 V1997 A1998 V2002 K2003 D2004 | F1895-K2000 HydrophobicContact CD1-CD 3.94Å; F1895-K2000 HydrophobicContact CD1-CG 4.3Å; F1895-K2000 HydrophobicContact CD2-CB 3.95Å; F1895-K2000 HydrophobicContact CD2-CD 3.74Å; F1895-K2000 HydrophobicContact CD2-CG 3.79Å; F1895-K2000 HydrophobicContact CE1-CD 3.92Å; F1895-K2000 HydrophobicContact CE1-CG 4.09Å; F1895-K2000 HydrophobicContact CE2-CB 3.78Å; F1895-K2000 HydrophobicContact CE2-CD 3.74Å; F1895-K2000 HydrophobicContact CE2-CG 3.47Å; F1895-K2000 VanDerWaalsContact CE2-CG 3.46Å; F1895-K2000 HydrophobicContact CG-CD 3.84Å; F1895-K2000 HydrophobicContact CG-CG 4.16Å; F1895-K2000 HydrophobicContact CZ-CB 4.39Å; F1895-K2000 HydrophobicContact CZ-CD 3.82Å; F1895-K2000 HydrophobicContact CZ-CG 3.63Å; S1996-K2000 VanDerWaalsContact O-CB 3.28Å; S1996-K2000 WeakPolarHBondContact O-CB 3.3Å; S1996-K2000 PolarHBondContact O-N 3.18Å; S1996-K2000 VanDerWaalsContact O-N 3.1Å; V1997-K2000 PolarHBondContact O-N 3.07Å; A1998-K2000 VanDerWaalsContact C-N 3.28Å; A1998-K2000 PolarHBondContact O-N 3.11Å; K2000-V2002 VanDerWaalsContact C-N 3.35Å; K2000-K2003 PolarHBondContact O-N 3.27Å; K2000-D2004 IonicContact NZ-OD1 3.5Å; K2000-D2004 PolarHBondContact NZ-OD1 3.27Å; K2000-D2004 PolarHBondContact O-N 3.16Å |
| 2001 | A | 95.8 | Very high | 94.1 | Very high | 0.8 Ų | 0.8 | 46.5 Ų | 46.5 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69 | -33.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1895 V1903 I1931 A1935 V1997 A1998 K2003 D2004 V2005 | F1895-A2001 HydrophobicContact CE2-CB 4.04Å; V1903-A2001 HydrophobicContact CG2-CB 4.36Å; I1931-A2001 HydrophobicContact CD1-CB 4.11Å; I1931-A2001 HydrophobicContact CG1-CB 3.65Å; A1935-A2001 HydrophobicContact CB-CB 3.9Å; V1997-A2001 WeakPolarHBondContact O-CB 3.32Å; V1997-A2001 PolarHBondContact O-N 3.1Å; A1998-A2001 WeakPolarHBondContact O-CB 3.2Å; A1998-A2001 PolarHBondContact O-N 3.19Å; A1998-A2001 VanDerWaalsContact O-N 3.09Å; A2001-K2003 PolarHBondContact O-N 3.31Å; A2001-D2004 PolarHBondContact O-N 3.17Å; A2001-V2005 WeakPolarHBondContact O-CG2 3.33Å; A2001-V2005 PolarHBondContact O-N 3.26Å |
| 2002 | V | 95.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.3 | -50.8 | 171.3 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | C1928 I1931 R1932 A1998 K2000 D2004 V2005 E2006 | C1928-V2002 HydrophobicContact CB-CG1 4.48Å; I1931-V2002 HydrophobicContact CG2-CB 4.34Å; I1931-V2002 HydrophobicContact CG2-CG2 3.61Å; R1932-V2002 HydrophobicContact CG-CG2 3.69Å; A1998-V2002 WeakPolarHBondContact O-CG2 3.35Å; A1998-V2002 PolarHBondContact O-N 2.99Å; K2000-V2002 VanDerWaalsContact C-N 3.35Å; V2002-D2004 VanDerWaalsContact C-N 3.28Å; V2002-D2004 PolarHBondContact O-N 3.06Å; V2002-V2005 WeakPolarHBondContact O-CB 3.32Å; V2002-V2005 PolarHBondContact O-N 3.23Å; V2002-V2005 VanDerWaalsContact O-N 3.13Å; V2002-E2006 HydrophobicContact CG1-CG 4.41Å; V2002-E2006 WeakPolarHBondContact CG1-OE1 3.37Å; V2002-E2006 WeakPolarHBondContact O-CG 3.38Å; V2002-E2006 PolarHBondContact O-N 3.15Å |
| 2003 | K | 95.1 | Very high | 94 | Very high | 134.2 Ų | 134.2 | 47.7 Ų | 47.7 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.4 | -36.3 | 178.7 | -66.1 | 179.1 | -178.9 | -177.8 | 0 | 113.1 | E1999 K2000 A2001 E2006 K2007 | E1999-K2003 PolarHBondContact O-N 3.27Å; K2000-K2003 PolarHBondContact O-N 3.27Å; A2001-K2003 PolarHBondContact O-N 3.31Å; K2003-E2006 WeakPolarHBondContact CA-OE2 3.29Å; K2003-K2007 WeakPolarHBondContact O-CB 3.38Å; K2003-K2007 PolarHBondContact O-N 2.96Å; K2003-K2007 VanDerWaalsContact O-N 3.12Å |
| 2004 | D | 94.6 | Very high | 94.1 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -73.1 | -35.3 | 178.4 | -84.4 | 21.2 | 0 | 0 | 0 | 112.1 | F1895 V1903 K2000 A2001 V2002 K2008 | F1895-D2004 VanDerWaalsContact CZ-OD2 3.3Å; F1895-D2004 WeakPolarHBondContact CZ-OD2 3.32Å; V1903-D2004 HydrophobicContact CG1-CB 4.48Å; V1903-D2004 HydrophobicContact CG2-CB 4.31Å; K2000-D2004 IonicContact NZ-OD1 3.5Å; K2000-D2004 PolarHBondContact NZ-OD1 3.27Å; K2000-D2004 PolarHBondContact O-N 3.16Å; A2001-D2004 PolarHBondContact O-N 3.17Å; V2002-D2004 VanDerWaalsContact C-N 3.28Å; V2002-D2004 PolarHBondContact O-N 3.06Å; D2004-K2008 VanDerWaalsContact O-CB 3.29Å; D2004-K2008 WeakPolarHBondContact O-CB 3.32Å; D2004-K2008 WeakPolarHBondContact O-CG 3.45Å; D2004-K2008 PolarHBondContact O-N 3.15Å; D2004-K2008 VanDerWaalsContact O-N 3.1Å |
| 2005 | V | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 171.8 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | V1903 V1906 V1907 A1927 I1931 A2001 V2002 K2007 K2008 L2009 | V1903-V2005 HydrophobicContact CB-CG2 4.2Å; V1903-V2005 HydrophobicContact CG1-CG2 3.8Å; V1903-V2005 HydrophobicContact CG2-CG2 4.11Å; V1906-V2005 HydrophobicContact CG1-CG1 4.36Å; V1906-V2005 HydrophobicContact CG1-CG2 4.46Å; V1907-V2005 HydrophobicContact CG2-CG1 4.39Å; V1907-V2005 HydrophobicContact CG2-CG2 4.47Å; A1927-V2005 HydrophobicContact CB-CG1 3.78Å; I1931-V2005 HydrophobicContact CB-CG2 3.98Å; I1931-V2005 HydrophobicContact CD1-CG2 3.89Å; I1931-V2005 HydrophobicContact CG1-CG2 3.66Å; I1931-V2005 HydrophobicContact CG2-CG2 4.31Å; A2001-V2005 WeakPolarHBondContact O-CG2 3.33Å; A2001-V2005 PolarHBondContact O-N 3.26Å; V2002-V2005 WeakPolarHBondContact O-CB 3.32Å; V2002-V2005 PolarHBondContact O-N 3.23Å; V2002-V2005 VanDerWaalsContact O-N 3.13Å; V2005-K2007 VanDerWaalsContact C-N 3.32Å; V2005-K2007 PolarHBondContact O-N 3.14Å; V2005-K2008 PolarHBondContact O-N 3.07Å; V2005-K2008 VanDerWaalsContact O-N 3.08Å; V2005-L2009 HydrophobicContact CG1-CD1 3.83Å; V2005-L2009 HydrophobicContact CG1-CG 4.41Å; V2005-L2009 WeakPolarHBondContact O-CG 3.33Å; V2005-L2009 PolarHBondContact O-N 3.29Å |
| 2006 | E | 95.9 | Very high | 93.7 | Very high | 75.6 Ų | 75.6 | 54.7 Ų | 54.7 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.4 | -50.3 | 175.5 | -74.4 | 171.2 | 172.4 | 0 | 0 | 110.7 | L1924 V2002 K2003 K2008 L2009 E2010 | L1924-E2006 HydrophobicContact CD1-CB 4.45Å; L1924-E2006 HydrophobicContact CD1-CG 3.84Å; V2002-E2006 HydrophobicContact CG1-CG 4.41Å; V2002-E2006 WeakPolarHBondContact CG1-OE1 3.37Å; V2002-E2006 WeakPolarHBondContact O-CG 3.38Å; V2002-E2006 PolarHBondContact O-N 3.15Å; K2003-E2006 WeakPolarHBondContact CA-OE2 3.29Å; E2006-K2008 VanDerWaalsContact C-N 3.28Å; E2006-K2008 PolarHBondContact O-N 3.19Å; E2006-L2009 CarbonylContact O-C 3.41Å; E2006-L2009 PolarHBondContact O-N 3.1Å; E2006-L2009 VanDerWaalsContact O-N 3.17Å; E2006-E2010 PolarHBondContact O-N 2.97Å |
| 2007 | K | 95.6 | Very high | 93.5 | Very high | 163.6 Ų | 163.6 | 57.8 Ų | 57.8 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.4 | -34.7 | 176.5 | -174 | 178.6 | -179.1 | -179.2 | 0 | 113 | K2003 V2005 E2010 | K2003-K2007 WeakPolarHBondContact O-CB 3.38Å; K2003-K2007 PolarHBondContact O-N 2.96Å; K2003-K2007 VanDerWaalsContact O-N 3.12Å; V2005-K2007 VanDerWaalsContact C-N 3.32Å; V2005-K2007 PolarHBondContact O-N 3.14Å; K2007-E2010 WeakPolarHBondContact O-CB 3.38Å; K2007-E2010 PolarHBondContact O-N 3.47Å |
| 2008 | K | 94 | Very high | 93.1 | Very high | 115.4 Ų | 115.4 | 65.1 Ų | 65.1 | 50% | 0.502 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -79.2 | -24.8 | -178.5 | -147.5 | 99.6 | 176.4 | 177.6 | 0 | 113.3 | V1903 V1907 R1911 D2004 V2005 E2006 | V1903-K2008 HydrophobicContact CG1-CD 3.71Å; V1907-K2008 HydrophobicContact CG1-CG 4.07Å; V1907-K2008 HydrophobicContact CG2-CB 3.97Å; V1907-K2008 HydrophobicContact CG2-CD 4.12Å; V1907-K2008 HydrophobicContact CG2-CG 3.9Å; R1911-K2008 PolarHBondContact NH2-O 3.29Å; R1911-K2008 VanDerWaalsContact NH2-O 3.09Å; D2004-K2008 VanDerWaalsContact O-CB 3.29Å; D2004-K2008 WeakPolarHBondContact O-CB 3.32Å; D2004-K2008 WeakPolarHBondContact O-CG 3.45Å; D2004-K2008 PolarHBondContact O-N 3.15Å; D2004-K2008 VanDerWaalsContact O-N 3.1Å; V2005-K2008 PolarHBondContact O-N 3.07Å; V2005-K2008 VanDerWaalsContact O-N 3.08Å; E2006-K2008 VanDerWaalsContact C-N 3.28Å; E2006-K2008 PolarHBondContact O-N 3.19Å |
| 2009 | L | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -94.5 | -5.6 | 175.1 | -66.7 | 176.6 | 0 | 0 | 0 | 113.3 | V1907 V1910 R1911 A1927 V2005 E2006 A2011 D2012 I2013 | V1907-L2009 HydrophobicContact CG1-CD2 4.12Å; V1907-L2009 HydrophobicContact CG2-CD2 4.39Å; V1907-L2009 HydrophobicContact CG2-CG 4.35Å; V1910-L2009 HydrophobicContact CG1-CD1 4.41Å; R1911-L2009 HydrophobicContact CG-CD2 4.23Å; A1927-L2009 HydrophobicContact CB-CD1 3.62Å; V2005-L2009 HydrophobicContact CG1-CD1 3.83Å; V2005-L2009 HydrophobicContact CG1-CG 4.41Å; V2005-L2009 WeakPolarHBondContact O-CG 3.33Å; V2005-L2009 PolarHBondContact O-N 3.29Å; E2006-L2009 CarbonylContact O-C 3.41Å; E2006-L2009 PolarHBondContact O-N 3.1Å; E2006-L2009 VanDerWaalsContact O-N 3.17Å; L2009-A2011 VanDerWaalsContact C-N 3.28Å; L2009-A2011 PolarHBondContact O-N 3.27Å; L2009-A2011 VanDerWaalsContact O-N 3.15Å; L2009-D2012 HydrophobicContact CD2-CB 4.46Å; L2009-D2012 CarbonylContact O-C 3.59Å; L2009-D2012 WeakPolarHBondContact O-CA 3.28Å; L2009-D2012 VanDerWaalsContact O-CB 3.31Å; L2009-D2012 WeakPolarHBondContact O-CB 3.37Å; L2009-D2012 PolarHBondContact O-N 3.14Å; L2009-I2013 HydrophobicContact CB-CD1 4.34Å; L2009-I2013 WeakPolarHBondContact O-CG1 3.39Å; L2009-I2013 PolarHBondContact O-N 3.17Å |
| 2010 | E | 94.5 | Very high | 92.2 | Very high | 85.6 Ų | 85.6 | 65.5 Ų | 65.5 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -51.6 | -40.7 | -179.5 | -172.9 | 105.4 | -175.5 | 0 | 0 | 113.1 | E2006 K2007 I2013 K2014 | E2006-E2010 PolarHBondContact O-N 2.97Å; K2007-E2010 WeakPolarHBondContact O-CB 3.38Å; K2007-E2010 PolarHBondContact O-N 3.47Å; E2010-I2013 PolarHBondContact O-N 3.25Å; E2010-K2014 HydrophobicContact CG-CD 4.29Å; E2010-K2014 WeakPolarHBondContact O-CB 3.37Å; E2010-K2014 WeakPolarHBondContact O-CG 3.2Å; E2010-K2014 PolarHBondContact O-N 3.11Å; E2010-K2014 WeakPolarHBondContact OE1-CE 3.41Å; E2010-K2014 IonicContact OE1-NZ 3.2Å; E2010-K2014 PolarHBondContact OE1-NZ 3.06Å |
| 2011 | A | 92.2 | Very high | 91.7 | Very high | 69.8 Ų | 69.8 | 64.6 Ų | 64.6 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2009 I2013 K2014 L2015 | L2009-A2011 VanDerWaalsContact C-N 3.28Å; L2009-A2011 PolarHBondContact O-N 3.27Å; L2009-A2011 VanDerWaalsContact O-N 3.15Å; A2011-I2013 VanDerWaalsContact C-N 3.35Å; A2011-K2014 PolarHBondContact O-N 3.29Å; A2011-L2015 VanDerWaalsContact O-CB 3.3Å; A2011-L2015 WeakPolarHBondContact O-CB 3.33Å; A2011-L2015 PolarHBondContact O-N 3.15Å; A2011-L2015 VanDerWaalsContact O-N 3.07Å |
| 2012 | D | 91.8 | Very high | 91 | Very high | 32 Ų | 32 | 70.3 Ų | 70.3 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68 | -37.4 | 177.8 | -56.2 | -93.1 | 0 | 0 | 0 | 111.4 | R1911 M1923 L2009 R2016 | R1911-D2012 IonicContact CZ-OD1 3.22Å; R1911-D2012 IonicContact CZ-OD2 3.55Å; R1911-D2012 VanDerWaalsContact CZ-OD2 3.3Å; R1911-D2012 IonicContact NE-OD1 3.37Å; R1911-D2012 PolarHBondContact NE-OD1 3.18Å; R1911-D2012 IonicContact NE-OD2 3.2Å; R1911-D2012 PolarHBondContact NE-OD2 3.27Å; R1911-D2012 IonicContact NH2-OD1 3.66Å; R1911-D2012 IonicContact NH2-OD2 3.48Å; R1911-D2012 PolarHBondContact NH2-OD2 3.08Å; M1923-D2012 HydrophobicContact CE-CB 3.92Å; M1923-D2012 HydrophobicContact SD-CB 4.47Å; L2009-D2012 HydrophobicContact CD2-CB 4.46Å; L2009-D2012 CarbonylContact O-C 3.59Å; L2009-D2012 WeakPolarHBondContact O-CA 3.28Å; L2009-D2012 VanDerWaalsContact O-CB 3.31Å; L2009-D2012 WeakPolarHBondContact O-CB 3.37Å; L2009-D2012 PolarHBondContact O-N 3.14Å; D2012-R2016 WeakPolarHBondContact O-CG 3.33Å; D2012-R2016 PolarHBondContact O-N 3.03Å; D2012-R2016 VanDerWaalsContact O-N 3.12Å; D2012-R2016 PolarHBondContact O-NH1 3.14Å |
| 2013 | I | 92.2 | Very high | 90.3 | Very high | 33.2 Ų | 33.2 | 77.7 Ų | 77.7 | 17% | 0.17 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67 | -48.1 | 176.3 | -67.4 | 166.6 | 0 | 0 | 0 | 110.4 | P1920 M1923 L1924 L2009 E2010 A2011 L2015 R2016 T2017 | P1920-I2013 HydrophobicContact CB-CB 4.42Å; P1920-I2013 HydrophobicContact CB-CG1 4.32Å; P1920-I2013 HydrophobicContact CB-CG2 4.03Å; M1923-I2013 HydrophobicContact CE-CG1 3.79Å; L1924-I2013 HydrophobicContact CB-CD1 4.45Å; L1924-I2013 HydrophobicContact CD1-CD1 3.96Å; L1924-I2013 HydrophobicContact CD2-CD1 4.25Å; L1924-I2013 HydrophobicContact CG-CD1 4.43Å; L2009-I2013 HydrophobicContact CB-CD1 4.34Å; L2009-I2013 WeakPolarHBondContact O-CG1 3.39Å; L2009-I2013 PolarHBondContact O-N 3.17Å; E2010-I2013 PolarHBondContact O-N 3.25Å; A2011-I2013 VanDerWaalsContact C-N 3.35Å; I2013-L2015 VanDerWaalsContact C-N 3.3Å; I2013-L2015 PolarHBondContact O-N 3.32Å; I2013-R2016 PolarHBondContact O-N 3.09Å; I2013-R2016 VanDerWaalsContact O-N 3.15Å; I2013-T2017 WeakPolarHBondContact O-CB 3.39Å; I2013-T2017 PolarHBondContact O-N 3.06Å; I2013-T2017 PolarHBondContact O-OG1 2.98Å; I2013-T2017 VanDerWaalsContact O-OG1 3.06Å |
| 2014 | K | 92.4 | Very high | 90 | Very high | 106.2 Ų | 106.2 | 72 Ų | 72 | 46% | 0.462 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.8 | -76.8 | 178.8 | 177.6 | 175.1 | 0 | 111.8 | E2010 A2011 R2016 T2017 E2018 | E2010-K2014 HydrophobicContact CG-CD 4.29Å; E2010-K2014 WeakPolarHBondContact O-CB 3.37Å; E2010-K2014 WeakPolarHBondContact O-CG 3.2Å; E2010-K2014 PolarHBondContact O-N 3.11Å; E2010-K2014 WeakPolarHBondContact OE1-CE 3.41Å; E2010-K2014 IonicContact OE1-NZ 3.2Å; E2010-K2014 PolarHBondContact OE1-NZ 3.06Å; A2011-K2014 PolarHBondContact O-N 3.29Å; K2014-R2016 VanDerWaalsContact C-N 3.33Å; K2014-R2016 PolarHBondContact O-N 3.12Å; K2014-T2017 PolarHBondContact O-N 3.29Å; K2014-T2017 VanDerWaalsContact O-N 3.13Å; K2014-E2018 WeakPolarHBondContact O-CB 3.36Å; K2014-E2018 WeakPolarHBondContact O-CG 3.3Å; K2014-E2018 PolarHBondContact O-N 3.07Å |
| 2015 | L | 89.3 | Confident | 89.4 | Confident | 71.2 Ų | 71.2 | 72.4 Ų | 72.4 | 37% | 0.373 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.9 | -45.5 | 177.9 | -178.2 | 65.4 | 0 | 0 | 0 | 112.4 | A2011 I2013 T2017 L2019 F2024 | A2011-L2015 VanDerWaalsContact O-CB 3.3Å; A2011-L2015 WeakPolarHBondContact O-CB 3.33Å; A2011-L2015 PolarHBondContact O-N 3.15Å; A2011-L2015 VanDerWaalsContact O-N 3.07Å; I2013-L2015 VanDerWaalsContact C-N 3.3Å; I2013-L2015 PolarHBondContact O-N 3.32Å; L2015-T2017 VanDerWaalsContact C-N 3.34Å; L2015-L2019 HydrophobicContact CD1-CD1 3.6Å; L2015-L2019 HydrophobicContact CD1-CG 4.18Å; L2015-L2019 HydrophobicContact CG-CD1 3.97Å; L2015-L2019 WeakPolarHBondContact O-CB 3.37Å; L2015-L2019 VanDerWaalsContact O-CG 3.31Å; L2015-L2019 WeakPolarHBondContact O-CG 3.41Å; L2015-L2019 PolarHBondContact O-N 3.21Å; L2015-L2019 VanDerWaalsContact O-N 3.11Å; L2015-F2024 HydrophobicContact CD2-CE2 4.42Å |
| 2016 | R | 90.4 | Very high | 88.8 | Confident | 12.2 Ų | 12.2 | 78.6 Ų | 78.6 | 5% | 0.046 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 177.1 | -71.4 | 172.2 | -172.8 | -169.1 | -9.3 | 112.3 | F1914 D1917 P1920 M1923 D2012 I2013 K2014 G2020 F2024 | F1914-R2016 PolarHBondContact O-NH1 3.21Å; F1914-R2016 VanDerWaalsContact O-NH1 3.13Å; F1914-R2016 PolarHBondContact O-NH2 3.08Å; D1917-R2016 PolarHBondContact O-NE 3.07Å; D1917-R2016 PolarHBondContact O-NH1 3.16Å; P1920-R2016 HydrophobicContact CB-CB 4.33Å; M1923-R2016 PolarHBondContact SD-NH1 2.82Å; M1923-R2016 VanDerWaalsContact SD-NH1 3.45Å; M1923-R2016 PolarHBondContact SD-NH2 3.13Å; D2012-R2016 WeakPolarHBondContact O-CG 3.33Å; D2012-R2016 PolarHBondContact O-N 3.03Å; D2012-R2016 VanDerWaalsContact O-N 3.12Å; D2012-R2016 PolarHBondContact O-NH1 3.14Å; I2013-R2016 PolarHBondContact O-N 3.09Å; I2013-R2016 VanDerWaalsContact O-N 3.15Å; K2014-R2016 VanDerWaalsContact C-N 3.33Å; K2014-R2016 PolarHBondContact O-N 3.12Å; R2016-G2020 WeakPolarHBondContact O-CA 3.39Å; R2016-G2020 PolarHBondContact O-N 3.23Å; R2016-G2020 VanDerWaalsContact O-N 3.11Å; R2016-F2024 HydrophobicContact CG-CD1 4.4Å; R2016-F2024 HydrophobicContact CG-CD2 3.73Å; R2016-F2024 HydrophobicContact CG-CE1 4.31Å; R2016-F2024 HydrophobicContact CG-CE2 3.63Å; R2016-F2024 HydrophobicContact CG-CG 4.13Å; R2016-F2024 HydrophobicContact CG-CZ 3.94Å |
| 2017 | T | 87.4 | Confident | 88.2 | Confident | 96.8 Ų | 96.8 | 78.8 Ų | 78.8 | 59% | 0.594 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.3 | -41.9 | 179.4 | -52.6 | 0 | 0 | 0 | 0 | 112 | I2013 K2014 L2015 | I2013-T2017 WeakPolarHBondContact O-CB 3.39Å; I2013-T2017 PolarHBondContact O-N 3.06Å; I2013-T2017 PolarHBondContact O-OG1 2.98Å; I2013-T2017 VanDerWaalsContact O-OG1 3.06Å; K2014-T2017 PolarHBondContact O-N 3.29Å; K2014-T2017 VanDerWaalsContact O-N 3.13Å; L2015-T2017 VanDerWaalsContact C-N 3.34Å |
| 2018 | E | 86.3 | Confident | 87.6 | Confident | 156 Ų | 156 | 71.3 Ų | 71.3 | 73% | 0.729 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.9 | -40.8 | -178.6 | -73 | 175 | -168.7 | 0 | 0 | 112.9 | K2014 | K2014-E2018 WeakPolarHBondContact O-CB 3.36Å; K2014-E2018 WeakPolarHBondContact O-CG 3.3Å; K2014-E2018 PolarHBondContact O-N 3.07Å |
| 2019 | L | 84.2 | Confident | 87 | Confident | 44.2 Ų | 44.2 | 68.9 Ų | 68.9 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.7 | -30.3 | 179.1 | -68.9 | 174.9 | 0 | 0 | 0 | 112.3 | L2015 R2023 F2024 Q2027 | L2015-L2019 HydrophobicContact CD1-CD1 3.6Å; L2015-L2019 HydrophobicContact CD1-CG 4.18Å; L2015-L2019 HydrophobicContact CG-CD1 3.97Å; L2015-L2019 WeakPolarHBondContact O-CB 3.37Å; L2015-L2019 VanDerWaalsContact O-CG 3.31Å; L2015-L2019 WeakPolarHBondContact O-CG 3.41Å; L2015-L2019 PolarHBondContact O-N 3.21Å; L2015-L2019 VanDerWaalsContact O-N 3.11Å; L2019-R2023 HydrophobicContact CB-CB 4.26Å; L2019-R2023 HydrophobicContact CD2-CB 4.45Å; L2019-R2023 VanDerWaalsContact O-CB 3.31Å; L2019-R2023 WeakPolarHBondContact O-CB 3.42Å; L2019-R2023 VanDerWaalsContact O-CD 3.25Å; L2019-R2023 WeakPolarHBondContact O-CD 3.48Å; L2019-R2023 WeakPolarHBondContact O-CG 3.47Å; L2019-F2024 HydrophobicContact CB-CB 4.13Å; L2019-F2024 HydrophobicContact CD1-CB 4.43Å; L2019-F2024 HydrophobicContact CD1-CD2 4.29Å; L2019-Q2027 VanDerWaalsContact CD1-OE1 3.32Å |
| 2020 | G | 83.7 | Confident | 86.2 | Confident | 20.4 Ų | 20.4 | 73.3 Ų | 73.3 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | 70.3 | 169.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2016 I2022 F2024 | R2016-G2020 WeakPolarHBondContact O-CA 3.39Å; R2016-G2020 PolarHBondContact O-N 3.23Å; R2016-G2020 VanDerWaalsContact O-N 3.11Å; G2020-I2022 PolarHBondContact O-N 3.12Å; G2020-F2024 VanDerWaalsContact O-CB 3.23Å; G2020-F2024 WeakPolarHBondContact O-CB 3.22Å; G2020-F2024 PolarHBondContact O-N 3.11Å; G2020-F2024 VanDerWaalsContact O-N 3.12Å |
| 2021 | P | 82.2 | Confident | 85.5 | Confident | 81.4 Ų | 81.4 | 75.1 Ų | 75.1 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | -164.8 | 12.9 | -20.9 | 0 | 0 | 0 | 113.9 | P1918 M2025 | P1918-P2021 HydrophobicContact CB-CB 3.7Å; P1918-P2021 HydrophobicContact CG-CB 4.26Å; P2021-M2025 WeakPolarHBondContact O-CB 3.36Å; P2021-M2025 WeakPolarHBondContact O-CG 3.49Å; P2021-M2025 PolarHBondContact O-N 3.22Å; P2021-M2025 VanDerWaalsContact O-N 3.11Å |
| 2022 | I | 81.1 | Confident | 84.9 | Confident | 120.2 Ų | 120.2 | 73.4 Ų | 73.4 | 62% | 0.616 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71.5 | -49.6 | -175.3 | -59.1 | -177.8 | 0 | 0 | 0 | 110.9 | G2020 F2024 M2025 E2026 E2253 | G2020-I2022 PolarHBondContact O-N 3.12Å; I2022-F2024 VanDerWaalsContact C-N 3.34Å; I2022-F2024 PolarHBondContact O-N 2.99Å; I2022-M2025 PolarHBondContact O-N 3.42Å; I2022-E2026 WeakPolarHBondContact O-CB 3.2Å; I2022-E2026 PolarHBondContact O-N 3.14Å; I2022-E2253 VanDerWaalsContact CD1-CD 3.46Å; I2022-E2253 WeakPolarHBondContact CD1-OE1 3.43Å; I2022-E2253 WeakPolarHBondContact CD1-OE2 3.49Å; I2022-E2253 WeakPolarHBondContact CG1-OE1 3.38Å |
| 2023 | R | 81.7 | Confident | 84.1 | Confident | 158.4 Ų | 158.4 | 74.4 Ų | 74.4 | 60% | 0.598 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.5 | -35.9 | -177.7 | -56.5 | -179.4 | 156.5 | -145.1 | -0.6 | 111.9 | L2019 M2025 E2026 Q2027 | L2019-R2023 HydrophobicContact CB-CB 4.26Å; L2019-R2023 HydrophobicContact CD2-CB 4.45Å; L2019-R2023 VanDerWaalsContact O-CB 3.31Å; L2019-R2023 WeakPolarHBondContact O-CB 3.42Å; L2019-R2023 VanDerWaalsContact O-CD 3.25Å; L2019-R2023 WeakPolarHBondContact O-CD 3.48Å; L2019-R2023 WeakPolarHBondContact O-CG 3.47Å; R2023-M2025 VanDerWaalsContact C-N 3.32Å; R2023-E2026 PolarHBondContact O-N 3.22Å; R2023-Q2027 VanDerWaalsContact O-CB 3.3Å; R2023-Q2027 WeakPolarHBondContact O-CB 3.36Å; R2023-Q2027 PolarHBondContact O-N 3.06Å |
| 2024 | F | 88.6 | Confident | 83.1 | Confident | 14 Ų | 14 | 76.6 Ų | 76.6 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 172.5 | 175.3 | -95.1 | 0 | 0 | 0 | 110.7 | D1917 P1918 L2015 R2016 L2019 G2020 I2022 Q2027 A2028 | D1917-F2024 VanDerWaalsContact O-CE1 3.28Å; D1917-F2024 WeakPolarHBondContact O-CE1 3.4Å; P1918-F2024 HydrophobicContact CB-CD1 4.29Å; L2015-F2024 HydrophobicContact CD2-CE2 4.42Å; R2016-F2024 HydrophobicContact CG-CD1 4.4Å; R2016-F2024 HydrophobicContact CG-CD2 3.73Å; R2016-F2024 HydrophobicContact CG-CE1 4.31Å; R2016-F2024 HydrophobicContact CG-CE2 3.63Å; R2016-F2024 HydrophobicContact CG-CG 4.13Å; R2016-F2024 HydrophobicContact CG-CZ 3.94Å; L2019-F2024 HydrophobicContact CB-CB 4.13Å; L2019-F2024 HydrophobicContact CD1-CB 4.43Å; L2019-F2024 HydrophobicContact CD1-CD2 4.29Å; G2020-F2024 VanDerWaalsContact O-CB 3.23Å; G2020-F2024 WeakPolarHBondContact O-CB 3.22Å; G2020-F2024 PolarHBondContact O-N 3.11Å; G2020-F2024 VanDerWaalsContact O-N 3.12Å; I2022-F2024 VanDerWaalsContact C-N 3.34Å; I2022-F2024 PolarHBondContact O-N 2.99Å; F2024-Q2027 PolarHBondContact O-N 3.24Å; F2024-A2028 HydrophobicContact CE1-CB 4.2Å; F2024-A2028 HydrophobicContact CZ-CB 4.26Å; F2024-A2028 VanDerWaalsContact O-CB 3.23Å; F2024-A2028 WeakPolarHBondContact O-CB 3.33Å; F2024-A2028 PolarHBondContact O-N 3.17Å |
| 2025 | M | 83.2 | Confident | 82.1 | Confident | 63.8 Ų | 63.8 | 77.6 Ų | 77.6 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 179.6 | -156.8 | -178 | -31.9 | 0 | 0 | 112 | P1918 P2021 I2022 R2023 Q2027 A2028 V2029 A2047 | P1918-M2025 HydrophobicContact CG-CE 4.21Å; P2021-M2025 WeakPolarHBondContact O-CB 3.36Å; P2021-M2025 WeakPolarHBondContact O-CG 3.49Å; P2021-M2025 PolarHBondContact O-N 3.22Å; P2021-M2025 VanDerWaalsContact O-N 3.11Å; I2022-M2025 PolarHBondContact O-N 3.42Å; R2023-M2025 VanDerWaalsContact C-N 3.32Å; M2025-Q2027 VanDerWaalsContact C-N 3.32Å; M2025-Q2027 PolarHBondContact O-N 2.96Å; M2025-A2028 PolarHBondContact O-N 3.14Å; M2025-V2029 HydrophobicContact CG-CG2 4.08Å; M2025-V2029 VanDerWaalsContact O-CB 3.28Å; M2025-V2029 WeakPolarHBondContact O-CB 3.36Å; M2025-V2029 VanDerWaalsContact O-CG2 3.23Å; M2025-V2029 WeakPolarHBondContact O-CG2 3.35Å; M2025-V2029 PolarHBondContact O-N 3.29Å; M2025-A2047 HydrophobicContact CE-CB 4.12Å |
| 2026 | E | 82.3 | Confident | 81.4 | Confident | 131.4 Ų | 131.4 | 76.1 Ų | 76.1 | 61% | 0.614 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59 | -45.5 | 176.4 | -171.9 | 176 | -169.4 | 0 | 0 | 111.5 | I2022 R2023 S2030 R2179 | I2022-E2026 WeakPolarHBondContact O-CB 3.2Å; I2022-E2026 PolarHBondContact O-N 3.14Å; R2023-E2026 PolarHBondContact O-N 3.22Å; E2026-S2030 VanDerWaalsContact O-CB 3.25Å; E2026-S2030 WeakPolarHBondContact O-CB 3.18Å; E2026-S2030 PolarHBondContact O-N 3.01Å; E2026-S2030 VanDerWaalsContact O-N 3.12Å; E2026-R2179 IonicContact OE1-CZ 3.63Å; E2026-R2179 IonicContact OE1-NH1 2.97Å; E2026-R2179 PolarHBondContact OE1-NH1 3.31Å |
| 2027 | Q | 83.2 | Confident | 80.6 | Confident | 78.2 Ų | 78.2 | 79.1 Ų | 79.1 | 37% | 0.365 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 177.4 | -174.7 | 176.6 | -35.4 | 0 | 0 | 112.4 | L2019 R2023 F2024 M2025 S2030 Q2031 | L2019-Q2027 VanDerWaalsContact CD1-OE1 3.32Å; R2023-Q2027 VanDerWaalsContact O-CB 3.3Å; R2023-Q2027 WeakPolarHBondContact O-CB 3.36Å; R2023-Q2027 PolarHBondContact O-N 3.06Å; F2024-Q2027 PolarHBondContact O-N 3.24Å; M2025-Q2027 VanDerWaalsContact C-N 3.32Å; M2025-Q2027 PolarHBondContact O-N 2.96Å; Q2027-S2030 PolarHBondContact O-N 3.08Å; Q2027-Q2031 WeakPolarHBondContact O-CB 3.2Å; Q2027-Q2031 VanDerWaalsContact O-CG 3.28Å; Q2027-Q2031 WeakPolarHBondContact O-CG 3.38Å; Q2027-Q2031 PolarHBondContact O-N 2.98Å |
| 2028 | A | 83.3 | Confident | 80 | Confident | 7.8 Ų | 7.8 | 80.9 Ų | 80.9 | 6% | 0.064 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.9 | -44.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1916 F2024 M2025 S2030 Q2031 L2032 | L1916-A2028 HydrophobicContact CD2-CB 3.97Å; F2024-A2028 HydrophobicContact CE1-CB 4.2Å; F2024-A2028 HydrophobicContact CZ-CB 4.26Å; F2024-A2028 VanDerWaalsContact O-CB 3.23Å; F2024-A2028 WeakPolarHBondContact O-CB 3.33Å; F2024-A2028 PolarHBondContact O-N 3.17Å; M2025-A2028 PolarHBondContact O-N 3.14Å; A2028-S2030 VanDerWaalsContact C-N 3.33Å; A2028-S2030 PolarHBondContact O-N 3.37Å; A2028-Q2031 PolarHBondContact O-N 3.1Å; A2028-L2032 VanDerWaalsContact O-CB 3.31Å; A2028-L2032 WeakPolarHBondContact O-CB 3.41Å; A2028-L2032 WeakPolarHBondContact O-CD1 3.37Å; A2028-L2032 WeakPolarHBondContact O-CG 3.42Å; A2028-L2032 PolarHBondContact O-N 3.32Å |
| 2029 | V | 81.7 | Confident | 79.4 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | L1916 M2025 Q2031 L2032 A2033 | L1916-V2029 HydrophobicContact CD2-CG2 3.91Å; M2025-V2029 HydrophobicContact CG-CG2 4.08Å; M2025-V2029 VanDerWaalsContact O-CB 3.28Å; M2025-V2029 WeakPolarHBondContact O-CB 3.36Å; M2025-V2029 VanDerWaalsContact O-CG2 3.23Å; M2025-V2029 WeakPolarHBondContact O-CG2 3.35Å; M2025-V2029 PolarHBondContact O-N 3.29Å; V2029-Q2031 VanDerWaalsContact C-N 3.32Å; V2029-Q2031 PolarHBondContact O-N 3.07Å; V2029-L2032 PolarHBondContact O-N 3.23Å; V2029-A2033 WeakPolarHBondContact O-CA 3.5Å; V2029-A2033 VanDerWaalsContact O-CB 3.3Å; V2029-A2033 WeakPolarHBondContact O-CB 3.35Å; V2029-A2033 PolarHBondContact O-N 3.2Å |
| 2030 | S | 79.6 | Confident | 78.9 | Confident | 92.2 Ų | 92.2 | 78.8 Ų | 78.8 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 176.9 | -176 | 0 | 0 | 0 | 0 | 112.6 | E2026 Q2027 A2028 | E2026-S2030 VanDerWaalsContact O-CB 3.25Å; E2026-S2030 WeakPolarHBondContact O-CB 3.18Å; E2026-S2030 PolarHBondContact O-N 3.01Å; E2026-S2030 VanDerWaalsContact O-N 3.12Å; Q2027-S2030 PolarHBondContact O-N 3.08Å; A2028-S2030 VanDerWaalsContact C-N 3.33Å; A2028-S2030 PolarHBondContact O-N 3.37Å |
| 2031 | Q | 79.3 | Confident | 78 | Confident | 124.4 Ų | 124.4 | 85.7 Ų | 85.7 | 58% | 0.581 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.7 | -36.5 | 178 | -73.8 | 179.6 | 7.8 | 0 | 0 | 112.9 | Q2027 A2028 V2029 | Q2027-Q2031 WeakPolarHBondContact O-CB 3.2Å; Q2027-Q2031 VanDerWaalsContact O-CG 3.28Å; Q2027-Q2031 WeakPolarHBondContact O-CG 3.38Å; Q2027-Q2031 PolarHBondContact O-N 2.98Å; A2028-Q2031 PolarHBondContact O-N 3.1Å; V2029-Q2031 VanDerWaalsContact C-N 3.32Å; V2029-Q2031 PolarHBondContact O-N 3.07Å |
| 2032 | L | 79.2 | Confident | 77.3 | Confident | 33.2 Ų | 33.2 | 87.1 Ų | 87.1 | 17% | 0.174 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -91.7 | -12.1 | -176.4 | -89.5 | 98 | 0 | 0 | 0 | 114 | A1915 L1916 A2028 V2029 S2034 Q2035 Q2036 L2045 | A1915-L2032 HydrophobicContact CB-CD1 3.77Å; A1915-L2032 HydrophobicContact CB-CD2 4.21Å; L1916-L2032 HydrophobicContact CD1-CD2 4.2Å; L1916-L2032 HydrophobicContact CD2-CD1 4.11Å; L1916-L2032 HydrophobicContact CD2-CD2 4.24Å; L1916-L2032 HydrophobicContact CG-CD1 4.07Å; L1916-L2032 HydrophobicContact CG-CD2 4.25Å; A2028-L2032 VanDerWaalsContact O-CB 3.31Å; A2028-L2032 WeakPolarHBondContact O-CB 3.41Å; A2028-L2032 WeakPolarHBondContact O-CD1 3.37Å; A2028-L2032 WeakPolarHBondContact O-CG 3.42Å; A2028-L2032 PolarHBondContact O-N 3.32Å; V2029-L2032 PolarHBondContact O-N 3.23Å; L2032-S2034 VanDerWaalsContact C-N 3.32Å; L2032-S2034 PolarHBondContact O-N 3.13Å; L2032-Q2035 PolarHBondContact O-N 3.21Å; L2032-Q2036 HydrophobicContact CB-CG 4.38Å; L2032-Q2036 HydrophobicContact CD2-CG 3.9Å; L2032-Q2036 HydrophobicContact CG-CG 3.94Å; L2032-Q2036 WeakPolarHBondContact O-CG 3.31Å; L2032-Q2036 PolarHBondContact O-N 3.17Å; L2032-L2045 HydrophobicContact CD2-CB 4.43Å; L2032-L2045 HydrophobicContact CD2-CD1 3.81Å |
| 2033 | A | 74.7 | Confident | 76.8 | Confident | 52.2 Ų | 52.2 | 86.5 Ų | 86.5 | 43% | 0.431 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -53.6 | -44.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V2029 Q2035 Q2036 S2037 | V2029-A2033 WeakPolarHBondContact O-CA 3.5Å; V2029-A2033 VanDerWaalsContact O-CB 3.3Å; V2029-A2033 WeakPolarHBondContact O-CB 3.35Å; V2029-A2033 PolarHBondContact O-N 3.2Å; A2033-Q2035 VanDerWaalsContact C-N 3.3Å; A2033-Q2035 PolarHBondContact O-N 3.04Å; A2033-Q2036 PolarHBondContact O-N 3.24Å; A2033-S2037 PolarHBondContact O-N 3.14Å; A2033-S2037 VanDerWaalsContact O-N 3.11Å; A2033-S2037 PolarHBondContact O-OG 3.15Å |
| 2034 | S | 71.5 | Confident | 76.5 | Confident | 80.6 Ų | 80.6 | 84.4 Ų | 84.4 | 56% | 0.564 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.7 | -28.5 | 179.5 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | L2032 S2037 N2038 | L2032-S2034 VanDerWaalsContact C-N 3.32Å; L2032-S2034 PolarHBondContact O-N 3.13Å; S2034-S2037 PolarHBondContact O-OG 3.04Å; S2034-S2037 VanDerWaalsContact O-OG 3.09Å; S2034-N2038 PolarHBondContact O-ND2 3.05Å |
| 2035 | Q | 72.1 | Confident | 76 | Confident | 127.8 Ų | 127.8 | 85.8 Ų | 85.8 | 60% | 0.597 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -83.3 | -40.9 | 178.1 | -63.3 | -172 | -3.7 | 0 | 0 | 110.9 | L2032 A2033 S2037 N2038 M2039 | L2032-Q2035 PolarHBondContact O-N 3.21Å; A2033-Q2035 VanDerWaalsContact C-N 3.3Å; A2033-Q2035 PolarHBondContact O-N 3.04Å; Q2035-S2037 VanDerWaalsContact C-N 3.33Å; Q2035-S2037 PolarHBondContact O-N 3.22Å; Q2035-N2038 PolarHBondContact O-N 3.23Å; Q2035-M2039 VanDerWaalsContact O-CG 3.23Å; Q2035-M2039 WeakPolarHBondContact O-CG 3.28Å; Q2035-M2039 PolarHBondContact O-N 3.12Å |
| 2036 | Q | 74.9 | Confident | 75.4 | Confident | 38.6 Ų | 38.6 | 86.7 Ų | 86.7 | 18% | 0.18 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.5 | -33.3 | 179.8 | -70.7 | -141.9 | -29.2 | 0 | 0 | 113.1 | L2032 A2033 N2038 M2039 R2044 L2045 | L2032-Q2036 HydrophobicContact CB-CG 4.38Å; L2032-Q2036 HydrophobicContact CD2-CG 3.9Å; L2032-Q2036 HydrophobicContact CG-CG 3.94Å; L2032-Q2036 WeakPolarHBondContact O-CG 3.31Å; L2032-Q2036 PolarHBondContact O-N 3.17Å; A2033-Q2036 PolarHBondContact O-N 3.24Å; Q2036-N2038 PolarHBondContact O-N 3.18Å; Q2036-N2038 VanDerWaalsContact O-N 3.17Å; Q2036-M2039 PolarHBondContact O-N 2.99Å; Q2036-M2039 VanDerWaalsContact O-N 3.16Å; Q2036-R2044 HydrophobicContact CB-CG 4.28Å; Q2036-R2044 HydrophobicContact CG-CG 3.96Å; Q2036-R2044 PolarHBondContact O-NE 3.27Å; Q2036-R2044 PolarHBondContact O-NH2 3.23Å; Q2036-L2045 VanDerWaalsContact NE2-CB 3.3Å; Q2036-L2045 VanDerWaalsContact NE2-N 3.12Å; Q2036-L2045 PolarHBondContact NE2-O 3.21Å |
| 2037 | S | 71.7 | Confident | 74.9 | Confident | 75.8 Ų | 75.8 | 83.7 Ų | 83.7 | 53% | 0.53 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -30.5 | 178 | 63.6 | 0 | 0 | 0 | 0 | 113 | A2033 S2034 Q2035 R2044 | A2033-S2037 PolarHBondContact O-N 3.14Å; A2033-S2037 VanDerWaalsContact O-N 3.11Å; A2033-S2037 PolarHBondContact O-OG 3.15Å; S2034-S2037 PolarHBondContact O-OG 3.04Å; S2034-S2037 VanDerWaalsContact O-OG 3.09Å; Q2035-S2037 VanDerWaalsContact C-N 3.33Å; Q2035-S2037 PolarHBondContact O-N 3.22Å; S2037-R2044 PolarHBondContact O-NH2 3.22Å; S2037-R2044 VanDerWaalsContact O-NH2 3.15Å |
| 2038 | N | 75 | Confident | 74.4 | Confident | 133.6 Ų | 133.6 | 81.4 Ų | 81.4 | 71% | 0.714 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -6.3 | -176.7 | -62.4 | -14.1 | 0 | 0 | 0 | 113.2 | S2034 Q2035 Q2036 | S2034-N2038 PolarHBondContact O-ND2 3.05Å; Q2035-N2038 PolarHBondContact O-N 3.23Å; Q2036-N2038 PolarHBondContact O-N 3.18Å; Q2036-N2038 VanDerWaalsContact O-N 3.17Å |
| 2039 | M | 74.8 | Confident | 74.2 | Confident | 79.2 Ų | 79.2 | 81.3 Ų | 81.3 | 39% | 0.39 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -96.3 | 140 | -177.2 | -71.9 | -108.3 | -76.6 | 0 | 0 | 111.8 | Q2035 Q2036 L2043 R2044 | Q2035-M2039 VanDerWaalsContact O-CG 3.23Å; Q2035-M2039 WeakPolarHBondContact O-CG 3.28Å; Q2035-M2039 PolarHBondContact O-N 3.12Å; Q2036-M2039 PolarHBondContact O-N 2.99Å; Q2036-M2039 VanDerWaalsContact O-N 3.16Å; M2039-L2043 HydrophobicContact CE-CB 3.92Å; M2039-L2043 HydrophobicContact CE-CD1 4.1Å; M2039-L2043 WeakPolarHBondContact CE-O 3.36Å; M2039-L2043 HydrophobicContact SD-CB 4.28Å; M2039-R2044 HydrophobicContact CB-CG 4.27Å; M2039-R2044 VanDerWaalsContact O-CZ 3.29Å; M2039-R2044 PolarHBondContact O-NE 3.25Å; M2039-R2044 VanDerWaalsContact O-NE 3.11Å; M2039-R2044 PolarHBondContact O-NH2 3.26Å; M2039-R2044 VanDerWaalsContact O-NH2 3.12Å |
| 2040 | P | 73 | Confident | 74.2 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | trans | -55.1 | 148.5 | 169.1 | -23.1 | 32.4 | 0 | 0 | 0 | 112 | S2042 L2043 R2044 | P2040-S2042 VanDerWaalsContact C-N 3.26Å; P2040-S2042 PolarHBondContact O-N 3.13Å; P2040-S2042 VanDerWaalsContact O-N 3.16Å; P2040-L2043 HydrophobicContact CG-CD1 4.41Å; P2040-L2043 PolarHBondContact O-N 3.29Å; P2040-R2044 PolarHBondContact O-N 3.09Å | ||
| 2041 | E | 65.8 | Low | 74.4 | Confident | 165 Ų | 165 | 77.1 Ų | 77.1 | 77% | 0.771 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -55.8 | -36.8 | -175.1 | -171.7 | 169 | -166.5 | 0 | 0 | 113.2 | L2043 R2044 | E2041-L2043 PolarHBondContact O-N 3.01Å; E2041-L2043 VanDerWaalsContact O-N 3.16Å; E2041-R2044 PolarHBondContact O-N 3.37Å |
| 2042 | S | 67.1 | Low | 74.5 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 78% | 0.783 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -66.2 | -15 | 176.6 | 53.6 | 0 | 0 | 0 | 0 | 115.1 | P2040 | P2040-S2042 VanDerWaalsContact C-N 3.26Å; P2040-S2042 PolarHBondContact O-N 3.13Å; P2040-S2042 VanDerWaalsContact O-N 3.16Å |
| 2043 | L | 70.6 | Confident | 74.6 | Confident | 107.2 Ų | 107.2 | 78.6 Ų | 78.6 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -110.7 | -3 | 178.1 | -61.4 | 178 | 0 | 0 | 0 | 112.7 | M2039 P2040 E2041 | M2039-L2043 HydrophobicContact CE-CB 3.92Å; M2039-L2043 HydrophobicContact CE-CD1 4.1Å; M2039-L2043 WeakPolarHBondContact CE-O 3.36Å; M2039-L2043 HydrophobicContact SD-CB 4.28Å; P2040-L2043 HydrophobicContact CG-CD1 4.41Å; P2040-L2043 PolarHBondContact O-N 3.29Å; E2041-L2043 PolarHBondContact O-N 3.01Å; E2041-L2043 VanDerWaalsContact O-N 3.16Å |
| 2044 | R | 75.9 | Confident | 75.1 | Confident | 114.6 Ų | 114.6 | 80.6 Ų | 80.6 | 43% | 0.432 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -74.9 | 137.9 | 178.7 | -88.6 | -177.6 | 167.9 | 143.9 | 1.8 | 110.1 | Q2036 S2037 M2039 P2040 E2041 T2046 | Q2036-R2044 HydrophobicContact CB-CG 4.28Å; Q2036-R2044 HydrophobicContact CG-CG 3.96Å; Q2036-R2044 PolarHBondContact O-NE 3.27Å; Q2036-R2044 PolarHBondContact O-NH2 3.23Å; S2037-R2044 PolarHBondContact O-NH2 3.22Å; S2037-R2044 VanDerWaalsContact O-NH2 3.15Å; M2039-R2044 HydrophobicContact CB-CG 4.27Å; M2039-R2044 VanDerWaalsContact O-CZ 3.29Å; M2039-R2044 PolarHBondContact O-NE 3.25Å; M2039-R2044 VanDerWaalsContact O-NE 3.11Å; M2039-R2044 PolarHBondContact O-NH2 3.26Å; M2039-R2044 VanDerWaalsContact O-NH2 3.12Å; P2040-R2044 PolarHBondContact O-N 3.09Å; E2041-R2044 PolarHBondContact O-N 3.37Å; R2044-T2046 PolarHBondContact O-N 3.01Å |
| 2045 | L | 76.5 | Confident | 76 | Confident | 44.2 Ų | 44.2 | 77.6 Ų | 77.6 | 23% | 0.231 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 133.1 | 175.7 | -57.7 | 171.1 | 0 | 0 | 0 | 109.5 | K1912 A1915 L1916 L2032 Q2036 | K1912-L2045 VanDerWaalsContact O-CD1 3.24Å; K1912-L2045 WeakPolarHBondContact O-CD1 3.35Å; K1912-L2045 WeakPolarHBondContact O-CD2 3.39Å; A1915-L2045 HydrophobicContact CB-CD1 3.9Å; L1916-L2045 HydrophobicContact CD1-CB 3.89Å; L1916-L2045 WeakPolarHBondContact CD1-O 3.43Å; L1916-L2045 HydrophobicContact CG-CB 4.4Å; L2032-L2045 HydrophobicContact CD2-CB 4.43Å; L2032-L2045 HydrophobicContact CD2-CD1 3.81Å; Q2036-L2045 VanDerWaalsContact NE2-CB 3.3Å; Q2036-L2045 VanDerWaalsContact NE2-N 3.12Å; Q2036-L2045 PolarHBondContact NE2-O 3.21Å |
| 2046 | T | 71.8 | Confident | 76.8 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 136.2 | 177.2 | -39.4 | 0 | 0 | 0 | 0 | 110.6 | R2044 G2048 G2049 | R2044-T2046 PolarHBondContact O-N 3.01Å; T2046-G2048 PolarHBondContact O-N 3.16Å; T2046-G2049 PolarHBondContact O-N 3.23Å; T2046-G2049 VanDerWaalsContact O-N 3.1Å; T2046-G2049 PolarHBondContact OG1-O 3.49Å |
| 2047 | A | 70.6 | Confident | 77.5 | Confident | 70 Ų | 70 | 76.2 Ų | 76.2 | 58% | 0.579 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 129.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | M2025 | M2025-A2047 HydrophobicContact CE-CB 4.12Š|
| 2048 | G | 73.1 | Confident | 78.5 | Confident | 28.4 Ų | 28.4 | 73.2 Ų | 73.2 | 29% | 0.293 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | -1.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1916 R1922 T2046 | L1916-G2048 CarbonylContact O-C 3.5Å; L1916-G2048 WeakPolarHBondContact O-CA 3.4Å; L1916-G2048 PolarHBondContact O-N 3.19Å; R1922-G2048 PolarHBondContact NH1-O 3.05Å; R1922-G2048 PolarHBondContact NH2-O 2.85Å; T2046-G2048 PolarHBondContact O-N 3.16Å |
| 2049 | G | 79.8 | Confident | 79.3 | Confident | 7 Ų | 7 | 71 Ų | 71 | 7% | 0.072 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 85.4 | -160.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1916 T2046 | L1916-G2049 PolarHBondContact O-N 3.07Å; T2046-G2049 PolarHBondContact O-N 3.23Å; T2046-G2049 VanDerWaalsContact O-N 3.1Å; T2046-G2049 PolarHBondContact OG1-O 3.49Å |
| 2050 | P | 82.4 | Confident | 79.9 | Confident | 11.2 Ų | 11.2 | 71.7 Ų | 71.7 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -62.6 | 139.5 | -178.2 | -12.5 | 21.4 | 0 | 0 | 0 | 111.9 | D1913 F1914 R1922 E2054 | D1913-P2050 HydrophobicContact CB-CG 4.37Å; D1913-P2050 WeakPolarHBondContact O-CD 3.43Å; F1914-P2050 HydrophobicContact CD1-CG 4.16Å; F1914-P2050 HydrophobicContact CD2-CG 4.31Å; F1914-P2050 HydrophobicContact CE1-CG 3.79Å; F1914-P2050 HydrophobicContact CE2-CG 3.97Å; F1914-P2050 HydrophobicContact CG-CG 4.41Å; F1914-P2050 HydrophobicContact CZ-CG 3.69Å; R1922-P2050 PolarHBondContact NH2-O 2.95Å; P2050-E2054 WeakPolarHBondContact CA-OE2 3.32Å; P2050-E2054 HydrophobicContact CB-CB 3.84Å |
| 2051 | T | 83 | Confident | 80.9 | Confident | 56.4 Ų | 56.4 | 70.6 Ų | 70.6 | 35% | 0.346 | 41% | 0.406 | S | S | . | . | trans | -62.9 | 163.3 | 172.2 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | T2053 E2054 M2055 | T2051-T2053 PolarHBondContact O-N 3.25Å; T2051-T2053 PolarHBondContact OG1-OG1 3.2Å; T2051-E2054 VanDerWaalsContact CB-OE2 3.3Å; T2051-E2054 WeakPolarHBondContact CB-OE2 3.35Å; T2051-E2054 WeakPolarHBondContact CG2-OE2 3.38Å; T2051-E2054 PolarHBondContact N-OE2 3.19Å; T2051-E2054 PolarHBondContact O-N 3.19Å; T2051-E2054 VanDerWaalsContact O-N 3.1Å; T2051-E2054 VanDerWaalsContact OG1-CD 3.26Å; T2051-E2054 VanDerWaalsContact OG1-CG 3.25Å; T2051-E2054 WeakPolarHBondContact OG1-CG 3.39Å; T2051-E2054 PolarHBondContact OG1-N 3.23Å; T2051-E2054 PolarHBondContact OG1-OE2 3.09Å; T2051-M2055 WeakPolarHBondContact O-CB 3.37Å; T2051-M2055 PolarHBondContact O-N 3.23Å | ||
| 2052 | A | 81.2 | Confident | 81.9 | Confident | 89.4 Ų | 89.4 | 63.3 Ų | 63.3 | 74% | 0.739 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.8 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M2055 S2056 | A2052-M2055 PolarHBondContact O-N 3.01Å; A2052-S2056 PolarHBondContact O-N 2.97Å; A2052-S2056 VanDerWaalsContact O-N 3.13Å |
| 2053 | T | 82 | Confident | 82.8 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.1 | -40.1 | 174.3 | 39.6 | 0 | 0 | 0 | 0 | 112.5 | T2051 M2055 S2056 | T2051-T2053 PolarHBondContact O-N 3.25Å; T2051-T2053 PolarHBondContact OG1-OG1 3.2Å; T2053-M2055 VanDerWaalsContact C-N 3.32Å; T2053-M2055 PolarHBondContact O-N 3Å; T2053-S2056 WeakPolarHBondContact O-CB 3.2Å; T2053-S2056 PolarHBondContact O-N 3.21Å; T2053-S2056 PolarHBondContact O-OG 3.01Å |
| 2054 | E | 85.4 | Confident | 83.6 | Confident | 94.4 Ų | 94.4 | 60.1 Ų | 60.1 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.3 | -34.1 | 175 | -69.4 | 161.7 | 143.4 | 0 | 0 | 111.3 | P2050 T2051 S2056 V2057 | P2050-E2054 WeakPolarHBondContact CA-OE2 3.32Å; P2050-E2054 HydrophobicContact CB-CB 3.84Å; T2051-E2054 VanDerWaalsContact CB-OE2 3.3Å; T2051-E2054 WeakPolarHBondContact CB-OE2 3.35Å; T2051-E2054 WeakPolarHBondContact CG2-OE2 3.38Å; T2051-E2054 PolarHBondContact N-OE2 3.19Å; T2051-E2054 PolarHBondContact O-N 3.19Å; T2051-E2054 VanDerWaalsContact O-N 3.1Å; T2051-E2054 VanDerWaalsContact OG1-CD 3.26Å; T2051-E2054 VanDerWaalsContact OG1-CG 3.25Å; T2051-E2054 WeakPolarHBondContact OG1-CG 3.39Å; T2051-E2054 PolarHBondContact OG1-N 3.23Å; T2051-E2054 PolarHBondContact OG1-OE2 3.09Å; E2054-S2056 VanDerWaalsContact C-N 3.27Å; E2054-S2056 PolarHBondContact O-N 3.28Å; E2054-V2057 VanDerWaalsContact O-CB 3.3Å; E2054-V2057 WeakPolarHBondContact O-CB 3.36Å; E2054-V2057 PolarHBondContact O-N 3.27Å; E2054-V2057 VanDerWaalsContact O-N 3.14Å |
| 2055 | M | 88.6 | Confident | 84.4 | Confident | 16.4 Ų | 16.4 | 55.1 Ų | 55.1 | 8% | 0.081 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 175.1 | -164.4 | 68.2 | -168.8 | 0 | 0 | 112.1 | F1914 R1922 Y1925 A1926 T2051 A2052 T2053 V2057 Y2058 E2059 | F1914-M2055 HydrophobicContact CE1-SD 4.45Å; F1914-M2055 HydrophobicContact CZ-SD 4.2Å; R1922-M2055 HydrophobicContact CB-CE 4.48Å; R1922-M2055 HydrophobicContact CG-CE 3.55Å; R1922-M2055 HydrophobicContact CG-SD 3.59Å; R1922-M2055 VanDerWaalsContact CG-SD 3.59Å; Y1925-M2055 HydrophobicContact CD1-CE 3.65Å; Y1925-M2055 HydrophobicContact CE1-CE 4.2Å; A1926-M2055 HydrophobicContact CB-CE 4.33Å; T2051-M2055 WeakPolarHBondContact O-CB 3.37Å; T2051-M2055 PolarHBondContact O-N 3.23Å; A2052-M2055 PolarHBondContact O-N 3.01Å; T2053-M2055 VanDerWaalsContact C-N 3.32Å; T2053-M2055 PolarHBondContact O-N 3Å; M2055-V2057 PolarHBondContact O-N 3.09Å; M2055-Y2058 WeakPolarHBondContact O-CA 3.3Å; M2055-Y2058 WeakPolarHBondContact O-CB 3.38Å; M2055-Y2058 PolarHBondContact O-N 3.15Å; M2055-E2059 PolarHBondContact O-N 3.23Å |
| 2056 | S | 88.9 | Confident | 85 | Confident | 58.2 Ų | 58.2 | 54.7 Ų | 54.7 | 41% | 0.407 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -26.2 | 176.5 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | A2052 T2053 E2054 E2059 E2060 | A2052-S2056 PolarHBondContact O-N 2.97Å; A2052-S2056 VanDerWaalsContact O-N 3.13Å; T2053-S2056 WeakPolarHBondContact O-CB 3.2Å; T2053-S2056 PolarHBondContact O-N 3.21Å; T2053-S2056 PolarHBondContact O-OG 3.01Å; E2054-S2056 VanDerWaalsContact C-N 3.27Å; E2054-S2056 PolarHBondContact O-N 3.28Å; S2056-E2059 PolarHBondContact O-N 3.08Å; S2056-E2060 VanDerWaalsContact O-CB 3.32Å; S2056-E2060 WeakPolarHBondContact O-CB 3.37Å; S2056-E2060 PolarHBondContact O-N 3.16Å |
| 2057 | V | 90.3 | Very high | 85.6 | Confident | 78.6 Ų | 78.6 | 52.1 Ų | 52.1 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | E2054 M2055 E2060 F2061 | E2054-V2057 VanDerWaalsContact O-CB 3.3Å; E2054-V2057 WeakPolarHBondContact O-CB 3.36Å; E2054-V2057 PolarHBondContact O-N 3.27Å; E2054-V2057 VanDerWaalsContact O-N 3.14Å; M2055-V2057 PolarHBondContact O-N 3.09Å; V2057-E2060 PolarHBondContact O-N 3.08Å; V2057-F2061 HydrophobicContact CG1-CE2 4.08Å; V2057-F2061 HydrophobicContact CG1-CZ 4.25Å; V2057-F2061 WeakPolarHBondContact O-CD2 3.35Å; V2057-F2061 PolarHBondContact O-N 3.09Å |
| 2058 | Y | 93.6 | Very high | 86.6 | Confident | 12.4 Ų | 12.4 | 49.2 Ų | 49.2 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 175.2 | -74.7 | -78.5 | 0 | 0 | 0 | 112.6 | V1910 D1913 F1914 A1926 Q1929 M1930 M2055 E2060 F2061 | V1910-Y2058 HydrophobicContact CG2-CE1 4.26Å; D1913-Y2058 PolarHBondContact OD2-OH 3.22Å; F1914-Y2058 HydrophobicContact CE2-CD2 4.42Å; F1914-Y2058 HydrophobicContact CE2-CE1 4.44Å; F1914-Y2058 AromaticContact CE2-CE2 3.88Å; F1914-Y2058 HydrophobicContact CE2-CE2 3.88Å; F1914-Y2058 AromaticContact CE2-CZ 3.9Å; F1914-Y2058 HydrophobicContact CZ-CD2 4.41Å; F1914-Y2058 HydrophobicContact CZ-CE2 4.3Å; A1926-Y2058 HydrophobicContact CB-CD1 3.55Å; A1926-Y2058 VanDerWaalsContact CB-CD1 3.49Å; A1926-Y2058 HydrophobicContact CB-CD2 4.19Å; A1926-Y2058 HydrophobicContact CB-CE1 3.99Å; A1926-Y2058 HydrophobicContact CB-CE2 4.46Å; A1926-Y2058 HydrophobicContact CB-CG 3.64Å; A1926-Y2058 WeakPolarHBondContact O-CD1 3.35Å; Q1929-Y2058 WeakPolarHBondContact CB-O 3.42Å; M1930-Y2058 HydrophobicContact CB-CD1 4.28Å; M1930-Y2058 HydrophobicContact CB-CE1 4.37Å; M1930-Y2058 HydrophobicContact SD-CE1 3.99Å; M2055-Y2058 WeakPolarHBondContact O-CA 3.3Å; M2055-Y2058 WeakPolarHBondContact O-CB 3.38Å; M2055-Y2058 PolarHBondContact O-N 3.15Å; Y2058-E2060 VanDerWaalsContact C-N 3.32Å; Y2058-F2061 HydrophobicContact CD1-CD2 4.23Å; Y2058-F2061 HydrophobicContact CD1-CE2 4.36Å; Y2058-F2061 PolarHBondContact O-N 3.27Å |
| 2059 | E | 90.4 | Very high | 87 | Confident | 88.8 Ų | 88.8 | 48.8 Ų | 48.8 | 42% | 0.415 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 172.7 | -68.3 | 175.4 | -177.2 | 0 | 0 | 111.8 | Y1925 M2055 S2056 F2061 G2062 R2063 | Y1925-E2059 HydrophobicContact CE1-CG 4.07Å; M2055-E2059 PolarHBondContact O-N 3.23Å; S2056-E2059 PolarHBondContact O-N 3.08Å; E2059-F2061 VanDerWaalsContact C-N 3.32Å; E2059-F2061 PolarHBondContact O-N 3.22Å; E2059-G2062 WeakPolarHBondContact O-CA 3.3Å; E2059-G2062 PolarHBondContact O-N 3.06Å; E2059-G2062 VanDerWaalsContact O-N 3.08Å; E2059-R2063 PolarHBondContact O-N 3.14Å |
| 2060 | E | 88 | Confident | 87.1 | Confident | 92.8 Ų | 92.8 | 52.2 Ų | 52.2 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 178.9 | -168.8 | 62.3 | -168.8 | 0 | 0 | 112.4 | S2056 V2057 Y2058 G2062 R2063 V2064 | S2056-E2060 VanDerWaalsContact O-CB 3.32Å; S2056-E2060 WeakPolarHBondContact O-CB 3.37Å; S2056-E2060 PolarHBondContact O-N 3.16Å; V2057-E2060 PolarHBondContact O-N 3.08Å; Y2058-E2060 VanDerWaalsContact C-N 3.32Å; E2060-G2062 VanDerWaalsContact C-N 3.26Å; E2060-G2062 PolarHBondContact O-N 3.14Å; E2060-R2063 PolarHBondContact O-N 3.15Å; E2060-R2063 VanDerWaalsContact O-N 3.12Å; E2060-R2063 WeakPolarHBondContact OE2-CD 3.45Å; E2060-R2063 IonicContact OE2-CZ 3.62Å; E2060-R2063 IonicContact OE2-NH1 3.23Å; E2060-R2063 PolarHBondContact OE2-NH1 3.05Å; E2060-V2064 HydrophobicContact CG-CG2 4.47Å; E2060-V2064 PolarHBondContact O-N 3.19Å; E2060-V2064 WeakPolarHBondContact OE1-CG2 3.31Å |
| 2061 | F | 93.2 | Very high | 86.6 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 24% | 0.237 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.9 | -37.7 | 170.8 | -70.8 | -47 | 0 | 0 | 0 | 112.4 | Q1929 M1930 H1933 V2057 Y2058 E2059 | Q1929-F2061 HydrophobicContact CB-CB 4.28Å; M1930-F2061 HydrophobicContact CB-CD2 3.99Å; M1930-F2061 HydrophobicContact CB-CE2 4.41Å; M1930-F2061 HydrophobicContact CB-CG 4.48Å; M1930-F2061 HydrophobicContact CE-CE2 4.26Å; M1930-F2061 HydrophobicContact CG-CD2 3.88Å; M1930-F2061 HydrophobicContact CG-CE2 3.95Å; M1930-F2061 HydrophobicContact CG-CG 4.48Å; M1930-F2061 HydrophobicContact CG-CZ 4.44Å; M1930-F2061 HydrophobicContact SD-CE2 4.43Å; H1933-F2061 HydrophobicContact CB-CB 3.89Å; H1933-F2061 HydrophobicContact CB-CD1 4.08Å; H1933-F2061 HydrophobicContact CB-CG 4.31Å; H1933-F2061 WeakPolarHBondContact CB-O 3.35Å; H1933-F2061 AromaticContact CD2-CD1 3.87Å; H1933-F2061 AromaticContact CG-CD1 3.68Å; H1933-F2061 AromaticContact ND1-CD1 3.89Å; H1933-F2061 PolarHBondContact ND1-O 2.72Å; V2057-F2061 HydrophobicContact CG1-CE2 4.08Å; V2057-F2061 HydrophobicContact CG1-CZ 4.25Å; V2057-F2061 WeakPolarHBondContact O-CD2 3.35Å; V2057-F2061 PolarHBondContact O-N 3.09Å; Y2058-F2061 HydrophobicContact CD1-CD2 4.23Å; Y2058-F2061 HydrophobicContact CD1-CE2 4.36Å; Y2058-F2061 PolarHBondContact O-N 3.27Å; E2059-F2061 VanDerWaalsContact C-N 3.32Å; E2059-F2061 PolarHBondContact O-N 3.22Å |
| 2062 | G | 87.1 | Confident | 85.2 | Confident | 12.6 Ų | 12.6 | 55 Ų | 55 | 13% | 0.13 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.2 | -32.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1929 E2059 E2060 | Q1929-G2062 VanDerWaalsContact OE1-CA 3.31Å; E2059-G2062 WeakPolarHBondContact O-CA 3.3Å; E2059-G2062 PolarHBondContact O-N 3.06Å; E2059-G2062 VanDerWaalsContact O-N 3.08Å; E2060-G2062 VanDerWaalsContact C-N 3.26Å; E2060-G2062 PolarHBondContact O-N 3.14Å |
| 2063 | R | 86 | Confident | 83.2 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.8 | -39.4 | 179.6 | -167 | -174.7 | -142.7 | 94.4 | -0.5 | 112.3 | E2059 E2060 P2070 S2071 S2073 | E2059-R2063 PolarHBondContact O-N 3.14Å; E2060-R2063 PolarHBondContact O-N 3.15Å; E2060-R2063 VanDerWaalsContact O-N 3.12Å; E2060-R2063 WeakPolarHBondContact OE2-CD 3.45Å; E2060-R2063 IonicContact OE2-CZ 3.62Å; E2060-R2063 IonicContact OE2-NH1 3.23Å; E2060-R2063 PolarHBondContact OE2-NH1 3.05Å; R2063-P2070 VanDerWaalsContact O-CA 3.26Å; R2063-P2070 WeakPolarHBondContact O-CA 3.3Å; R2063-P2070 WeakPolarHBondContact O-CB 3.5Å; R2063-S2071 VanDerWaalsContact CG-O 3.28Å; R2063-S2071 WeakPolarHBondContact CG-O 3.34Å; R2063-S2071 PolarHBondContact NH1-O 2.8Å; R2063-S2071 PolarHBondContact O-N 3.14Å; R2063-S2071 VanDerWaalsContact O-N 3.09Å; R2063-S2073 PolarHBondContact NH1-O 3.37Å; R2063-S2073 PolarHBondContact NH1-OG 2.79Å; R2063-S2073 VanDerWaalsContact NH2-CA 3.34Å; R2063-S2073 PolarHBondContact NH2-O 3.42Å; R2063-S2073 PolarHBondContact NH2-OG 3.21Å; R2063-S2073 VanDerWaalsContact NH2-OG 3.16Å |
| 2064 | V | 88.4 | Confident | 81 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -114.1 | 89.9 | -174.5 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | H1933 E2060 P2070 | H1933-V2064 PolarHBondContact CE1-O 3.33Å; H1933-V2064 PolarHBondContact ND1-O 2.95Å; E2060-V2064 HydrophobicContact CG-CG2 4.47Å; E2060-V2064 PolarHBondContact O-N 3.19Å; E2060-V2064 WeakPolarHBondContact OE1-CG2 3.31Å; V2064-P2070 HydrophobicContact CG2-CB 4.49Å | ||
| 2065 | I | 92.2 | Very high | 78.2 | Confident | 9.4 Ų | 9.4 | 52.8 Ų | 52.8 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | trans | -94.1 | 123 | 175.8 | -57.7 | 176.2 | 0 | 0 | 0 | 109 | Y1827 R1932 A1936 G2067 F2068 | Y1827-I2065 HydrophobicContact CD1-CD1 3.8Å; Y1827-I2065 HydrophobicContact CD2-CB 4.28Å; Y1827-I2065 HydrophobicContact CD2-CD1 3.56Å; Y1827-I2065 HydrophobicContact CD2-CG1 4.49Å; Y1827-I2065 HydrophobicContact CD2-CG2 3.83Å; Y1827-I2065 HydrophobicContact CE1-CD1 4.14Å; Y1827-I2065 HydrophobicContact CE2-CD1 3.9Å; Y1827-I2065 HydrophobicContact CE2-CG2 4.05Å; Y1827-I2065 HydrophobicContact CG-CD1 3.49Å; Y1827-I2065 VanDerWaalsContact CG-CD1 3.43Å; R1932-I2065 HydrophobicContact CB-CD1 4.29Å; A1936-I2065 HydrophobicContact CB-CG2 3.41Å; A1936-I2065 VanDerWaalsContact CB-CG2 3.42Å; I2065-G2067 PolarHBondContact O-N 3.17Å; I2065-F2068 HydrophobicContact CB-CB 4.4Å; I2065-F2068 HydrophobicContact CB-CD2 4.12Å; I2065-F2068 HydrophobicContact CG2-CD2 3.63Å; I2065-F2068 HydrophobicContact CG2-CE2 4.06Å; I2065-F2068 PolarHBondContact O-N 3.12Å; I2065-F2068 VanDerWaalsContact O-N 3.12Å | ||
| 2066 | P | 88.7 | Confident | 75.2 | Confident | 36.2 Ų | 36.2 | 59.6 Ų | 59.6 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 127.8 | -177.3 | -27.3 | 35.2 | 0 | 0 | 0 | 113 | H1933 Q1994 F2068 | H1933-P2066 WeakPolarHBondContact O-CD 3.42Å; Q1994-P2066 PolarHBondContact NE2-O 3.1Å; P2066-F2068 WeakPolarHBondContact O-CD2 3.31Å |
| 2067 | G | 85.2 | Confident | 72.2 | Confident | 25.2 Ų | 25.2 | 62.8 Ų | 62.8 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 1.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1824 I2065 | L1824-G2067 VanDerWaalsContact CD2-O 3.3Å; L1824-G2067 WeakPolarHBondContact CD2-O 3.38Å; I2065-G2067 PolarHBondContact O-N 3.17Å |
| 2068 | F | 91.5 | Very high | 69.1 | Low | 10.4 Ų | 10.4 | 65.9 Ų | 65.9 | 5% | 0.046 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -126.4 | 156.9 | 179.1 | -59.4 | -92.2 | 0 | 0 | 0 | 112.1 | L1824 L1825 Y1827 V1830 A1936 A1991 Q1994 K1995 I2065 P2066 | L1824-F2068 WeakPolarHBondContact CD2-O 3.41Å; L1825-F2068 WeakPolarHBondContact O-CA 3.41Å; L1825-F2068 WeakPolarHBondContact O-CB 3.4Å; L1825-F2068 WeakPolarHBondContact O-CD1 3.42Å; Y1827-F2068 VanDerWaalsContact CA-CD1 3.44Å; Y1827-F2068 AromaticContact CD2-CD1 3.99Å; Y1827-F2068 HydrophobicContact CD2-CD1 4.04Å; Y1827-F2068 AromaticContact CD2-CD2 3.77Å; Y1827-F2068 HydrophobicContact CD2-CD2 3.77Å; Y1827-F2068 AromaticContact CD2-CE1 3.92Å; Y1827-F2068 HydrophobicContact CD2-CE1 3.92Å; Y1827-F2068 AromaticContact CD2-CE2 3.68Å; Y1827-F2068 HydrophobicContact CD2-CE2 3.68Å; Y1827-F2068 AromaticContact CD2-CG 3.9Å; Y1827-F2068 HydrophobicContact CD2-CG 3.93Å; Y1827-F2068 AromaticContact CD2-CZ 3.73Å; Y1827-F2068 HydrophobicContact CD2-CZ 3.73Å; Y1827-F2068 HydrophobicContact CE2-CD2 4.48Å; Y1827-F2068 HydrophobicContact CE2-CE2 4.14Å; Y1827-F2068 HydrophobicContact CE2-CZ 4.2Å; Y1827-F2068 HydrophobicContact CG-CD1 4.44Å; Y1827-F2068 HydrophobicContact CG-CG 4.46Å; V1830-F2068 HydrophobicContact CB-CE1 4.43Å; V1830-F2068 HydrophobicContact CG2-CD1 4.38Å; V1830-F2068 HydrophobicContact CG2-CE1 3.88Å; A1936-F2068 HydrophobicContact CB-CE2 4.38Å; A1991-F2068 HydrophobicContact CB-CE1 3.88Å; A1991-F2068 HydrophobicContact CB-CZ 4.19Å; A1991-F2068 WeakPolarHBondContact O-CZ 3.34Å; Q1994-F2068 HydrophobicContact CB-CE2 3.98Å; Q1994-F2068 HydrophobicContact CB-CZ 3.99Å; K1995-F2068 HydrophobicContact CB-CZ 4.34Å; I2065-F2068 HydrophobicContact CB-CB 4.4Å; I2065-F2068 HydrophobicContact CB-CD2 4.12Å; I2065-F2068 HydrophobicContact CG2-CD2 3.63Å; I2065-F2068 HydrophobicContact CG2-CE2 4.06Å; I2065-F2068 PolarHBondContact O-N 3.12Å; I2065-F2068 VanDerWaalsContact O-N 3.12Å; P2066-F2068 WeakPolarHBondContact O-CD2 3.31Å |
| 2069 | A | 81.9 | Confident | 65.7 | Low | 20 Ų | 20 | 70.9 Ų | 70.9 | 17% | 0.165 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 139.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1824 L1825 R1826 S2071 | L1824-A2069 HydrophobicContact CB-CB 4.2Å; L1824-A2069 HydrophobicContact CD2-CB 4.27Å; L1824-A2069 VanDerWaalsContact O-CB 3.23Å; L1824-A2069 WeakPolarHBondContact O-CB 3.37Å; L1825-A2069 PolarHBondContact O-N 3.38Å; R1826-A2069 HydrophobicContact CG-CB 4.13Å; A2069-S2071 PolarHBondContact O-N 3.24Å |
| 2070 | P | 81.1 | Confident | 62.7 | Low | 77.6 Ų | 77.6 | 72.1 Ų | 72.1 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 138.9 | -179.1 | 24.3 | -32.6 | 0 | 0 | 0 | 111.2 | R1826 R2063 V2064 S2072 | R1826-P2070 VanDerWaalsContact CZ-O 3.27Å; R1826-P2070 PolarHBondContact NE-O 3.47Å; R1826-P2070 PolarHBondContact NH2-O 3.05Å; R2063-P2070 VanDerWaalsContact O-CA 3.26Å; R2063-P2070 WeakPolarHBondContact O-CA 3.3Å; R2063-P2070 WeakPolarHBondContact O-CB 3.5Å; V2064-P2070 HydrophobicContact CG2-CB 4.49Å; P2070-S2072 PolarHBondContact O-N 3.02Å |
| 2071 | S | 72.7 | Confident | 59.6 | Low | 41.2 Ų | 41.2 | 72.7 Ų | 72.7 | 29% | 0.288 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 125.6 | 178.7 | -64.7 | 0 | 0 | 0 | 0 | 110.3 | E1828 R2063 A2069 S2073 | E1828-S2071 WeakPolarHBondContact OE1-CB 3.2Å; E1828-S2071 PolarHBondContact OE1-OG 3.05Å; R2063-S2071 VanDerWaalsContact CG-O 3.28Å; R2063-S2071 WeakPolarHBondContact CG-O 3.34Å; R2063-S2071 PolarHBondContact NH1-O 2.8Å; R2063-S2071 PolarHBondContact O-N 3.14Å; R2063-S2071 VanDerWaalsContact O-N 3.09Å; A2069-S2071 PolarHBondContact O-N 3.24Å; S2071-S2073 VanDerWaalsContact C-N 3.26Å; S2071-S2073 PolarHBondContact O-N 2.95Å; S2071-S2073 VanDerWaalsContact O-N 3.07Å |
| 2072 | S | 52.1 | Low | 56.3 | Low | 86 Ų | 86 | 75.7 Ų | 75.7 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 113.2 | 178.1 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | R1826 P2070 G2074 | R1826-S2072 PolarHBondContact NH1-OG 3.28Å; R1826-S2072 PolarHBondContact NH2-OG 2.86Å; P2070-S2072 PolarHBondContact O-N 3.02Å; S2072-G2074 VanDerWaalsContact C-N 3.33Å; S2072-G2074 PolarHBondContact O-N 3.15Å |
| 2073 | S | 40.8 | Very low | 53.3 | Low | 91.2 Ų | 91.2 | 80.1 Ų | 80.1 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | trans | -91.8 | 100.1 | 173.6 | -147.4 | 0 | 0 | 0 | 0 | 111.4 | R2063 S2071 A2075 | R2063-S2073 PolarHBondContact NH1-O 3.37Å; R2063-S2073 PolarHBondContact NH1-OG 2.79Å; R2063-S2073 VanDerWaalsContact NH2-CA 3.34Å; R2063-S2073 PolarHBondContact NH2-O 3.42Å; R2063-S2073 PolarHBondContact NH2-OG 3.21Å; R2063-S2073 VanDerWaalsContact NH2-OG 3.16Å; S2071-S2073 VanDerWaalsContact C-N 3.26Å; S2071-S2073 PolarHBondContact O-N 2.95Å; S2071-S2073 VanDerWaalsContact O-N 3.07Å; S2073-A2075 PolarHBondContact O-N 3.01Å; S2073-A2075 VanDerWaalsContact OG-CB 3.27Å; S2073-A2075 WeakPolarHBondContact OG-CB 3.48Å | ||
| 2074 | G | 34.4 | Very low | 50.4 | Low | 67 Ų | 67 | 83 Ų | 83 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | trans | -83.4 | 99 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S2072 M2076 | S2072-G2074 VanDerWaalsContact C-N 3.33Å; S2072-G2074 PolarHBondContact O-N 3.15Å; G2074-M2076 PolarHBondContact O-N 3.04Å; G2074-M2076 VanDerWaalsContact O-N 3.07Å | ||
| 2075 | A | 26.9 | Very low | 47.4 | Very low | 79.8 Ų | 79.8 | 87.6 Ų | 87.6 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | trans | -59.8 | 117.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | S2073 V2077 | S2073-A2075 PolarHBondContact O-N 3.01Å; S2073-A2075 VanDerWaalsContact OG-CB 3.27Å; S2073-A2075 WeakPolarHBondContact OG-CB 3.48Å; A2075-V2077 PolarHBondContact O-N 3.16Å | ||
| 2076 | M | 25.9 | Very low | 44.2 | Very low | 158 Ų | 158 | 94.4 Ų | 94.4 | 78% | 0.778 | 60% | 0.597 | S | S | * | * | trans | -17.8 | 98.2 | 160.2 | 34.8 | -166.4 | 125.9 | 0 | 0 | 113.2 | G2074 N2078 | G2074-M2076 PolarHBondContact O-N 3.04Å; G2074-M2076 VanDerWaalsContact O-N 3.07Å; M2076-N2078 VanDerWaalsContact C-N 3.28Å; M2076-N2078 PolarHBondContact O-N 3.13Å | ||
| 2077 | V | 26.4 | Very low | 41.2 | Very low | 124.6 Ų | 124.6 | 98.1 Ų | 98.1 | 76% | 0.755 | 62% | 0.621 | S | S | * | * | trans | -75.6 | 99.6 | 158.6 | 175.7 | 0 | 0 | 0 | 0 | 105.8 | A2075 T2079 | A2075-V2077 PolarHBondContact O-N 3.16Å; V2077-T2079 VanDerWaalsContact C-N 3.27Å; V2077-T2079 PolarHBondContact O-N 3.04Å; V2077-T2079 PolarHBondContact O-OG1 3Å | ||
| 2078 | N | 23.7 | Very low | 38.4 | Very low | 143.8 Ų | 143.8 | 103.4 Ų | 103.4 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | trans | -57.2 | 100.8 | 165.6 | -82.5 | 0.5 | 0 | 0 | 0 | 108.7 | M2076 P2080 | M2076-N2078 VanDerWaalsContact C-N 3.28Å; M2076-N2078 PolarHBondContact O-N 3.13Å; N2078-P2080 WeakPolarHBondContact O-CD 3.29Å | ||
| 2079 | T | 23.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 107.9 Ų | 107.9 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | trans | -108.3 | 109.1 | 156.5 | -14.8 | 0 | 0 | 0 | 0 | 107 | V2077 S2081 | V2077-T2079 VanDerWaalsContact C-N 3.27Å; V2077-T2079 PolarHBondContact O-N 3.04Å; V2077-T2079 PolarHBondContact O-OG1 3Å; T2079-S2081 PolarHBondContact O-N 3.35Å | ||
| 2080 | P | 27.6 | Very low | 32.4 | Very low | 113.6 Ų | 113.6 | 114.8 Ų | 114.8 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | -72.4 | 135 | 180 | 22.2 | -20.6 | 0 | 0 | 0 | 109.5 | N2078 S2082 | N2078-P2080 WeakPolarHBondContact O-CD 3.29Å; P2080-S2082 PolarHBondContact O-N 3.16Å | ||
| 2081 | S | 22.6 | Very low | 29.7 | Very low | 106.4 Ų | 106.4 | 118.7 Ų | 118.7 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | 10.4 | 99.7 | 167.5 | -51.3 | 0 | 0 | 0 | 0 | 114 | T2079 S2083 | T2079-S2081 PolarHBondContact O-N 3.35Å; S2081-S2083 PolarHBondContact O-N 2.99Å | ||
| 2082 | S | 23.7 | Very low | 27.7 | Very low | 116.6 Ų | 116.6 | 121.7 Ų | 121.7 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | trans | -73 | 101.4 | 145.7 | -44.8 | 0 | 0 | 0 | 0 | 110.4 | P2080 I2084 | P2080-S2082 PolarHBondContact O-N 3.16Å; S2082-I2084 PolarHBondContact O-N 3.17Å; S2082-I2084 VanDerWaalsContact O-N 3.1Å | ||
| 2083 | S | 24.2 | Very low | 26.3 | Very low | 104.8 Ų | 104.8 | 125.4 Ų | 125.4 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -81.2 | 100.7 | 168.2 | 26.1 | 0 | 0 | 0 | 0 | 111.8 | S2081 L2085 | S2081-S2083 PolarHBondContact O-N 2.99Å; S2083-L2085 PolarHBondContact O-N 3.16Å; S2083-L2085 VanDerWaalsContact O-N 3.15Å | ||
| 2084 | I | 25.6 | Very low | 25.6 | Very low | 153.2 Ų | 153.2 | 127.5 Ų | 127.5 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -64 | 108 | 152.4 | -58.3 | 170.6 | 0 | 0 | 0 | 109.5 | S2082 L2086 | S2082-I2084 PolarHBondContact O-N 3.17Å; S2082-I2084 VanDerWaalsContact O-N 3.1Å; I2084-L2086 HydrophobicContact CG2-CD1 3.86Å; I2084-L2086 HydrophobicContact CG2-CG 3.97Å; I2084-L2086 PolarHBondContact O-N 3.11Å | ||
| 2085 | L | 24.4 | Very low | 25 | Very low | 157.6 Ų | 157.6 | 128.7 Ų | 128.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -110.4 | 116.6 | 156.9 | -74.7 | 171.5 | 0 | 0 | 0 | 109.3 | S2083 P2087 | S2083-L2085 PolarHBondContact O-N 3.16Å; S2083-L2085 VanDerWaalsContact O-N 3.15Å; L2085-P2087 VanDerWaalsContact O-CD 3.31Å; L2085-P2087 WeakPolarHBondContact O-CD 3.47Å | ||
| 2086 | L | 24.3 | Very low | 25 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -66.9 | 132.1 | 158.5 | -84.7 | 151.2 | 0 | 0 | 0 | 112.5 | I2084 V2088 | I2084-L2086 HydrophobicContact CG2-CD1 3.86Å; I2084-L2086 HydrophobicContact CG2-CG 3.97Å; I2084-L2086 PolarHBondContact O-N 3.11Å; L2086-V2088 PolarHBondContact O-N 2.91Å; L2086-V2088 VanDerWaalsContact O-N 3.14Å | ||
| 2087 | P | 26 | Very low | 24.9 | Very low | 113.2 Ų | 113.2 | 132 Ų | 132 | 74% | 0.735 | 78% | 0.783 | S | S | * | * | trans | -85.8 | 118.4 | -170.9 | 32.9 | -30.3 | 0 | 0 | 0 | 111.1 | L2085 S2089 | L2085-P2087 VanDerWaalsContact O-CD 3.31Å; L2085-P2087 WeakPolarHBondContact O-CD 3.47Å; P2087-S2089 PolarHBondContact O-N 3.44Å | ||
| 2088 | V | 27 | Very low | 24.8 | Very low | 136.6 Ų | 136.6 | 133.1 Ų | 133.1 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | -109.6 | 115.3 | 163.7 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | L2086 L2090 | L2086-V2088 PolarHBondContact O-N 2.91Å; L2086-V2088 VanDerWaalsContact O-N 3.14Å; V2088-L2090 PolarHBondContact O-N 3.04Å | ||
| 2089 | S | 24.1 | Very low | 25 | Very low | 105.8 Ų | 105.8 | 134.4 Ų | 134.4 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -43.3 | 118.4 | 165 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | P2087 N2091 | P2087-S2089 PolarHBondContact O-N 3.44Å; S2089-N2091 PolarHBondContact O-N 3.06Å; S2089-N2091 VanDerWaalsContact O-N 3.12Å | ||
| 2090 | L | 23.4 | Very low | 25.1 | Very low | 165.6 Ų | 165.6 | 133.8 Ų | 133.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -60.1 | 118.3 | 157.2 | -73.4 | 155 | 0 | 0 | 0 | 111.6 | V2088 P2092 | V2088-L2090 PolarHBondContact O-N 3.04Å; L2090-P2092 WeakPolarHBondContact O-CD 3.33Å | ||
| 2091 | N | 24.5 | Very low | 25.3 | Very low | 159.2 Ų | 159.2 | 134.6 Ų | 134.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -119.2 | 137.4 | 155.2 | -109.3 | 15.6 | 0 | 0 | 0 | 110.5 | S2089 | S2089-N2091 PolarHBondContact O-N 3.06Å; S2089-N2091 VanDerWaalsContact O-N 3.12Å | ||
| 2092 | P | 30 | Very low | 25.5 | Very low | 104.6 Ų | 104.6 | 134.8 Ų | 134.8 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -89.2 | 148.6 | -175.9 | 34.8 | -31.4 | 0 | 0 | 0 | 112.4 | L2090 | L2090-P2092 WeakPolarHBondContact O-CD 3.33Š| ||
| 2093 | L | 22.3 | Very low | 25.6 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 115.6 | 124.7 | 145 | -68.9 | 164.8 | 0 | 0 | 0 | 113 | A2095 | L2093-A2095 PolarHBondContact O-N 2.86Š| ||
| 2094 | T | 26.5 | Very low | 25.8 | Very low | 135.8 Ų | 135.8 | 136.5 Ų | 136.5 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | 96.4 | 122.7 | 139.2 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | V2096 | T2094-V2096 PolarHBondContact O-N 3.16Š| ||
| 2095 | A | 23.1 | Very low | 25.9 | Very low | 93.4 Ų | 93.4 | 136.2 Ų | 136.2 | 77% | 0.772 | 80% | 0.798 | S | S | * | * | trans | -18.7 | 139.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L2093 | L2093-A2095 PolarHBondContact O-N 2.86Š| ||
| 2096 | V | 26.3 | Very low | 26 | Very low | 130.4 Ų | 130.4 | 133.9 Ų | 133.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | 146 | 115 | 130.5 | -178.7 | 0 | 0 | 0 | 0 | 114.9 | T2094 | T2094-V2096 PolarHBondContact O-N 3.16Š| ||
| 2097 | Q | 24.3 | Very low | 26 | Very low | 174.8 Ų | 174.8 | 131.8 Ų | 131.8 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | 47.1 | 126.7 | 140.7 | -71.3 | -170 | -22.2 | 0 | 0 | 119.2 | I2099 | Q2097-I2099 PolarHBondContact O-N 2.96Š| ||
| 2098 | N | 22.7 | Very low | 26.2 | Very low | 149.2 Ų | 149.2 | 130.6 Ų | 130.6 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | 37 | 114.7 | 112.7 | -102.2 | 16.2 | 0 | 0 | 0 | 116.6 | |||||
| 2099 | I | 28.9 | Very low | 26.4 | Very low | 170.4 Ų | 170.4 | 129.1 Ų | 129.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -154.6 | 132.8 | 136.5 | -81.3 | 145.6 | 0 | 0 | 0 | 108.6 | Q2097 | Q2097-I2099 PolarHBondContact O-N 2.96Š| ||
| 2100 | S | 25.5 | Very low | 26.7 | Very low | 105.8 Ų | 105.8 | 132.5 Ų | 132.5 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -60.3 | 155.6 | -179.5 | -34.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2101 | P | 31 | Very low | 27 | Very low | 129.4 Ų | 129.4 | 128.5 Ų | 128.5 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -95.9 | 143 | -173.2 | 36.7 | -31.1 | 0 | 0 | 0 | 113.5 | ||||
| 2102 | S | 27.6 | Very low | 27.3 | Very low | 111.6 Ų | 111.6 | 124.9 Ų | 124.9 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | -132.9 | 117.3 | 165 | 56 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2103 | T | 26 | Very low | 27.3 | Very low | 128.4 Ų | 128.4 | 130 Ų | 130 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -2.2 | 122.8 | 151 | -44.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 2104 | V | 27.9 | Very low | 27.6 | Very low | 128.2 Ų | 128.2 | 129.3 Ų | 129.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -133.6 | 118.5 | 153 | -164.5 | 0 | 0 | 0 | 0 | 112.7 | S2106 | V2104-S2106 PolarHBondContact O-N 2.75Š| ||
| 2105 | N | 28 | Very low | 27.9 | Very low | 147.2 Ų | 147.2 | 130.8 Ų | 130.8 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -36.5 | 118.4 | 167.8 | -77.6 | -13.8 | 0 | 0 | 0 | 114.7 | A2107 | N2105-A2107 PolarHBondContact O-N 3.02Š| ||
| 2106 | S | 26.1 | Very low | 28.2 | Very low | 110.2 Ų | 110.2 | 134.3 Ų | 134.3 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -133.4 | 93.5 | 158.5 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | V2104 A2108 | V2104-S2106 PolarHBondContact O-N 2.75Å; S2106-A2108 VanDerWaalsContact C-N 3.26Å; S2106-A2108 PolarHBondContact O-N 3.05Å | ||
| 2107 | A | 25.7 | Very low | 28.3 | Very low | 105.6 Ų | 105.6 | 133.5 Ų | 133.5 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | -86.1 | 58.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2105 | N2105-A2107 PolarHBondContact O-N 3.02Š| ||
| 2108 | A | 29.8 | Very low | 28.4 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -128.5 | 17.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | S2106 | S2106-A2108 VanDerWaalsContact C-N 3.26Å; S2106-A2108 PolarHBondContact O-N 3.05Å | ||
| 2109 | S | 31 | Very low | 28.7 | Very low | 104.2 Ų | 104.2 | 128.1 Ų | 128.1 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -111.7 | 7.4 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2110 | M | 29.2 | Very low | 28.6 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -100.9 | 9.8 | 175 | -99.6 | -157.9 | -76.9 | 0 | 0 | 113.6 | ||
| 2111 | A | 30.5 | Very low | 28.5 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -75 | -0.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 2112 | A | 31 | Very low | 28.2 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -96.4 | 2.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 2113 | Y | 29.8 | Very low | 28 | Very low | 212.2 Ų | 212.2 | 140 Ų | 140 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 6.3 | 175.4 | -133.1 | -95.8 | 0 | 0 | 0 | 115.8 | ||
| 2114 | L | 28.7 | Very low | 27.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -86.7 | 23.8 | 168.6 | -82.5 | 170.2 | 0 | 0 | 0 | 115.9 | ||
| 2115 | Q | 32.2 | Very low | 27.6 | Very low | 167.6 Ų | 167.6 | 141.2 Ų | 141.2 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -121 | 23 | 170.2 | -132.5 | 171.1 | 3.8 | 0 | 0 | 116.8 | ||
| 2116 | L | 30 | Very low | 27.4 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -125.4 | 37.1 | 167.3 | -114 | 104.2 | 0 | 0 | 0 | 114.6 | ||
| 2117 | S | 28.5 | Very low | 27.4 | Very low | 113.2 Ų | 113.2 | 140.7 Ų | 140.7 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -134 | 48.3 | 168.6 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2118 | A | 27.3 | Very low | 27.4 | Very low | 93.2 Ų | 93.2 | 139.1 Ų | 139.1 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -122.2 | 43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 2119 | S | 27.4 | Very low | 27.2 | Very low | 116.2 Ų | 116.2 | 142.6 Ų | 142.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -151.2 | 62.8 | 175.2 | -47.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 2120 | Q | 28.2 | Very low | 27 | Very low | 200.2 Ų | 200.2 | 144 Ų | 144 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -154.9 | 78.4 | 155.4 | -143 | 173.4 | 56.9 | 0 | 0 | 110.7 | ||||
| 2121 | K | 23.7 | Very low | 26.7 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -129.6 | 83.9 | 176.8 | -155.5 | -177.2 | -173.6 | -178.7 | 0 | 108.8 | ||||
| 2122 | Q | 23.7 | Very low | 26.2 | Very low | 180.6 Ų | 180.6 | 150.8 Ų | 150.8 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | trans | -176.5 | 115.1 | 160.1 | -92.1 | 176.2 | -20.4 | 0 | 0 | 110.9 | ||||
| 2123 | Q | 24.4 | Very low | 25.8 | Very low | 184.6 Ų | 184.6 | 155 Ų | 155 | 86% | 0.863 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 135.6 | 110.7 | 150.5 | -79.2 | 178.4 | -33.7 | 0 | 0 | 111.4 | ||
| 2124 | L | 23.5 | Very low | 25.4 | Very low | 170.8 Ų | 170.8 | 150.8 Ų | 150.8 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | trans | 121.5 | 77 | 145.6 | -80.7 | 148.8 | 0 | 0 | 0 | 112.1 | ||||
| 2125 | S | 21.4 | Very low | 25.2 | Very low | 112.4 Ų | 112.4 | 150 Ų | 150 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -90.8 | 119.6 | 159.3 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2126 | S | 24.1 | Very low | 25 | Very low | 104.2 Ų | 104.2 | 147.4 Ų | 147.4 | 73% | 0.729 | 82% | 0.819 | S | S | * | * | trans | 178.2 | 117 | 149.7 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 2127 | T | 25.1 | Very low | 24.7 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | 154 | 116.2 | 137.4 | 39.2 | 0 | 0 | 0 | 0 | 113 | I2129 | T2127-I2129 PolarHBondContact O-N 2.84Š| ||
| 2128 | G | 26.3 | Very low | 24.5 | Very low | 71.8 Ų | 71.8 | 145.4 Ų | 145.4 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -177.8 | 71.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V2130 | G2128-V2130 PolarHBondContact O-N 3.06Š| ||
| 2129 | I | 25.2 | Very low | 24.1 | Very low | 161.4 Ų | 161.4 | 147.2 Ų | 147.2 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | -74.1 | 106.1 | 156.7 | -62.7 | 172.9 | 0 | 0 | 0 | 109.5 | T2127 Q2131 | T2127-I2129 PolarHBondContact O-N 2.84Å; I2129-Q2131 PolarHBondContact O-N 2.81Å | ||
| 2130 | V | 26.1 | Very low | 23.9 | Very low | 135.4 Ų | 135.4 | 147.6 Ų | 147.6 | 82% | 0.821 | 82% | 0.815 | S | S | * | * | trans | -109 | 108 | 146.2 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | G2128 R2132 | G2128-V2130 PolarHBondContact O-N 3.06Å; V2130-R2132 PolarHBondContact O-N 3.23Å | ||
| 2131 | Q | 22.8 | Very low | 23.7 | Very low | 166.8 Ų | 166.8 | 142.7 Ų | 142.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -102 | 114.3 | 177.5 | -173.7 | 161.3 | -11.3 | 0 | 0 | 110 | I2129 Q2133 | I2129-Q2131 PolarHBondContact O-N 2.81Å; Q2131-Q2133 VanDerWaalsContact C-N 3.26Å; Q2131-Q2133 PolarHBondContact O-N 3.23Å | ||
| 2132 | R | 20.9 | Very low | 23.7 | Very low | 235.6 Ų | 235.6 | 138.9 Ų | 138.9 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | trans | -94.7 | 96.3 | 166 | -149.4 | 177.5 | -172 | -168.7 | 2.1 | 110.4 | V2130 T2134 | V2130-R2132 PolarHBondContact O-N 3.23Å; R2132-T2134 PolarHBondContact O-N 3.02Å; R2132-T2134 VanDerWaalsContact O-N 3.15Å | ||
| 2133 | Q | 22 | Very low | 23.6 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -66.2 | 106.9 | 159.2 | -131 | 172.3 | -7.1 | 0 | 0 | 110.7 | Q2131 T2135 | Q2131-Q2133 VanDerWaalsContact C-N 3.26Å; Q2131-Q2133 PolarHBondContact O-N 3.23Å; Q2133-T2135 PolarHBondContact O-N 3.15Å | ||
| 2134 | T | 22.7 | Very low | 23.5 | Very low | 123.2 Ų | 123.2 | 130.6 Ų | 130.6 | 76% | 0.756 | 80% | 0.801 | S | S | * | * | trans | -78.6 | 115.5 | 146.5 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | R2132 P2136 | R2132-T2134 PolarHBondContact O-N 3.02Å; R2132-T2134 VanDerWaalsContact O-N 3.15Å; T2134-P2136 WeakPolarHBondContact O-CD 3.47Å | ||
| 2135 | T | 24.5 | Very low | 23.4 | Very low | 132.8 Ų | 132.8 | 131.9 Ų | 131.9 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -118 | 139.6 | 151.9 | 33.8 | 0 | 0 | 0 | 0 | 110.6 | Q2133 A2137 | Q2133-T2135 PolarHBondContact O-N 3.15Å; T2135-A2137 PolarHBondContact O-N 3.27Å | ||
| 2136 | P | 27.9 | Very low | 23.7 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -101.9 | 143.1 | -169.7 | 32.2 | -21.5 | 0 | 0 | 0 | 111.5 | T2134 I2138 | T2134-P2136 WeakPolarHBondContact O-CD 3.47Å; P2136-I2138 PolarHBondContact O-N 2.88Å | ||
| 2137 | A | 23.3 | Very low | 23.5 | Very low | 91.4 Ų | 91.4 | 138.5 Ų | 138.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -128.3 | 121.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T2135 C2139 | T2135-A2137 PolarHBondContact O-N 3.27Å; A2137-C2139 PolarHBondContact O-N 3.22Å; A2137-C2139 VanDerWaalsContact O-N 3.16Å; A2137-C2139 PolarHBondContact O-SG 2.84Å; A2137-C2139 VanDerWaalsContact O-SG 3.34Å | ||
| 2138 | I | 23.4 | Very low | 23.5 | Very low | 147.8 Ų | 147.8 | 137.6 Ų | 137.6 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | trans | -33 | 106.9 | 159.8 | -57.7 | 170.3 | 0 | 0 | 0 | 111.7 | P2136 T2140 | P2136-I2138 PolarHBondContact O-N 2.88Å; I2138-T2140 HydrophobicContact CG2-CG2 4.07Å; I2138-T2140 PolarHBondContact O-N 3.47Å | ||
| 2139 | C | 19.7 | Very low | 23.4 | Very low | 130.4 Ų | 130.4 | 142.8 Ų | 142.8 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -88.5 | 113.8 | 165.7 | -57 | 0 | 0 | 0 | 0 | 108.9 | A2137 A2141 | A2137-C2139 PolarHBondContact O-N 3.22Å; A2137-C2139 VanDerWaalsContact O-N 3.16Å; A2137-C2139 PolarHBondContact O-SG 2.84Å; A2137-C2139 VanDerWaalsContact O-SG 3.34Å; C2139-A2141 PolarHBondContact O-N 3.24Å | ||
| 2140 | T | 23.7 | Very low | 23.3 | Very low | 125.2 Ų | 125.2 | 138.4 Ų | 138.4 | 77% | 0.768 | 81% | 0.805 | S | S | * | * | trans | -103.6 | 125.5 | 170.6 | 43.5 | 0 | 0 | 0 | 0 | 110.2 | I2138 S2142 | I2138-T2140 HydrophobicContact CG2-CG2 4.07Å; I2138-T2140 PolarHBondContact O-N 3.47Å; T2140-S2142 PolarHBondContact O-N 3.44Å | ||
| 2141 | A | 22.5 | Very low | 23.2 | Very low | 95.6 Ų | 95.6 | 142.6 Ų | 142.6 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -78.3 | 136.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C2139 G2143 | C2139-A2141 PolarHBondContact O-N 3.24Å; A2141-G2143 PolarHBondContact O-N 3.37Å | ||
| 2142 | S | 23.6 | Very low | 23.6 | Very low | 122.2 Ų | 122.2 | 140.2 Ų | 140.2 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 115.2 | 106.6 | 141.4 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | T2140 | T2140-S2142 PolarHBondContact O-N 3.44Š| ||
| 2143 | G | 23 | Very low | 23.8 | Very low | 75.2 Ų | 75.2 | 135.2 Ų | 135.2 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -115 | 141 | 166 | 0 | 0 | 0 | 0 | 0 | 110.5 | A2141 | A2141-G2143 PolarHBondContact O-N 3.37Š| ||
| 2144 | S | 22.7 | Very low | 24.2 | Very low | 116.6 Ų | 116.6 | 133 Ų | 133 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -121.3 | 135.6 | 167.4 | -82 | 0 | 0 | 0 | 0 | 112.5 | L2146 | S2144-L2146 PolarHBondContact O-N 3.09Š| ||
| 2145 | F | 21.1 | Very low | 24.5 | Very low | 197.6 Ų | 197.6 | 131.5 Ų | 131.5 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 30.6 | 105.6 | 155.1 | -107.5 | -93.6 | 0 | 0 | 0 | 114.3 | K2147 | F2145-K2147 PolarHBondContact O-N 3.22Š| ||
| 2146 | L | 26.5 | Very low | 24.5 | Very low | 172.6 Ų | 172.6 | 130.6 Ų | 130.6 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -149.9 | 123.8 | 138.5 | -87.6 | 176.1 | 0 | 0 | 0 | 110.9 | S2144 P2148 | S2144-L2146 PolarHBondContact O-N 3.09Å; L2146-P2148 VanDerWaalsContact O-CD 3.3Å; L2146-P2148 WeakPolarHBondContact O-CD 3.32Å | ||
| 2147 | K | 21 | Very low | 24.4 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -71.5 | 132.3 | 176.5 | -175.8 | 169.9 | -178.7 | 172.9 | 0 | 112.7 | F2145 Q2149 | F2145-K2147 PolarHBondContact O-N 3.22Å; K2147-Q2149 HydrophobicContact CG-CB 4.39Å; K2147-Q2149 VanDerWaalsContact NZ-OE1 3.11Å; K2147-Q2149 PolarHBondContact O-N 3.06Å | ||
| 2148 | P | 24.8 | Very low | 24.7 | Very low | 122.8 Ų | 122.8 | 135.5 Ų | 135.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -95.8 | 129.1 | 165.3 | 17.7 | -6 | 0 | 0 | 0 | 111.6 | L2146 | L2146-P2148 VanDerWaalsContact O-CD 3.3Å; L2146-P2148 WeakPolarHBondContact O-CD 3.32Å | ||
| 2149 | Q | 24.5 | Very low | 24.8 | Very low | 180.4 Ų | 180.4 | 133.7 Ų | 133.7 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -86.5 | 127.2 | 155 | -126.7 | 177.7 | -19.8 | 0 | 0 | 111.4 | K2147 | K2147-Q2149 HydrophobicContact CG-CB 4.39Å; K2147-Q2149 VanDerWaalsContact NZ-OE1 3.11Å; K2147-Q2149 PolarHBondContact O-N 3.06Å | ||
| 2150 | G | 23.5 | Very low | 25.1 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -88.6 | 134.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2151 | Y | 23.5 | Very low | 25.4 | Very low | 223.2 Ų | 223.2 | 132.4 Ų | 132.4 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -102.2 | 149.3 | 152.9 | -80.5 | -84.7 | 0 | 0 | 0 | 111.6 | ||||
| 2152 | P | 31.4 | Very low | 25.7 | Very low | 116.8 Ų | 116.8 | 137.6 Ų | 137.6 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -104.3 | 154.7 | -158.4 | 32.7 | -25.3 | 0 | 0 | 0 | 115.1 | P2154 | P2152-P2154 WeakPolarHBondContact O-CD 3.34Š| ||
| 2153 | T | 23.7 | Very low | 26.1 | Very low | 129.6 Ų | 129.6 | 138 Ų | 138 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | trans | -61.6 | 145 | 171.6 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2154 | P | 31.4 | Very low | 26.8 | Very low | 125.4 Ų | 125.4 | 138.2 Ų | 138.2 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -107.8 | 147.6 | 133.2 | 16.4 | 0.6 | 0 | 0 | 0 | 111.8 | P2152 | P2152-P2154 WeakPolarHBondContact O-CD 3.34Š| ||
| 2155 | A | 28.2 | Very low | 28.3 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -53 | 117.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q2157 | A2155-Q2157 PolarHBondContact O-N 3.03Å; A2155-Q2157 VanDerWaalsContact O-N 3.1Å | ||
| 2156 | S | 25.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 8.9 | 104.7 | 145.6 | 57.4 | 0 | 0 | 0 | 0 | 117 | P2158 | S2156-P2158 WeakPolarHBondContact O-CD 3.23Š| ||
| 2157 | Q | 25.3 | Very low | 31.7 | Very low | 180.6 Ų | 180.6 | 125.3 Ų | 125.3 | 84% | 0.844 | 73% | 0.732 | S | S | * | * | trans | -123 | 131.6 | 145.3 | -98.7 | 176.1 | -11.4 | 0 | 0 | 108.8 | A2155 S2159 | A2155-Q2157 PolarHBondContact O-N 3.03Å; A2155-Q2157 VanDerWaalsContact O-N 3.1Å; Q2157-S2159 PolarHBondContact O-N 3.25Å | ||
| 2158 | P | 29.7 | Very low | 34.1 | Very low | 126.2 Ų | 126.2 | 118.1 Ų | 118.1 | 82% | 0.819 | 71% | 0.709 | S | S | * | * | trans | -73.3 | 115.3 | -171.4 | 28.9 | -31.6 | 0 | 0 | 0 | 110.1 | S2156 A2160 | S2156-P2158 WeakPolarHBondContact O-CD 3.23Å; P2158-A2160 PolarHBondContact O-N 3.07Å; P2158-A2160 VanDerWaalsContact O-N 3.11Å | ||
| 2159 | S | 25 | Very low | 36.3 | Very low | 109.6 Ų | 109.6 | 113.9 Ų | 113.9 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -65.5 | 116.4 | 171.9 | -50.6 | 0 | 0 | 0 | 0 | 109.3 | Q2157 N2161 | Q2157-S2159 PolarHBondContact O-N 3.25Å; S2159-N2161 VanDerWaalsContact C-N 3.29Å; S2159-N2161 PolarHBondContact O-N 3.01Å; S2159-N2161 VanDerWaalsContact O-N 3.08Å | ||
| 2160 | A | 27.5 | Very low | 38.8 | Very low | 88.2 Ų | 88.2 | 106.4 Ų | 106.4 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | trans | -61.9 | 100.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | P2158 F2162 | P2158-A2160 PolarHBondContact O-N 3.07Å; P2158-A2160 VanDerWaalsContact O-N 3.11Å; A2160-F2162 PolarHBondContact O-N 3.31Å; A2160-F2162 VanDerWaalsContact O-N 3.13Å | ||
| 2161 | N | 28.8 | Very low | 41.6 | Very low | 139.4 Ų | 139.4 | 106.7 Ų | 106.7 | 75% | 0.745 | 63% | 0.629 | S | S | * | * | trans | -64.9 | 116.2 | 170.9 | -89.8 | -10 | 0 | 0 | 0 | 109.3 | S2159 Q2163 | S2159-N2161 VanDerWaalsContact C-N 3.29Å; S2159-N2161 PolarHBondContact O-N 3.01Å; S2159-N2161 VanDerWaalsContact O-N 3.08Å; N2161-Q2163 VanDerWaalsContact C-N 3.31Å; N2161-Q2163 PolarHBondContact O-N 3.13Å; N2161-Q2163 VanDerWaalsContact O-N 3.12Å | ||
| 2162 | F | 29.3 | Very low | 44.3 | Very low | 204.8 Ų | 204.8 | 102.6 Ų | 102.6 | 90% | 0.898 | 62% | 0.616 | S | S | * | * | trans | -65.8 | 83.3 | 171 | -81.2 | -97.6 | 0 | 0 | 0 | 110.9 | A2160 | A2160-F2162 PolarHBondContact O-N 3.31Å; A2160-F2162 VanDerWaalsContact O-N 3.13Å | ||
| 2163 | Q | 31.1 | Very low | 46.7 | Very low | 131 Ų | 131 | 97.1 Ų | 97.1 | 61% | 0.612 | 58% | 0.58 | S | S | * | * | trans | -122.3 | 23.1 | 176.1 | -146.6 | 175.7 | -8.8 | 0 | 0 | 112.5 | N2161 P2165 S2167 R2213 | N2161-Q2163 VanDerWaalsContact C-N 3.31Å; N2161-Q2163 PolarHBondContact O-N 3.13Å; N2161-Q2163 VanDerWaalsContact O-N 3.12Å; Q2163-P2165 VanDerWaalsContact C-CD 3.44Å; Q2163-S2167 PolarHBondContact O-OG 3.18Å; Q2163-R2213 VanDerWaalsContact NE2-NH2 3.19Å | ||
| 2164 | A | 39.6 | Very low | 49.6 | Very low | 78.4 Ų | 78.4 | 91.2 Ų | 91.2 | 65% | 0.648 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -85.2 | -15.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | L2166 S2167 G2168 | A2164-L2166 PolarHBondContact O-N 3.39Å; A2164-S2167 PolarHBondContact O-OG 3.16Å; A2164-G2168 PolarHBondContact O-N 3.12Å |
| 2165 | P | 53.2 | Low | 52.2 | Low | 99.6 Ų | 99.6 | 86.3 Ų | 86.3 | 65% | 0.647 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76 | -34.5 | -175.3 | -5.3 | 13.4 | 0 | 0 | 0 | 115.1 | Q2163 L2169 | Q2163-P2165 VanDerWaalsContact C-CD 3.44Å; P2165-L2169 PolarHBondContact O-N 2.99Å |
| 2166 | L | 54.8 | Low | 54.9 | Low | 68.2 Ų | 68.2 | 84.4 Ų | 84.4 | 36% | 0.357 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.3 | -40.5 | -174.9 | -72.1 | 169.8 | 0 | 0 | 0 | 112.7 | A2164 G2168 L2169 F2170 L2265 T2268 | A2164-L2166 PolarHBondContact O-N 3.39Å; L2166-G2168 VanDerWaalsContact C-N 3.34Å; L2166-G2168 PolarHBondContact O-N 3.14Å; L2166-L2169 WeakPolarHBondContact O-CB 3.27Å; L2166-L2169 PolarHBondContact O-N 3.27Å; L2166-F2170 HydrophobicContact CB-CE2 4.44Å; L2166-F2170 VanDerWaalsContact O-CD2 3.24Å; L2166-F2170 WeakPolarHBondContact O-CD2 3.44Å; L2166-F2170 PolarHBondContact O-N 3.29Å; L2166-F2170 VanDerWaalsContact O-N 3.12Å; L2166-L2265 HydrophobicContact CD2-CD2 3.77Å; L2166-L2265 HydrophobicContact CD2-CG 4.45Å; L2166-T2268 HydrophobicContact CD1-CG2 4.36Å; L2166-T2268 HydrophobicContact CD2-CG2 4.18Å |
| 2167 | S | 65 | Low | 57.9 | Low | 49.6 Ų | 49.6 | 79 Ų | 79 | 35% | 0.347 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | -179.5 | 17.4 | 0 | 0 | 0 | 0 | 111.9 | Q2163 A2164 L2169 F2170 D2171 | Q2163-S2167 PolarHBondContact O-OG 3.18Å; A2164-S2167 PolarHBondContact O-OG 3.16Å; S2167-L2169 VanDerWaalsContact C-N 3.26Å; S2167-L2169 PolarHBondContact O-N 3Å; S2167-F2170 PolarHBondContact O-N 3.23Å; S2167-D2171 PolarHBondContact O-N 3.02Å; S2167-D2171 VanDerWaalsContact O-N 3.16Å |
| 2168 | G | 70.3 | Confident | 61 | Low | 30.4 Ų | 30.4 | 74.4 Ų | 74.4 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.1 | -21.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A2164 L2166 K2172 | A2164-G2168 PolarHBondContact O-N 3.12Å; L2166-G2168 VanDerWaalsContact C-N 3.34Å; L2166-G2168 PolarHBondContact O-N 3.14Å; G2168-K2172 WeakPolarHBondContact O-CD 3.31Å; G2168-K2172 VanDerWaalsContact O-CG 3.29Å; G2168-K2172 WeakPolarHBondContact O-CG 3.38Å; G2168-K2172 PolarHBondContact O-N 3.17Å |
| 2169 | L | 71.8 | Confident | 63.8 | Low | 36 Ų | 36 | 76.6 Ų | 76.6 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -75.9 | -46.4 | 173.8 | -156.3 | 126.4 | 0 | 0 | 0 | 110.7 | P2165 L2166 S2167 D2171 K2172 I2173 H2261 L2265 | P2165-L2169 PolarHBondContact O-N 2.99Å; L2166-L2169 WeakPolarHBondContact O-CB 3.27Å; L2166-L2169 PolarHBondContact O-N 3.27Å; S2167-L2169 VanDerWaalsContact C-N 3.26Å; S2167-L2169 PolarHBondContact O-N 3Å; L2169-D2171 VanDerWaalsContact C-N 3.29Å; L2169-D2171 PolarHBondContact O-N 3.13Å; L2169-K2172 WeakPolarHBondContact O-CB 3.35Å; L2169-K2172 PolarHBondContact O-N 3.13Å; L2169-K2172 VanDerWaalsContact O-N 3.1Å; L2169-I2173 HydrophobicContact CD2-CD1 3.88Å; L2169-I2173 HydrophobicContact CD2-CG1 4.27Å; L2169-I2173 HydrophobicContact CG-CD1 4.37Å; L2169-I2173 WeakPolarHBondContact O-CG1 3.31Å; L2169-I2173 PolarHBondContact O-N 3.2Å; L2169-H2261 HydrophobicContact CD1-CB 4.48Å; L2169-H2261 HydrophobicContact CD2-CB 3.75Å; L2169-L2265 HydrophobicContact CD1-CD1 3.9Å; L2169-L2265 HydrophobicContact CD1-CG 4.21Å; L2169-L2265 HydrophobicContact CD2-CD1 3.69Å; L2169-L2265 HydrophobicContact CD2-CD2 4.16Å; L2169-L2265 HydrophobicContact CD2-CG 4.11Å |
| 2170 | F | 77.4 | Confident | 66.8 | Low | 23.4 Ų | 23.4 | 72.5 Ų | 72.5 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 174.9 | -66.4 | -60.5 | 0 | 0 | 0 | 112.3 | L2166 S2167 K2172 I2173 S2174 V2206 A2209 K2210 I2221 M2262 | L2166-F2170 HydrophobicContact CB-CE2 4.44Å; L2166-F2170 VanDerWaalsContact O-CD2 3.24Å; L2166-F2170 WeakPolarHBondContact O-CD2 3.44Å; L2166-F2170 PolarHBondContact O-N 3.29Å; L2166-F2170 VanDerWaalsContact O-N 3.12Å; S2167-F2170 PolarHBondContact O-N 3.23Å; F2170-K2172 VanDerWaalsContact C-N 3.33Å; F2170-K2172 PolarHBondContact O-N 2.96Å; F2170-I2173 HydrophobicContact CD1-CD1 4.22Å; F2170-I2173 PolarHBondContact O-N 3.14Å; F2170-S2174 WeakPolarHBondContact O-CB 3.26Å; F2170-S2174 PolarHBondContact O-N 3.12Å; F2170-S2174 PolarHBondContact O-OG 3Å; F2170-V2206 HydrophobicContact CB-CG1 4.1Å; F2170-V2206 HydrophobicContact CD1-CG1 4.13Å; F2170-A2209 HydrophobicContact CD1-CB 4.37Å; F2170-A2209 HydrophobicContact CE1-CB 4.05Å; F2170-A2209 HydrophobicContact CE2-CB 4.49Å; F2170-A2209 HydrophobicContact CZ-CB 4.12Å; F2170-K2210 VanDerWaalsContact C-CE 3.41Å; F2170-K2210 HydrophobicContact CB-CD 4.1Å; F2170-K2210 HydrophobicContact CB-CG 3.57Å; F2170-K2210 HydrophobicContact CD2-CG 4.27Å; F2170-K2210 HydrophobicContact CG-CG 4.15Å; F2170-I2221 HydrophobicContact CD1-CD1 4.41Å; F2170-I2221 HydrophobicContact CE1-CD1 3.85Å; F2170-M2262 HydrophobicContact CE1-SD 4.46Å |
| 2171 | D | 81 | Confident | 69.7 | Low | 76.2 Ų | 76.2 | 69.2 Ų | 69.2 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 171.7 | -76.6 | -35.9 | 0 | 0 | 0 | 112.4 | S2167 L2169 I2173 S2174 G2175 K2210 | S2167-D2171 PolarHBondContact O-N 3.02Å; S2167-D2171 VanDerWaalsContact O-N 3.16Å; L2169-D2171 VanDerWaalsContact C-N 3.29Å; L2169-D2171 PolarHBondContact O-N 3.13Å; D2171-I2173 PolarHBondContact O-N 2.84Å; D2171-S2174 PolarHBondContact O-N 3.47Å; D2171-S2174 PolarHBondContact O-OG 2.98Å; D2171-G2175 PolarHBondContact O-N 3.16Å; D2171-G2175 VanDerWaalsContact O-N 3.09Å; D2171-K2210 VanDerWaalsContact CG-NZ 3.28Å; D2171-K2210 WeakPolarHBondContact OD1-CE 3.36Å; D2171-K2210 IonicContact OD1-NZ 3.03Å; D2171-K2210 PolarHBondContact OD1-NZ 3.02Å; D2171-K2210 IonicContact OD2-NZ 3.38Å; D2171-K2210 PolarHBondContact OD2-NZ 3.05Å; D2171-K2210 VanDerWaalsContact OD2-NZ 3.08Å |
| 2172 | K | 80.3 | Confident | 72.4 | Confident | 136 Ų | 136 | 68.2 Ų | 68.2 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.7 | -42 | 174.5 | -73.6 | 172.2 | -175.7 | 178.2 | 0 | 111.9 | G2168 L2169 F2170 Q2176 | G2168-K2172 WeakPolarHBondContact O-CD 3.31Å; G2168-K2172 VanDerWaalsContact O-CG 3.29Å; G2168-K2172 WeakPolarHBondContact O-CG 3.38Å; G2168-K2172 PolarHBondContact O-N 3.17Å; L2169-K2172 WeakPolarHBondContact O-CB 3.35Å; L2169-K2172 PolarHBondContact O-N 3.13Å; L2169-K2172 VanDerWaalsContact O-N 3.1Å; F2170-K2172 VanDerWaalsContact C-N 3.33Å; F2170-K2172 PolarHBondContact O-N 2.96Å; K2172-Q2176 WeakPolarHBondContact O-CB 3.36Å; K2172-Q2176 VanDerWaalsContact O-CG 3.27Å; K2172-Q2176 WeakPolarHBondContact O-CG 3.39Å; K2172-Q2176 PolarHBondContact O-N 3.19Å |
| 2173 | I | 81.7 | Confident | 75.1 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -53.3 | 177.2 | -66.3 | 168.9 | 0 | 0 | 0 | 109.6 | L2169 F2170 D2171 G2175 Q2176 I2177 V2206 T2258 H2261 M2262 | L2169-I2173 HydrophobicContact CD2-CD1 3.88Å; L2169-I2173 HydrophobicContact CD2-CG1 4.27Å; L2169-I2173 HydrophobicContact CG-CD1 4.37Å; L2169-I2173 WeakPolarHBondContact O-CG1 3.31Å; L2169-I2173 PolarHBondContact O-N 3.2Å; F2170-I2173 HydrophobicContact CD1-CD1 4.22Å; F2170-I2173 PolarHBondContact O-N 3.14Å; D2171-I2173 PolarHBondContact O-N 2.84Å; I2173-G2175 PolarHBondContact O-N 3.1Å; I2173-Q2176 PolarHBondContact O-N 3.08Å; I2173-Q2176 VanDerWaalsContact O-N 3.14Å; I2173-I2177 HydrophobicContact CG2-CD1 3.68Å; I2173-I2177 HydrophobicContact CG2-CG1 4.41Å; I2173-I2177 VanDerWaalsContact O-CG1 3.31Å; I2173-I2177 WeakPolarHBondContact O-CG1 3.41Å; I2173-I2177 PolarHBondContact O-N 3.22Å; I2173-V2206 HydrophobicContact CB-CG1 4.34Å; I2173-V2206 HydrophobicContact CG2-CG1 4.13Å; I2173-V2206 HydrophobicContact CG2-CG2 3.91Å; I2173-T2258 HydrophobicContact CG2-CG2 3.88Å; I2173-H2261 HydrophobicContact CD1-CB 3.67Å; I2173-H2261 HydrophobicContact CG1-CB 3.57Å; I2173-M2262 HydrophobicContact CD1-SD 4.42Å |
| 2174 | S | 85.1 | Confident | 77.6 | Confident | 4.6 Ų | 4.6 | 53.6 Ų | 53.6 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -50.4 | -179.7 | 145.9 | 0 | 0 | 0 | 0 | 111.6 | F2170 D2171 Q2176 I2177 E2178 H2207 | F2170-S2174 WeakPolarHBondContact O-CB 3.26Å; F2170-S2174 PolarHBondContact O-N 3.12Å; F2170-S2174 PolarHBondContact O-OG 3Å; D2171-S2174 PolarHBondContact O-N 3.47Å; D2171-S2174 PolarHBondContact O-OG 2.98Å; S2174-Q2176 VanDerWaalsContact C-N 3.29Å; S2174-Q2176 PolarHBondContact O-N 3.38Å; S2174-Q2176 VanDerWaalsContact O-N 3.17Å; S2174-I2177 PolarHBondContact O-N 3Å; S2174-I2177 VanDerWaalsContact O-N 3.14Å; S2174-E2178 WeakPolarHBondContact O-CB 3.33Å; S2174-E2178 WeakPolarHBondContact O-CG 3.36Å; S2174-E2178 PolarHBondContact O-N 3.11Å; S2174-E2178 PolarHBondContact OG-OE1 3.15Å; S2174-E2178 VanDerWaalsContact OG-OE1 3.12Å; S2174-H2207 PolarHBondContact OG-CE1 3.32Å; S2174-H2207 PolarHBondContact OG-NE2 2.85Å |
| 2175 | G | 85.8 | Confident | 79.7 | Confident | 22.2 Ų | 22.2 | 52.4 Ų | 52.4 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -25.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | D2171 I2173 R2179 | D2171-G2175 PolarHBondContact O-N 3.16Å; D2171-G2175 VanDerWaalsContact O-N 3.09Å; I2173-G2175 PolarHBondContact O-N 3.1Å; G2175-R2179 WeakPolarHBondContact O-CD 3.47Å; G2175-R2179 VanDerWaalsContact O-CG 3.26Å; G2175-R2179 WeakPolarHBondContact O-CG 3.33Å; G2175-R2179 PolarHBondContact O-N 3.09Å; G2175-R2179 PolarHBondContact O-NE 3.4Å |
| 2176 | Q | 85.1 | Confident | 80.8 | Confident | 51.6 Ų | 51.6 | 51 Ų | 51 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -77.5 | -43.9 | 172.8 | -73.7 | -142.3 | 11.6 | 0 | 0 | 111.9 | K2172 I2173 S2174 E2178 R2179 H2180 H2261 | K2172-Q2176 WeakPolarHBondContact O-CB 3.36Å; K2172-Q2176 VanDerWaalsContact O-CG 3.27Å; K2172-Q2176 WeakPolarHBondContact O-CG 3.39Å; K2172-Q2176 PolarHBondContact O-N 3.19Å; I2173-Q2176 PolarHBondContact O-N 3.08Å; I2173-Q2176 VanDerWaalsContact O-N 3.14Å; S2174-Q2176 VanDerWaalsContact C-N 3.29Å; S2174-Q2176 PolarHBondContact O-N 3.38Å; S2174-Q2176 VanDerWaalsContact O-N 3.17Å; Q2176-E2178 VanDerWaalsContact C-N 3.27Å; Q2176-E2178 PolarHBondContact O-N 3.31Å; Q2176-R2179 VanDerWaalsContact CD-NH1 3.29Å; Q2176-R2179 VanDerWaalsContact NE2-NH1 3.14Å; Q2176-R2179 WeakPolarHBondContact O-CB 3.42Å; Q2176-R2179 PolarHBondContact O-N 2.97Å; Q2176-R2179 VanDerWaalsContact O-N 3.16Å; Q2176-R2179 VanDerWaalsContact OE1-CD 3.25Å; Q2176-H2180 PolarHBondContact O-CD2 3.18Å; Q2176-H2180 PolarHBondContact O-N 3.21Å; Q2176-H2180 VanDerWaalsContact O-N 3.14Å; Q2176-H2261 VanDerWaalsContact CD-CE1 3.46Å; Q2176-H2261 PolarHBondContact NE2-CE1 3.22Å; Q2176-H2261 PolarHBondContact NE2-NE2 2.89Å; Q2176-H2261 PolarHBondContact OE1-CD2 3.18Å; Q2176-H2261 PolarHBondContact OE1-CE1 3.13Å; Q2176-H2261 PolarHBondContact OE1-ND1 2.82Å; Q2176-H2261 PolarHBondContact OE1-NE2 3.37Å |
| 2177 | I | 87.2 | Confident | 81.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 175.9 | -58.5 | 161.5 | 0 | 0 | 0 | 109.9 | I2173 S2174 R2179 H2180 L2181 L2199 L2202 I2203 V2206 T2258 | I2173-I2177 HydrophobicContact CG2-CD1 3.68Å; I2173-I2177 HydrophobicContact CG2-CG1 4.41Å; I2173-I2177 VanDerWaalsContact O-CG1 3.31Å; I2173-I2177 WeakPolarHBondContact O-CG1 3.41Å; I2173-I2177 PolarHBondContact O-N 3.22Å; S2174-I2177 PolarHBondContact O-N 3Å; S2174-I2177 VanDerWaalsContact O-N 3.14Å; I2177-R2179 PolarHBondContact O-N 3.06Å; I2177-H2180 PolarHBondContact O-N 3.2Å; I2177-L2181 VanDerWaalsContact O-CB 3.31Å; I2177-L2181 WeakPolarHBondContact O-CB 3.38Å; I2177-L2181 PolarHBondContact O-N 3.19Å; I2177-L2199 HydrophobicContact CG2-CD2 4.21Å; I2177-L2202 HydrophobicContact CD1-CD2 3.98Å; I2177-L2202 HydrophobicContact CD1-CG 3.99Å; I2177-I2203 HydrophobicContact CB-CD1 4.34Å; I2177-I2203 HydrophobicContact CB-CG1 3.91Å; I2177-I2203 HydrophobicContact CD1-CG1 4.46Å; I2177-I2203 HydrophobicContact CG2-CD1 3.83Å; I2177-I2203 HydrophobicContact CG2-CG1 3.57Å; I2177-V2206 HydrophobicContact CD1-CG2 4.36Å; I2177-T2258 WeakPolarHBondContact CD1-OG1 3.35Å; I2177-T2258 WeakPolarHBondContact CG1-OG1 3.4Å |
| 2178 | E | 90.5 | Very high | 82 | Confident | 83.2 Ų | 83.2 | 50.8 Ų | 50.8 | 39% | 0.389 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 175.6 | -75.5 | 178.1 | 173.8 | 0 | 0 | 112.7 | S2174 Q2176 H2180 L2181 I2182 I2203 | S2174-E2178 WeakPolarHBondContact O-CB 3.33Å; S2174-E2178 WeakPolarHBondContact O-CG 3.36Å; S2174-E2178 PolarHBondContact O-N 3.11Å; S2174-E2178 PolarHBondContact OG-OE1 3.15Å; S2174-E2178 VanDerWaalsContact OG-OE1 3.12Å; Q2176-E2178 VanDerWaalsContact C-N 3.27Å; Q2176-E2178 PolarHBondContact O-N 3.31Å; E2178-H2180 VanDerWaalsContact C-N 3.34Å; E2178-H2180 PolarHBondContact O-N 2.93Å; E2178-L2181 PolarHBondContact O-N 3.14Å; E2178-I2182 WeakPolarHBondContact O-CD1 3.37Å; E2178-I2182 VanDerWaalsContact O-CG1 3.28Å; E2178-I2182 WeakPolarHBondContact O-CG1 3.4Å; E2178-I2182 PolarHBondContact O-N 3.1Å; E2178-I2203 HydrophobicContact CG-CD1 3.84Å |
| 2179 | R | 89.1 | Confident | 81.5 | Confident | 172.8 Ų | 172.8 | 61.3 Ų | 61.3 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 176.1 | -73.2 | 168.8 | -169.5 | -167.1 | -0.1 | 111.9 | E2026 G2175 Q2176 I2177 I2182 A2183 | E2026-R2179 IonicContact OE1-CZ 3.63Å; E2026-R2179 IonicContact OE1-NH1 2.97Å; E2026-R2179 PolarHBondContact OE1-NH1 3.31Å; G2175-R2179 WeakPolarHBondContact O-CD 3.47Å; G2175-R2179 VanDerWaalsContact O-CG 3.26Å; G2175-R2179 WeakPolarHBondContact O-CG 3.33Å; G2175-R2179 PolarHBondContact O-N 3.09Å; G2175-R2179 PolarHBondContact O-NE 3.4Å; Q2176-R2179 VanDerWaalsContact CD-NH1 3.29Å; Q2176-R2179 VanDerWaalsContact NE2-NH1 3.14Å; Q2176-R2179 WeakPolarHBondContact O-CB 3.42Å; Q2176-R2179 PolarHBondContact O-N 2.97Å; Q2176-R2179 VanDerWaalsContact O-N 3.16Å; Q2176-R2179 VanDerWaalsContact OE1-CD 3.25Å; I2177-R2179 PolarHBondContact O-N 3.06Å; R2179-I2182 PolarHBondContact O-N 3.15Å; R2179-A2183 WeakPolarHBondContact O-CB 3.4Å; R2179-A2183 PolarHBondContact O-N 3.02Å; R2179-A2183 VanDerWaalsContact O-N 3.11Å |
| 2180 | H | 87.7 | Confident | 81.2 | Confident | 24.2 Ų | 24.2 | 63.1 Ų | 63.1 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 177 | -71.1 | -68.3 | 0 | 0 | 0 | 111.9 | Q2176 I2177 E2178 I2182 A2183 I2184 H2250 E2253 A2254 | Q2176-H2180 PolarHBondContact O-CD2 3.18Å; Q2176-H2180 PolarHBondContact O-N 3.21Å; Q2176-H2180 VanDerWaalsContact O-N 3.14Å; I2177-H2180 PolarHBondContact O-N 3.2Å; E2178-H2180 VanDerWaalsContact C-N 3.34Å; E2178-H2180 PolarHBondContact O-N 2.93Å; H2180-I2182 VanDerWaalsContact C-N 3.35Å; H2180-I2182 PolarHBondContact O-N 3.31Å; H2180-A2183 WeakPolarHBondContact O-CB 3.27Å; H2180-A2183 PolarHBondContact O-N 3.1Å; H2180-I2184 WeakPolarHBondContact O-CB 3.36Å; H2180-I2184 WeakPolarHBondContact O-CD1 3.32Å; H2180-I2184 VanDerWaalsContact O-CG1 3.24Å; H2180-I2184 WeakPolarHBondContact O-CG1 3.4Å; H2180-I2184 PolarHBondContact O-N 3.19Å; H2180-H2250 AromaticContact CE1-ND1 3.9Å; H2180-H2250 AromaticContact ND1-CG 3.96Å; H2180-H2250 AromaticContact ND1-ND1 3.45Å; H2180-H2250 PolarHBondContact ND1-ND1 3.03Å; H2180-H2250 PolarHBondContact ND1-O 3.14Å; H2180-E2253 VanDerWaalsContact CE1-CB 3.46Å; H2180-E2253 WeakPolarHBondContact CE1-CB 3.35Å; H2180-E2253 IonicContact CE1-OE2 3.37Å; H2180-E2253 PolarHBondContact CE1-OE2 2.88Å; H2180-E2253 IonicContact ND1-OE2 3.32Å; H2180-E2253 IonicContact NE2-OE2 2.66Å; H2180-A2254 HydrophobicContact CB-CB 3.76Å |
| 2181 | L | 88.1 | Confident | 80.3 | Confident | 17.6 Ų | 17.6 | 65.9 Ų | 65.9 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.7 | 178.9 | 60.8 | 0 | 0 | 0 | 111.7 | I2177 E2178 A2183 I2184 S2185 C2196 L2199 R2200 I2203 | I2177-L2181 VanDerWaalsContact O-CB 3.31Å; I2177-L2181 WeakPolarHBondContact O-CB 3.38Å; I2177-L2181 PolarHBondContact O-N 3.19Å; E2178-L2181 PolarHBondContact O-N 3.14Å; L2181-A2183 VanDerWaalsContact C-N 3.34Å; L2181-A2183 PolarHBondContact O-N 3.38Å; L2181-I2184 PolarHBondContact O-N 3.32Å; L2181-S2185 VanDerWaalsContact O-CB 3.25Å; L2181-S2185 WeakPolarHBondContact O-CB 3.34Å; L2181-S2185 PolarHBondContact O-N 3.18Å; L2181-S2185 PolarHBondContact O-OG 3.25Å; L2181-C2196 HydrophobicContact CD1-CB 3.95Å; L2181-L2199 HydrophobicContact CB-CD1 4.46Å; L2181-L2199 HydrophobicContact CD1-CB 4Å; L2181-L2199 HydrophobicContact CD1-CD1 4Å; L2181-R2200 HydrophobicContact CD2-CG 3.86Å; L2181-I2203 HydrophobicContact CD2-CD1 3.89Å |
| 2182 | I | 86.6 | Confident | 79.7 | Confident | 120.2 Ų | 120.2 | 69.3 Ų | 69.3 | 62% | 0.616 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 174.3 | -66.7 | 162.9 | 0 | 0 | 0 | 110.5 | E2178 R2179 H2180 I2184 S2185 G2186 | E2178-I2182 WeakPolarHBondContact O-CD1 3.37Å; E2178-I2182 VanDerWaalsContact O-CG1 3.28Å; E2178-I2182 WeakPolarHBondContact O-CG1 3.4Å; E2178-I2182 PolarHBondContact O-N 3.1Å; R2179-I2182 PolarHBondContact O-N 3.15Å; H2180-I2182 VanDerWaalsContact C-N 3.35Å; H2180-I2182 PolarHBondContact O-N 3.31Å; I2182-I2184 VanDerWaalsContact C-N 3.3Å; I2182-I2184 PolarHBondContact O-N 3.19Å; I2182-S2185 WeakPolarHBondContact CA-OG 3.33Å; I2182-S2185 PolarHBondContact O-N 3.34Å; I2182-S2185 PolarHBondContact O-OG 3.23Å; I2182-G2186 PolarHBondContact O-N 3.2Å |
| 2183 | A | 84.8 | Confident | 79.8 | Confident | 29.2 Ų | 29.2 | 64.1 Ų | 64.1 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R2179 H2180 L2181 R2187 | R2179-A2183 WeakPolarHBondContact O-CB 3.4Å; R2179-A2183 PolarHBondContact O-N 3.02Å; R2179-A2183 VanDerWaalsContact O-N 3.11Å; H2180-A2183 WeakPolarHBondContact O-CB 3.27Å; H2180-A2183 PolarHBondContact O-N 3.1Å; L2181-A2183 VanDerWaalsContact C-N 3.34Å; L2181-A2183 PolarHBondContact O-N 3.38Å; A2183-R2187 VanDerWaalsContact O-CD 3.29Å; A2183-R2187 WeakPolarHBondContact O-CD 3.37Å; A2183-R2187 VanDerWaalsContact O-CG 3.27Å; A2183-R2187 WeakPolarHBondContact O-CG 3.33Å; A2183-R2187 PolarHBondContact O-NE 2.93Å; A2183-R2187 VanDerWaalsContact O-NE 3.1Å; A2183-R2187 PolarHBondContact O-NH1 3.36Å |
| 2184 | I | 84.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -77 | -50 | 177.8 | -72.2 | 166.4 | 0 | 0 | 0 | 110.9 | H2180 L2181 I2182 G2186 R2187 L2188 M2195 L2199 T2247 H2250 L2251 | H2180-I2184 WeakPolarHBondContact O-CB 3.36Å; H2180-I2184 WeakPolarHBondContact O-CD1 3.32Å; H2180-I2184 VanDerWaalsContact O-CG1 3.24Å; H2180-I2184 WeakPolarHBondContact O-CG1 3.4Å; H2180-I2184 PolarHBondContact O-N 3.19Å; L2181-I2184 PolarHBondContact O-N 3.32Å; I2182-I2184 VanDerWaalsContact C-N 3.3Å; I2182-I2184 PolarHBondContact O-N 3.19Å; I2184-G2186 VanDerWaalsContact C-N 3.29Å; I2184-G2186 PolarHBondContact O-N 3.13Å; I2184-R2187 WeakPolarHBondContact O-CA 3.26Å; I2184-R2187 WeakPolarHBondContact O-CB 3.36Å; I2184-R2187 PolarHBondContact O-N 3.15Å; I2184-L2188 HydrophobicContact CG2-CD1 3.52Å; I2184-L2188 VanDerWaalsContact CG2-CD1 3.48Å; I2184-L2188 HydrophobicContact CG2-CG 4.33Å; I2184-L2188 WeakPolarHBondContact O-CG 3.32Å; I2184-L2188 PolarHBondContact O-N 3.12Å; I2184-L2188 VanDerWaalsContact O-N 3.1Å; I2184-M2195 HydrophobicContact CB-CE 4.45Å; I2184-M2195 HydrophobicContact CD1-CE 4.39Å; I2184-M2195 HydrophobicContact CG1-CE 4.46Å; I2184-M2195 HydrophobicContact CG2-CE 3.29Å; I2184-M2195 HydrophobicContact CG2-SD 4.46Å; I2184-L2199 HydrophobicContact CD1-CD1 3.69Å; I2184-T2247 HydrophobicContact CB-CG2 4.44Å; I2184-T2247 HydrophobicContact CG1-CG2 4.14Å; I2184-T2247 HydrophobicContact CG2-CG2 4.07Å; I2184-H2250 HydrophobicContact CD1-CB 4.12Å; I2184-H2250 HydrophobicContact CG1-CB 3.89Å; I2184-L2251 HydrophobicContact CD1-CB 4.25Å; I2184-L2251 HydrophobicContact CD1-CD1 4.31Å |
| 2185 | S | 83.1 | Confident | 79.8 | Confident | 52.2 Ų | 52.2 | 68 Ų | 68 | 37% | 0.365 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -33.8 | -178.9 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | L2181 I2182 R2187 L2188 | L2181-S2185 VanDerWaalsContact O-CB 3.25Å; L2181-S2185 WeakPolarHBondContact O-CB 3.34Å; L2181-S2185 PolarHBondContact O-N 3.18Å; L2181-S2185 PolarHBondContact O-OG 3.25Å; I2182-S2185 WeakPolarHBondContact CA-OG 3.33Å; I2182-S2185 PolarHBondContact O-N 3.34Å; I2182-S2185 PolarHBondContact O-OG 3.23Å; S2185-R2187 PolarHBondContact O-N 3.25Å; S2185-R2187 VanDerWaalsContact O-N 3.12Å; S2185-L2188 PolarHBondContact O-N 3.08Å |
| 2186 | G | 75.9 | Confident | 79.8 | Confident | 70.8 Ų | 70.8 | 67.2 Ų | 67.2 | 73% | 0.73 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | I2182 I2184 | I2182-G2186 PolarHBondContact O-N 3.2Å; I2184-G2186 VanDerWaalsContact C-N 3.29Å; I2184-G2186 PolarHBondContact O-N 3.13Å |
| 2187 | R | 74.8 | Confident | 80 | Confident | 88.8 Ų | 88.8 | 69.4 Ų | 69.4 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -23.3 | -179.8 | -63.6 | 172.9 | -174 | -161.5 | -1.2 | 112.9 | A2183 I2184 S2185 E2246 T2247 H2250 | A2183-R2187 VanDerWaalsContact O-CD 3.29Å; A2183-R2187 WeakPolarHBondContact O-CD 3.37Å; A2183-R2187 VanDerWaalsContact O-CG 3.27Å; A2183-R2187 WeakPolarHBondContact O-CG 3.33Å; A2183-R2187 PolarHBondContact O-NE 2.93Å; A2183-R2187 VanDerWaalsContact O-NE 3.1Å; A2183-R2187 PolarHBondContact O-NH1 3.36Å; I2184-R2187 WeakPolarHBondContact O-CA 3.26Å; I2184-R2187 WeakPolarHBondContact O-CB 3.36Å; I2184-R2187 PolarHBondContact O-N 3.15Å; S2185-R2187 PolarHBondContact O-N 3.25Å; S2185-R2187 VanDerWaalsContact O-N 3.12Å; R2187-E2246 IonicContact CZ-OE2 3.39Å; R2187-E2246 VanDerWaalsContact NH1-C 3.31Å; R2187-E2246 VanDerWaalsContact NH1-CB 3.34Å; R2187-E2246 PolarHBondContact NH1-O 3.35Å; R2187-E2246 IonicContact NH1-OE2 3.24Å; R2187-E2246 PolarHBondContact NH1-OE2 3.25Å; R2187-E2246 IonicContact NH2-OE2 3.49Å; R2187-T2247 WeakPolarHBondContact CD-OG1 3.24Å; R2187-H2250 VanDerWaalsContact CZ-CD2 3.46Å; R2187-H2250 PolarHBondContact NH1-CD2 3.17Å; R2187-H2250 PolarHBondContact NH1-NE2 3.46Å; R2187-H2250 PolarHBondContact NH2-CD2 2.89Å; R2187-H2250 VanDerWaalsContact NH2-CD2 3.34Å; R2187-H2250 PolarHBondContact NH2-NE2 2.93Å; R2187-H2250 VanDerWaalsContact NH2-NE2 3.15Å |
| 2188 | L | 70.7 | Confident | 80.1 | Confident | 25.2 Ų | 25.2 | 70.1 Ų | 70.1 | 13% | 0.132 | 38% | 0.375 | C | S | . | . | trans | -88.4 | 141.6 | 178.8 | -64.6 | 168 | 0 | 0 | 0 | 110.9 | I2184 S2185 D2193 M2195 W2238 | I2184-L2188 HydrophobicContact CG2-CD1 3.52Å; I2184-L2188 VanDerWaalsContact CG2-CD1 3.48Å; I2184-L2188 HydrophobicContact CG2-CG 4.33Å; I2184-L2188 WeakPolarHBondContact O-CG 3.32Å; I2184-L2188 PolarHBondContact O-N 3.12Å; I2184-L2188 VanDerWaalsContact O-N 3.1Å; S2185-L2188 PolarHBondContact O-N 3.08Å; L2188-D2193 HydrophobicContact CD1-CB 4.04Å; L2188-M2195 HydrophobicContact CD1-CE 3.63Å; L2188-M2195 VanDerWaalsContact CD1-CE 3.47Å; L2188-M2195 HydrophobicContact CD2-CE 4.26Å; L2188-M2195 HydrophobicContact CG-CE 4.37Å; L2188-W2238 HydrophobicContact CD2-CH2 3.57Å; L2188-W2238 HydrophobicContact CD2-CZ3 3.96Å | ||
| 2189 | R | 60.4 | Low | 80 | Confident | 250.2 Ų | 250.2 | 66.2 Ų | 66.2 | 94% | 0.944 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -77.5 | -34.1 | -176.7 | -164.9 | 166.4 | -69.6 | 178.5 | -0.9 | 114 | ||
| 2190 | P | 65.5 | Low | 80 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | trans | -96.2 | 135.8 | 174.3 | 1.5 | 18.8 | 0 | 0 | 0 | 112.5 | N2192 D2193 | P2190-N2192 VanDerWaalsContact C-N 3.27Å; P2190-N2192 PolarHBondContact O-N 3.11Å; P2190-D2193 PolarHBondContact O-N 2.8Å | ||
| 2191 | A | 58.8 | Low | 80.2 | Confident | 83.4 Ų | 83.4 | 63.8 Ų | 63.8 | 69% | 0.689 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D2193 R2200 | A2191-D2193 VanDerWaalsContact C-N 3.33Å; A2191-D2193 PolarHBondContact O-N 3.06Å; A2191-R2200 PolarHBondContact O-NH1 3.38Å; A2191-R2200 PolarHBondContact O-NH2 3.08Å |
| 2192 | N | 68.3 | Low | 80.3 | Confident | 147.6 Ų | 147.6 | 63 Ų | 63 | 79% | 0.789 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 33.4 | 179.9 | -70.9 | -2.8 | 0 | 0 | 0 | 112.5 | P2190 | P2190-N2192 VanDerWaalsContact C-N 3.27Å; P2190-N2192 PolarHBondContact O-N 3.11Å |
| 2193 | D | 81.1 | Confident | 80.4 | Confident | 27.2 Ų | 27.2 | 57.8 Ų | 57.8 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | trans | -63.5 | 132.2 | 174.4 | -165.9 | -71.7 | 0 | 0 | 0 | 110.4 | L2188 P2190 A2191 M2195 C2196 Q2197 | L2188-D2193 HydrophobicContact CD1-CB 4.04Å; P2190-D2193 PolarHBondContact O-N 2.8Å; A2191-D2193 VanDerWaalsContact C-N 3.33Å; A2191-D2193 PolarHBondContact O-N 3.06Å; D2193-M2195 PolarHBondContact O-N 3.03Å; D2193-M2195 VanDerWaalsContact O-N 3.15Å; D2193-M2195 VanDerWaalsContact OD1-CB 3.25Å; D2193-M2195 WeakPolarHBondContact OD1-CB 3.37Å; D2193-M2195 PolarHBondContact OD1-N 3.13Å; D2193-C2196 HydrophobicContact CB-CB 4.39Å; D2193-C2196 WeakPolarHBondContact O-CB 3.32Å; D2193-C2196 PolarHBondContact O-N 3.07Å; D2193-Q2197 PolarHBondContact O-N 3.2Å; D2193-Q2197 VanDerWaalsContact O-N 3.07Å | ||
| 2194 | P | 83 | Confident | 80.6 | Confident | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.6 | -30 | -178.7 | 24.2 | -35.5 | 0 | 0 | 0 | 112.9 | Q2197 S2198 H2232 | P2194-Q2197 WeakPolarHBondContact O-CB 3.44Å; P2194-Q2197 PolarHBondContact O-N 3.06Å; P2194-S2198 PolarHBondContact O-N 3.04Å; P2194-S2198 PolarHBondContact O-OG 3.23Å; P2194-H2232 PolarHBondContact O-NE2 3.45Å |
| 2195 | M | 84.9 | Confident | 80.8 | Confident | 2.8 Ų | 2.8 | 61.4 Ų | 61.4 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 175.9 | -173.7 | 174.8 | 71.6 | 0 | 0 | 112.2 | I2184 L2188 D2193 Q2197 S2198 L2199 H2232 W2238 T2247 M2248 L2251 | I2184-M2195 HydrophobicContact CB-CE 4.45Å; I2184-M2195 HydrophobicContact CD1-CE 4.39Å; I2184-M2195 HydrophobicContact CG1-CE 4.46Å; I2184-M2195 HydrophobicContact CG2-CE 3.29Å; I2184-M2195 HydrophobicContact CG2-SD 4.46Å; L2188-M2195 HydrophobicContact CD1-CE 3.63Å; L2188-M2195 VanDerWaalsContact CD1-CE 3.47Å; L2188-M2195 HydrophobicContact CD2-CE 4.26Å; L2188-M2195 HydrophobicContact CG-CE 4.37Å; D2193-M2195 PolarHBondContact O-N 3.03Å; D2193-M2195 VanDerWaalsContact O-N 3.15Å; D2193-M2195 VanDerWaalsContact OD1-CB 3.25Å; D2193-M2195 WeakPolarHBondContact OD1-CB 3.37Å; D2193-M2195 PolarHBondContact OD1-N 3.13Å; M2195-Q2197 VanDerWaalsContact C-N 3.29Å; M2195-S2198 PolarHBondContact O-N 3.36Å; M2195-S2198 PolarHBondContact O-OG 3.24Å; M2195-S2198 VanDerWaalsContact O-OG 3.06Å; M2195-L2199 WeakPolarHBondContact O-CG 3.44Å; M2195-L2199 PolarHBondContact O-N 3.15Å; M2195-L2199 VanDerWaalsContact O-N 3.13Å; M2195-H2232 VanDerWaalsContact CA-CD2 3.46Å; M2195-H2232 WeakPolarHBondContact CA-CD2 3.35Å; M2195-H2232 HydrophobicContact CB-CB 4.35Å; M2195-H2232 HydrophobicContact CG-CB 3.9Å; M2195-H2232 PolarHBondContact N-NE2 2.98Å; M2195-H2232 HydrophobicContact SD-CB 4.21Å; M2195-W2238 HydrophobicContact CE-CH2 4.38Å; M2195-W2238 HydrophobicContact CE-CZ2 4.38Å; M2195-T2247 HydrophobicContact CE-CG2 3.93Å; M2195-M2248 HydrophobicContact CE-CE 4.29Å; M2195-M2248 HydrophobicContact SD-CE 3.78Å; M2195-L2251 HydrophobicContact CG-CD1 3.73Å; M2195-L2251 HydrophobicContact CG-CD2 4.44Å; M2195-L2251 HydrophobicContact SD-CB 4.49Å; M2195-L2251 HydrophobicContact SD-CD1 3.77Å; M2195-L2251 HydrophobicContact SD-CD2 3.73Å; M2195-L2251 HydrophobicContact SD-CG 4.23Å |
| 2196 | C | 86.2 | Confident | 81 | Confident | 5.4 Ų | 5.4 | 59 Ų | 59 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 173.1 | -70.6 | 0 | 0 | 0 | 0 | 110.9 | L2181 D2193 R2200 | L2181-C2196 HydrophobicContact CD1-CB 3.95Å; D2193-C2196 HydrophobicContact CB-CB 4.39Å; D2193-C2196 WeakPolarHBondContact O-CB 3.32Å; D2193-C2196 PolarHBondContact O-N 3.07Å; C2196-R2200 WeakPolarHBondContact O-CG 3.35Å; C2196-R2200 PolarHBondContact O-N 3.11Å; C2196-R2200 VanDerWaalsContact O-N 3.1Å |
| 2197 | Q | 88.3 | Confident | 81.4 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 177.6 | -171.9 | 58.4 | 34.8 | 0 | 0 | 112.2 | D2193 P2194 M2195 L2199 R2200 C2201 | D2193-Q2197 PolarHBondContact O-N 3.2Å; D2193-Q2197 VanDerWaalsContact O-N 3.07Å; P2194-Q2197 WeakPolarHBondContact O-CB 3.44Å; P2194-Q2197 PolarHBondContact O-N 3.06Å; M2195-Q2197 VanDerWaalsContact C-N 3.29Å; Q2197-L2199 VanDerWaalsContact C-N 3.34Å; Q2197-L2199 PolarHBondContact O-N 3.2Å; Q2197-R2200 VanDerWaalsContact O-CB 3.3Å; Q2197-R2200 WeakPolarHBondContact O-CB 3.31Å; Q2197-R2200 PolarHBondContact O-N 3.11Å; Q2197-R2200 VanDerWaalsContact O-N 3.16Å; Q2197-R2200 VanDerWaalsContact OE1-NH1 3.15Å; Q2197-C2201 PolarHBondContact O-N 3.2Å; Q2197-C2201 PolarHBondContact O-SG 3.11Å; Q2197-C2201 VanDerWaalsContact O-SG 3.33Å |
| 2198 | S | 88.6 | Confident | 81.8 | Confident | 15.6 Ų | 15.6 | 59.4 Ų | 59.4 | 11% | 0.109 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 178.3 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | P2194 M2195 R2200 C2201 L2202 S2228 H2232 | P2194-S2198 PolarHBondContact O-N 3.04Å; P2194-S2198 PolarHBondContact O-OG 3.23Å; M2195-S2198 PolarHBondContact O-N 3.36Å; M2195-S2198 PolarHBondContact O-OG 3.24Å; M2195-S2198 VanDerWaalsContact O-OG 3.06Å; S2198-R2200 VanDerWaalsContact C-N 3.32Å; S2198-R2200 PolarHBondContact O-N 2.98Å; S2198-C2201 WeakPolarHBondContact O-CB 3.32Å; S2198-C2201 PolarHBondContact O-N 3.24Å; S2198-L2202 PolarHBondContact O-N 3.09Å; S2198-S2228 WeakPolarHBondContact CB-OG 3.36Å; S2198-S2228 PolarHBondContact OG-OG 2.98Å; S2198-H2232 VanDerWaalsContact CB-CE1 3.43Å; S2198-H2232 WeakPolarHBondContact CB-CE1 3.41Å; S2198-H2232 VanDerWaalsContact CB-NE2 3.34Å; S2198-H2232 WeakPolarHBondContact CB-NE2 3.46Å; S2198-H2232 PolarHBondContact OG-CD2 3.02Å; S2198-H2232 PolarHBondContact OG-CE1 3.16Å; S2198-H2232 VanDerWaalsContact OG-CE1 3.31Å; S2198-H2232 PolarHBondContact OG-ND1 3.09Å; S2198-H2232 PolarHBondContact OG-NE2 3.21Å |
| 2199 | L | 89.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | 171.9 | -74 | 176.4 | 0 | 0 | 0 | 112.2 | I2177 L2181 I2184 M2195 Q2197 L2202 I2203 L2251 A2254 | I2177-L2199 HydrophobicContact CG2-CD2 4.21Å; L2181-L2199 HydrophobicContact CB-CD1 4.46Å; L2181-L2199 HydrophobicContact CD1-CB 4Å; L2181-L2199 HydrophobicContact CD1-CD1 4Å; I2184-L2199 HydrophobicContact CD1-CD1 3.69Å; M2195-L2199 WeakPolarHBondContact O-CG 3.44Å; M2195-L2199 PolarHBondContact O-N 3.15Å; M2195-L2199 VanDerWaalsContact O-N 3.13Å; Q2197-L2199 VanDerWaalsContact C-N 3.34Å; Q2197-L2199 PolarHBondContact O-N 3.2Å; L2199-L2202 WeakPolarHBondContact O-CB 3.35Å; L2199-L2202 PolarHBondContact O-N 3.27Å; L2199-I2203 WeakPolarHBondContact O-CG1 3.38Å; L2199-I2203 PolarHBondContact O-N 3Å; L2199-L2251 HydrophobicContact CD1-CD1 4.08Å; L2199-L2251 HydrophobicContact CD2-CD1 4.21Å; L2199-L2251 HydrophobicContact CG-CD1 4.28Å; L2199-A2254 HydrophobicContact CD2-CB 4.25Å |
| 2200 | R | 89.4 | Confident | 82.9 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 36% | 0.362 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 172.5 | -103.3 | 141 | -166.1 | 142.4 | 2.5 | 111.5 | L2181 A2191 C2196 Q2197 S2198 L2202 I2203 D2204 | L2181-R2200 HydrophobicContact CD2-CG 3.86Å; A2191-R2200 PolarHBondContact O-NH1 3.38Å; A2191-R2200 PolarHBondContact O-NH2 3.08Å; C2196-R2200 WeakPolarHBondContact O-CG 3.35Å; C2196-R2200 PolarHBondContact O-N 3.11Å; C2196-R2200 VanDerWaalsContact O-N 3.1Å; Q2197-R2200 VanDerWaalsContact O-CB 3.3Å; Q2197-R2200 WeakPolarHBondContact O-CB 3.31Å; Q2197-R2200 PolarHBondContact O-N 3.11Å; Q2197-R2200 VanDerWaalsContact O-N 3.16Å; Q2197-R2200 VanDerWaalsContact OE1-NH1 3.15Å; S2198-R2200 VanDerWaalsContact C-N 3.32Å; S2198-R2200 PolarHBondContact O-N 2.98Å; R2200-L2202 VanDerWaalsContact C-N 3.26Å; R2200-L2202 PolarHBondContact O-N 3.23Å; R2200-I2203 CarbonylContact O-C 3.56Å; R2200-I2203 WeakPolarHBondContact O-CA 3.35Å; R2200-I2203 WeakPolarHBondContact O-CB 3.26Å; R2200-I2203 PolarHBondContact O-N 3.18Å; R2200-I2203 VanDerWaalsContact O-N 3.09Å; R2200-D2204 VanDerWaalsContact O-CG 3.31Å; R2200-D2204 PolarHBondContact O-N 3.1Å |
| 2201 | C | 90.9 | Very high | 83.4 | Confident | 52.4 Ų | 52.4 | 52.5 Ų | 52.5 | 35% | 0.354 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 174.6 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | Q2197 S2198 D2204 A2205 V2224 | Q2197-C2201 PolarHBondContact O-N 3.2Å; Q2197-C2201 PolarHBondContact O-SG 3.11Å; Q2197-C2201 VanDerWaalsContact O-SG 3.33Å; S2198-C2201 WeakPolarHBondContact O-CB 3.32Å; S2198-C2201 PolarHBondContact O-N 3.24Å; C2201-D2204 PolarHBondContact O-N 3.11Å; C2201-A2205 WeakPolarHBondContact O-CB 3.34Å; C2201-A2205 PolarHBondContact O-N 3.14Å; C2201-V2224 HydrophobicContact CB-CG1 4.43Å |
| 2202 | L | 90.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 173.4 | -178.4 | 60.6 | 0 | 0 | 0 | 111.7 | I2177 S2198 L2199 R2200 D2204 A2205 V2206 I2221 V2224 M2225 | I2177-L2202 HydrophobicContact CD1-CD2 3.98Å; I2177-L2202 HydrophobicContact CD1-CG 3.99Å; S2198-L2202 PolarHBondContact O-N 3.09Å; L2199-L2202 WeakPolarHBondContact O-CB 3.35Å; L2199-L2202 PolarHBondContact O-N 3.27Å; R2200-L2202 VanDerWaalsContact C-N 3.26Å; R2200-L2202 PolarHBondContact O-N 3.23Å; L2202-D2204 VanDerWaalsContact C-N 3.34Å; L2202-D2204 PolarHBondContact O-N 3.31Å; L2202-A2205 PolarHBondContact O-N 2.99Å; L2202-V2206 VanDerWaalsContact O-CG2 3.31Å; L2202-V2206 WeakPolarHBondContact O-CG2 3.33Å; L2202-V2206 PolarHBondContact O-N 3.16Å; L2202-I2221 HydrophobicContact CD1-CG2 4.18Å; L2202-V2224 HydrophobicContact CB-CG1 4.16Å; L2202-V2224 HydrophobicContact CD1-CB 4.43Å; L2202-V2224 HydrophobicContact CD1-CG1 4.19Å; L2202-M2225 HydrophobicContact CD1-CB 3.81Å; L2202-M2225 HydrophobicContact CD2-CB 4.44Å; L2202-M2225 HydrophobicContact CD2-CG 4.41Å |
| 2203 | I | 89.6 | Confident | 84 | Confident | 10.8 Ų | 10.8 | 54.6 Ų | 54.6 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 173.4 | -69.1 | 164.3 | 0 | 0 | 0 | 110.5 | I2177 E2178 L2181 L2199 R2200 A2205 V2206 H2207 | I2177-I2203 HydrophobicContact CB-CD1 4.34Å; I2177-I2203 HydrophobicContact CB-CG1 3.91Å; I2177-I2203 HydrophobicContact CD1-CG1 4.46Å; I2177-I2203 HydrophobicContact CG2-CD1 3.83Å; I2177-I2203 HydrophobicContact CG2-CG1 3.57Å; E2178-I2203 HydrophobicContact CG-CD1 3.84Å; L2181-I2203 HydrophobicContact CD2-CD1 3.89Å; L2199-I2203 WeakPolarHBondContact O-CG1 3.38Å; L2199-I2203 PolarHBondContact O-N 3Å; R2200-I2203 CarbonylContact O-C 3.56Å; R2200-I2203 WeakPolarHBondContact O-CA 3.35Å; R2200-I2203 WeakPolarHBondContact O-CB 3.26Å; R2200-I2203 PolarHBondContact O-N 3.18Å; R2200-I2203 VanDerWaalsContact O-N 3.09Å; I2203-A2205 VanDerWaalsContact C-N 3.34Å; I2203-A2205 PolarHBondContact O-N 3.14Å; I2203-V2206 WeakPolarHBondContact O-CB 3.47Å; I2203-V2206 PolarHBondContact O-N 3.2Å; I2203-V2206 VanDerWaalsContact O-N 3.16Å; I2203-H2207 VanDerWaalsContact CG2-CD2 3.5Å; I2203-H2207 WeakPolarHBondContact CG2-CD2 3.34Å; I2203-H2207 WeakPolarHBondContact CG2-CE1 3.3Å; I2203-H2207 VanDerWaalsContact CG2-ND1 3.27Å; I2203-H2207 WeakPolarHBondContact CG2-ND1 3.32Å; I2203-H2207 PolarHBondContact O-CD2 2.92Å; I2203-H2207 PolarHBondContact O-N 3.31Å; I2203-H2207 PolarHBondContact O-ND1 3.26Å |
| 2204 | D | 89.6 | Confident | 83.5 | Confident | 96.4 Ų | 96.4 | 57.2 Ų | 57.2 | 52% | 0.516 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 178.5 | -66.8 | -25.4 | 0 | 0 | 0 | 111.8 | R2200 C2201 L2202 V2206 H2207 L2208 | R2200-D2204 VanDerWaalsContact O-CG 3.31Å; R2200-D2204 PolarHBondContact O-N 3.1Å; C2201-D2204 PolarHBondContact O-N 3.11Å; L2202-D2204 VanDerWaalsContact C-N 3.34Å; L2202-D2204 PolarHBondContact O-N 3.31Å; D2204-V2206 VanDerWaalsContact C-N 3.34Å; D2204-V2206 PolarHBondContact O-N 3.33Å; D2204-H2207 PolarHBondContact O-N 3.08Å; D2204-L2208 WeakPolarHBondContact O-CB 3.32Å; D2204-L2208 PolarHBondContact O-N 3.1Å |
| 2205 | A | 88 | Confident | 82.9 | Confident | 9.4 Ų | 9.4 | 56.5 Ų | 56.5 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | C2201 L2202 I2203 L2208 A2209 I2221 V2224 | C2201-A2205 WeakPolarHBondContact O-CB 3.34Å; C2201-A2205 PolarHBondContact O-N 3.14Å; L2202-A2205 PolarHBondContact O-N 2.99Å; I2203-A2205 VanDerWaalsContact C-N 3.34Å; I2203-A2205 PolarHBondContact O-N 3.14Å; A2205-L2208 PolarHBondContact O-N 3.23Å; A2205-A2209 PolarHBondContact O-N 3.08Å; A2205-A2209 VanDerWaalsContact O-N 3.09Å; A2205-I2221 HydrophobicContact CB-CG1 4.35Å; A2205-V2224 HydrophobicContact CB-CG2 4.37Å |
| 2206 | V | 86.9 | Confident | 82.5 | Confident | 0.6 Ų | 0.6 | 61.3 Ų | 61.3 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F2170 I2173 I2177 L2202 I2203 D2204 A2209 K2210 I2221 | F2170-V2206 HydrophobicContact CB-CG1 4.1Å; F2170-V2206 HydrophobicContact CD1-CG1 4.13Å; I2173-V2206 HydrophobicContact CB-CG1 4.34Å; I2173-V2206 HydrophobicContact CG2-CG1 4.13Å; I2173-V2206 HydrophobicContact CG2-CG2 3.91Å; I2177-V2206 HydrophobicContact CD1-CG2 4.36Å; L2202-V2206 VanDerWaalsContact O-CG2 3.31Å; L2202-V2206 WeakPolarHBondContact O-CG2 3.33Å; L2202-V2206 PolarHBondContact O-N 3.16Å; I2203-V2206 WeakPolarHBondContact O-CB 3.47Å; I2203-V2206 PolarHBondContact O-N 3.2Å; I2203-V2206 VanDerWaalsContact O-N 3.16Å; D2204-V2206 VanDerWaalsContact C-N 3.34Å; D2204-V2206 PolarHBondContact O-N 3.33Å; V2206-A2209 WeakPolarHBondContact O-CB 3.38Å; V2206-A2209 PolarHBondContact O-N 3.19Å; V2206-K2210 WeakPolarHBondContact O-CG 3.45Å; V2206-K2210 PolarHBondContact O-N 3.07Å; V2206-I2221 HydrophobicContact CG2-CD1 4.23Å; V2206-I2221 HydrophobicContact CG2-CG1 4.27Å; V2206-I2221 HydrophobicContact CG2-CG2 4.12Å |
| 2207 | H | 85.3 | Confident | 82.2 | Confident | 72.4 Ų | 72.4 | 61.8 Ų | 61.8 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.3 | -75.9 | 129.3 | 0 | 0 | 0 | 112.7 | S2174 I2203 D2204 A2209 K2210 T2211 | S2174-H2207 PolarHBondContact OG-CE1 3.32Å; S2174-H2207 PolarHBondContact OG-NE2 2.85Å; I2203-H2207 VanDerWaalsContact CG2-CD2 3.5Å; I2203-H2207 WeakPolarHBondContact CG2-CD2 3.34Å; I2203-H2207 WeakPolarHBondContact CG2-CE1 3.3Å; I2203-H2207 VanDerWaalsContact CG2-ND1 3.27Å; I2203-H2207 WeakPolarHBondContact CG2-ND1 3.32Å; I2203-H2207 PolarHBondContact O-CD2 2.92Å; I2203-H2207 PolarHBondContact O-N 3.31Å; I2203-H2207 PolarHBondContact O-ND1 3.26Å; D2204-H2207 PolarHBondContact O-N 3.08Å; H2207-A2209 VanDerWaalsContact C-N 3.28Å; H2207-A2209 PolarHBondContact O-N 3.2Å; H2207-K2210 PolarHBondContact CD2-NZ 2.99Å; H2207-K2210 VanDerWaalsContact O-CB 3.29Å; H2207-K2210 WeakPolarHBondContact O-CB 3.38Å; H2207-K2210 PolarHBondContact O-N 3.17Å; H2207-K2210 VanDerWaalsContact O-N 3.09Å; H2207-T2211 PolarHBondContact O-N 2.84Å |
| 2208 | L | 83.1 | Confident | 81.8 | Confident | 95.8 Ų | 95.8 | 57.5 Ų | 57.5 | 50% | 0.502 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 174.8 | -173.6 | 64.9 | 0 | 0 | 0 | 111.3 | D2204 A2205 K2210 T2211 S2212 V2217 | D2204-L2208 WeakPolarHBondContact O-CB 3.32Å; D2204-L2208 PolarHBondContact O-N 3.1Å; A2205-L2208 PolarHBondContact O-N 3.23Å; L2208-K2210 VanDerWaalsContact C-N 3.26Å; L2208-K2210 PolarHBondContact O-N 3.07Å; L2208-T2211 PolarHBondContact O-N 3.12Å; L2208-T2211 PolarHBondContact O-OG1 3.21Å; L2208-T2211 VanDerWaalsContact O-OG1 3.07Å; L2208-S2212 WeakPolarHBondContact O-CB 3.35Å; L2208-S2212 PolarHBondContact O-N 3.09Å; L2208-V2217 HydrophobicContact CB-CG1 4.49Å; L2208-V2217 HydrophobicContact CD2-CG1 4.44Å; L2208-V2217 HydrophobicContact CG-CG1 4.29Å |
| 2209 | A | 77.6 | Confident | 81.6 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -28.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F2170 A2205 V2206 H2207 T2211 S2212 V2217 I2221 | F2170-A2209 HydrophobicContact CD1-CB 4.37Å; F2170-A2209 HydrophobicContact CE1-CB 4.05Å; F2170-A2209 HydrophobicContact CE2-CB 4.49Å; F2170-A2209 HydrophobicContact CZ-CB 4.12Å; A2205-A2209 PolarHBondContact O-N 3.08Å; A2205-A2209 VanDerWaalsContact O-N 3.09Å; V2206-A2209 WeakPolarHBondContact O-CB 3.38Å; V2206-A2209 PolarHBondContact O-N 3.19Å; H2207-A2209 VanDerWaalsContact C-N 3.28Å; H2207-A2209 PolarHBondContact O-N 3.2Å; A2209-T2211 VanDerWaalsContact C-N 3.28Å; A2209-T2211 PolarHBondContact O-N 3.07Å; A2209-S2212 PolarHBondContact O-N 3.11Å; A2209-V2217 VanDerWaalsContact CA-CG1 3.43Å; A2209-V2217 HydrophobicContact CB-CB 4.31Å; A2209-V2217 HydrophobicContact CB-CG1 3.58Å; A2209-I2221 HydrophobicContact CB-CD1 3.5Å; A2209-I2221 VanDerWaalsContact CB-CD1 3.47Å; A2209-I2221 HydrophobicContact CB-CG1 4.34Å |
| 2210 | K | 76.3 | Confident | 81.6 | Confident | 80.4 Ų | 80.4 | 62.3 Ų | 62.3 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.4 | -31.3 | 174.9 | -102.1 | 177.8 | 141.7 | 177.6 | 0 | 112.5 | F2170 D2171 V2206 H2207 L2208 | F2170-K2210 VanDerWaalsContact C-CE 3.41Å; F2170-K2210 HydrophobicContact CB-CD 4.1Å; F2170-K2210 HydrophobicContact CB-CG 3.57Å; F2170-K2210 HydrophobicContact CD2-CG 4.27Å; F2170-K2210 HydrophobicContact CG-CG 4.15Å; D2171-K2210 VanDerWaalsContact CG-NZ 3.28Å; D2171-K2210 WeakPolarHBondContact OD1-CE 3.36Å; D2171-K2210 IonicContact OD1-NZ 3.03Å; D2171-K2210 PolarHBondContact OD1-NZ 3.02Å; D2171-K2210 IonicContact OD2-NZ 3.38Å; D2171-K2210 PolarHBondContact OD2-NZ 3.05Å; D2171-K2210 VanDerWaalsContact OD2-NZ 3.08Å; V2206-K2210 WeakPolarHBondContact O-CG 3.45Å; V2206-K2210 PolarHBondContact O-N 3.07Å; H2207-K2210 PolarHBondContact CD2-NZ 2.99Å; H2207-K2210 VanDerWaalsContact O-CB 3.29Å; H2207-K2210 WeakPolarHBondContact O-CB 3.38Å; H2207-K2210 PolarHBondContact O-N 3.17Å; H2207-K2210 VanDerWaalsContact O-N 3.09Å; L2208-K2210 VanDerWaalsContact C-N 3.26Å; L2208-K2210 PolarHBondContact O-N 3.07Å |
| 2211 | T | 75.7 | Confident | 81.5 | Confident | 115 Ų | 115 | 57.8 Ų | 57.8 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -94 | -18.5 | -177.1 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | H2207 L2208 A2209 | H2207-T2211 PolarHBondContact O-N 2.84Å; L2208-T2211 PolarHBondContact O-N 3.12Å; L2208-T2211 PolarHBondContact O-OG1 3.21Å; L2208-T2211 VanDerWaalsContact O-OG1 3.07Å; A2209-T2211 VanDerWaalsContact C-N 3.28Å; A2209-T2211 PolarHBondContact O-N 3.07Å |
| 2212 | S | 73.3 | Confident | 81.5 | Confident | 44.4 Ų | 44.4 | 55.4 Ų | 55.4 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | trans | -96.9 | 146.4 | -177.6 | -174.1 | 0 | 0 | 0 | 0 | 112.8 | L2208 A2209 D2214 V2217 | L2208-S2212 WeakPolarHBondContact O-CB 3.35Å; L2208-S2212 PolarHBondContact O-N 3.09Å; A2209-S2212 PolarHBondContact O-N 3.11Å; S2212-D2214 PolarHBondContact OG-N 3.11Å; S2212-D2214 VanDerWaalsContact OG-N 3.16Å; S2212-D2214 PolarHBondContact OG-OD2 3.29Å; S2212-V2217 VanDerWaalsContact CB-CG2 3.46Å; S2212-V2217 VanDerWaalsContact OG-CG2 3.29Å; S2212-V2217 WeakPolarHBondContact OG-CG2 3.37Å | ||
| 2213 | R | 66.8 | Low | 81.5 | Confident | 231 Ų | 231 | 56.7 Ų | 56.7 | 87% | 0.872 | 30% | 0.296 | S | S | * | . | trans | -97.4 | -2.4 | 172.6 | -65.4 | -177 | 178.2 | -177 | -0.7 | 113 | Q2163 | Q2163-R2213 VanDerWaalsContact NE2-NH2 3.19Š| ||
| 2214 | D | 71 | Confident | 81.6 | Confident | 81.2 Ų | 81.2 | 58 Ų | 58 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | trans | -85.5 | 127.9 | -171.3 | -152.7 | -21.7 | 0 | 0 | 0 | 111.4 | S2212 N2216 V2217 | S2212-D2214 PolarHBondContact OG-N 3.11Å; S2212-D2214 VanDerWaalsContact OG-N 3.16Å; S2212-D2214 PolarHBondContact OG-OD2 3.29Å; D2214-N2216 VanDerWaalsContact CG-ND2 3.34Å; D2214-N2216 PolarHBondContact O-N 3.15Å; D2214-N2216 VanDerWaalsContact O-N 3.13Å; D2214-N2216 WeakPolarHBondContact OD1-CB 3.45Å; D2214-N2216 VanDerWaalsContact OD1-CG 3.31Å; D2214-N2216 PolarHBondContact OD1-N 3.12Å; D2214-N2216 PolarHBondContact OD1-ND2 2.91Å; D2214-N2216 PolarHBondContact OD2-ND2 3.39Å; D2214-N2216 VanDerWaalsContact OD2-ND2 3.08Å; D2214-V2217 HydrophobicContact CB-CG2 4.28Å; D2214-V2217 WeakPolarHBondContact O-CG2 3.31Å; D2214-V2217 PolarHBondContact O-N 3.35Å; D2214-V2217 VanDerWaalsContact O-N 3.09Å | ||
| 2215 | P | 68.7 | Low | 81.8 | Confident | 69.2 Ų | 69.2 | 53.6 Ų | 53.6 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.9 | 174.1 | 25.2 | -36.3 | 0 | 0 | 0 | 113.9 | V2217 A2218 N2219 F2270 | P2215-V2217 PolarHBondContact O-N 3.15Å; P2215-V2217 VanDerWaalsContact O-N 3.14Å; P2215-A2218 WeakPolarHBondContact O-CB 3.45Å; P2215-A2218 PolarHBondContact O-N 3.06Å; P2215-N2219 PolarHBondContact O-N 3.25Å; P2215-N2219 VanDerWaalsContact O-N 3.09Å; P2215-F2270 HydrophobicContact CB-CE1 3.78Å; P2215-F2270 HydrophobicContact CB-CZ 3.77Å |
| 2216 | N | 77 | Confident | 82.1 | Confident | 103.6 Ų | 103.6 | 53.1 Ų | 53.1 | 55% | 0.554 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61 | -24.5 | 175.1 | -66.3 | -43.8 | 0 | 0 | 0 | 112.7 | D2214 A2218 N2219 N2220 | D2214-N2216 VanDerWaalsContact CG-ND2 3.34Å; D2214-N2216 PolarHBondContact O-N 3.15Å; D2214-N2216 VanDerWaalsContact O-N 3.13Å; D2214-N2216 WeakPolarHBondContact OD1-CB 3.45Å; D2214-N2216 VanDerWaalsContact OD1-CG 3.31Å; D2214-N2216 PolarHBondContact OD1-N 3.12Å; D2214-N2216 PolarHBondContact OD1-ND2 2.91Å; D2214-N2216 PolarHBondContact OD2-ND2 3.39Å; D2214-N2216 VanDerWaalsContact OD2-ND2 3.08Å; N2216-A2218 VanDerWaalsContact C-N 3.31Å; N2216-A2218 PolarHBondContact O-N 2.7Å; N2216-N2219 WeakPolarHBondContact O-CB 3.39Å; N2216-N2219 PolarHBondContact O-N 2.98Å; N2216-N2219 VanDerWaalsContact O-N 3.13Å; N2216-N2220 VanDerWaalsContact O-CG 3.26Å; N2216-N2220 PolarHBondContact O-N 3.14Å; N2216-N2220 VanDerWaalsContact O-N 3.09Å; N2216-N2220 PolarHBondContact O-OD1 3.01Å |
| 2217 | V | 80.5 | Confident | 82.3 | Confident | 16.4 Ų | 16.4 | 59 Ų | 59 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.9 | -33 | 179.7 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | L2208 A2209 S2212 D2214 P2215 N2219 N2220 I2221 | L2208-V2217 HydrophobicContact CB-CG1 4.49Å; L2208-V2217 HydrophobicContact CD2-CG1 4.44Å; L2208-V2217 HydrophobicContact CG-CG1 4.29Å; A2209-V2217 VanDerWaalsContact CA-CG1 3.43Å; A2209-V2217 HydrophobicContact CB-CB 4.31Å; A2209-V2217 HydrophobicContact CB-CG1 3.58Å; S2212-V2217 VanDerWaalsContact CB-CG2 3.46Å; S2212-V2217 VanDerWaalsContact OG-CG2 3.29Å; S2212-V2217 WeakPolarHBondContact OG-CG2 3.37Å; D2214-V2217 HydrophobicContact CB-CG2 4.28Å; D2214-V2217 WeakPolarHBondContact O-CG2 3.31Å; D2214-V2217 PolarHBondContact O-N 3.35Å; D2214-V2217 VanDerWaalsContact O-N 3.09Å; P2215-V2217 PolarHBondContact O-N 3.15Å; P2215-V2217 VanDerWaalsContact O-N 3.14Å; V2217-N2219 VanDerWaalsContact C-N 3.28Å; V2217-N2219 PolarHBondContact O-N 3.04Å; V2217-N2220 WeakPolarHBondContact O-CB 3.3Å; V2217-N2220 PolarHBondContact O-N 3.07Å; V2217-N2220 VanDerWaalsContact O-N 3.15Å; V2217-I2221 WeakPolarHBondContact O-CG1 3.35Å; V2217-I2221 PolarHBondContact O-N 3.2Å; V2217-I2221 VanDerWaalsContact O-N 3.1Å |
| 2218 | A | 79.2 | Confident | 82.6 | Confident | 7.8 Ų | 7.8 | 55.8 Ų | 55.8 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P2215 N2216 N2220 I2221 I2222 M2262 F2270 W2274 | P2215-A2218 WeakPolarHBondContact O-CB 3.45Å; P2215-A2218 PolarHBondContact O-N 3.06Å; N2216-A2218 VanDerWaalsContact C-N 3.31Å; N2216-A2218 PolarHBondContact O-N 2.7Å; A2218-N2220 VanDerWaalsContact C-N 3.32Å; A2218-I2221 WeakPolarHBondContact O-CB 3.38Å; A2218-I2221 PolarHBondContact O-N 2.96Å; A2218-I2222 WeakPolarHBondContact O-CG1 3.45Å; A2218-I2222 PolarHBondContact O-N 3.16Å; A2218-I2222 VanDerWaalsContact O-N 3.15Å; A2218-M2262 HydrophobicContact CB-CE 3.9Å; A2218-F2270 HydrophobicContact CB-CD1 4.13Å; A2218-F2270 HydrophobicContact CB-CE1 3.81Å; A2218-F2270 HydrophobicContact CB-CZ 4.15Å; A2218-W2274 HydrophobicContact CB-CH2 3.79Å; A2218-W2274 HydrophobicContact CB-CZ3 4.22Å |
| 2219 | N | 84.8 | Confident | 83.2 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 174.6 | -168.1 | 1.6 | 0 | 0 | 0 | 111.4 | P2215 N2216 V2217 I2221 I2222 T2223 W2274 Q2278 | P2215-N2219 PolarHBondContact O-N 3.25Å; P2215-N2219 VanDerWaalsContact O-N 3.09Å; N2216-N2219 WeakPolarHBondContact O-CB 3.39Å; N2216-N2219 PolarHBondContact O-N 2.98Å; N2216-N2219 VanDerWaalsContact O-N 3.13Å; V2217-N2219 VanDerWaalsContact C-N 3.28Å; V2217-N2219 PolarHBondContact O-N 3.04Å; N2219-I2221 VanDerWaalsContact C-N 3.33Å; N2219-I2221 PolarHBondContact O-N 3.3Å; N2219-I2222 PolarHBondContact O-N 3.08Å; N2219-T2223 WeakPolarHBondContact O-CB 3.38Å; N2219-T2223 PolarHBondContact O-N 3.12Å; N2219-T2223 PolarHBondContact O-OG1 3.05Å; N2219-T2223 PolarHBondContact OD1-OG1 3.1Å; N2219-W2274 HydrophobicContact CB-CH2 4.32Å; N2219-W2274 HydrophobicContact CB-CZ2 4.4Å; N2219-Q2278 PolarHBondContact ND2-OE1 3.05Å; N2219-Q2278 VanDerWaalsContact ND2-OE1 3.17Å; N2219-Q2278 PolarHBondContact OD1-OE1 3.15Å |
| 2220 | N | 88.3 | Confident | 83.9 | Confident | 74.8 Ų | 74.8 | 50.8 Ų | 50.8 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 174.9 | -132.5 | 17.4 | 0 | 0 | 0 | 112.2 | N2216 V2217 A2218 I2222 T2223 V2224 | N2216-N2220 VanDerWaalsContact O-CG 3.26Å; N2216-N2220 PolarHBondContact O-N 3.14Å; N2216-N2220 VanDerWaalsContact O-N 3.09Å; N2216-N2220 PolarHBondContact O-OD1 3.01Å; V2217-N2220 WeakPolarHBondContact O-CB 3.3Å; V2217-N2220 PolarHBondContact O-N 3.07Å; V2217-N2220 VanDerWaalsContact O-N 3.15Å; A2218-N2220 VanDerWaalsContact C-N 3.32Å; N2220-I2222 VanDerWaalsContact C-N 3.35Å; N2220-I2222 PolarHBondContact O-N 3.14Å; N2220-T2223 PolarHBondContact O-N 3.18Å; N2220-V2224 WeakPolarHBondContact O-CB 3.34Å; N2220-V2224 VanDerWaalsContact O-CG2 3.3Å; N2220-V2224 WeakPolarHBondContact O-CG2 3.42Å; N2220-V2224 PolarHBondContact O-N 3.27Å |
| 2221 | I | 88.8 | Confident | 84.6 | Confident | 1.4 Ų | 1.4 | 51.2 Ų | 51.2 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -50 | 173.9 | -65.3 | 166.3 | 0 | 0 | 0 | 110.4 | F2170 L2202 A2205 V2206 A2209 V2217 A2218 N2219 T2223 V2224 M2225 T2258 | F2170-I2221 HydrophobicContact CD1-CD1 4.41Å; F2170-I2221 HydrophobicContact CE1-CD1 3.85Å; L2202-I2221 HydrophobicContact CD1-CG2 4.18Å; A2205-I2221 HydrophobicContact CB-CG1 4.35Å; V2206-I2221 HydrophobicContact CG2-CD1 4.23Å; V2206-I2221 HydrophobicContact CG2-CG1 4.27Å; V2206-I2221 HydrophobicContact CG2-CG2 4.12Å; A2209-I2221 HydrophobicContact CB-CD1 3.5Å; A2209-I2221 VanDerWaalsContact CB-CD1 3.47Å; A2209-I2221 HydrophobicContact CB-CG1 4.34Å; V2217-I2221 WeakPolarHBondContact O-CG1 3.35Å; V2217-I2221 PolarHBondContact O-N 3.2Å; V2217-I2221 VanDerWaalsContact O-N 3.1Å; A2218-I2221 WeakPolarHBondContact O-CB 3.38Å; A2218-I2221 PolarHBondContact O-N 2.96Å; N2219-I2221 VanDerWaalsContact C-N 3.33Å; N2219-I2221 PolarHBondContact O-N 3.3Å; I2221-T2223 VanDerWaalsContact C-N 3.3Å; I2221-T2223 PolarHBondContact O-N 3.12Å; I2221-V2224 PolarHBondContact O-N 3.19Å; I2221-M2225 WeakPolarHBondContact O-CB 3.25Å; I2221-M2225 PolarHBondContact O-N 3.11Å; I2221-T2258 HydrophobicContact CG2-CG2 4.26Å |
| 2222 | I | 89.6 | Confident | 85.3 | Confident | 1.8 Ų | 1.8 | 46.8 Ų | 46.8 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 179.3 | -66.8 | 172.7 | 0 | 0 | 0 | 110.3 | A2218 N2219 N2220 M2225 V2226 M2262 W2274 V2275 Q2278 V2279 | A2218-I2222 WeakPolarHBondContact O-CG1 3.45Å; A2218-I2222 PolarHBondContact O-N 3.16Å; A2218-I2222 VanDerWaalsContact O-N 3.15Å; N2219-I2222 PolarHBondContact O-N 3.08Å; N2220-I2222 VanDerWaalsContact C-N 3.35Å; N2220-I2222 PolarHBondContact O-N 3.14Å; I2222-M2225 PolarHBondContact O-N 3.2Å; I2222-V2226 HydrophobicContact CG2-CG2 4.13Å; I2222-V2226 WeakPolarHBondContact O-CB 3.35Å; I2222-V2226 VanDerWaalsContact O-CG2 3.27Å; I2222-V2226 WeakPolarHBondContact O-CG2 3.2Å; I2222-V2226 PolarHBondContact O-N 3.26Å; I2222-M2262 HydrophobicContact CD1-CE 4.42Å; I2222-M2262 HydrophobicContact CG1-CE 4.43Å; I2222-W2274 HydrophobicContact CD1-CE3 4.3Å; I2222-W2274 HydrophobicContact CD1-CH2 4.14Å; I2222-W2274 HydrophobicContact CD1-CZ3 3.52Å; I2222-W2274 VanDerWaalsContact CD1-CZ3 3.43Å; I2222-V2275 HydrophobicContact CD1-CB 4.47Å; I2222-V2275 HydrophobicContact CD1-CG1 4.1Å; I2222-V2275 HydrophobicContact CD1-CG2 4.46Å; I2222-Q2278 HydrophobicContact CD1-CB 3.83Å; I2222-Q2278 HydrophobicContact CD1-CG 4.35Å; I2222-Q2278 HydrophobicContact CG2-CB 4.16Å; I2222-V2279 HydrophobicContact CG2-CG2 3.7Å |
| 2223 | T | 91.6 | Very high | 86.2 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -48 | 180 | -63 | 0 | 0 | 0 | 0 | 112.1 | N2219 N2220 I2221 R2227 T2282 | N2219-T2223 WeakPolarHBondContact O-CB 3.38Å; N2219-T2223 PolarHBondContact O-N 3.12Å; N2219-T2223 PolarHBondContact O-OG1 3.05Å; N2219-T2223 PolarHBondContact OD1-OG1 3.1Å; N2220-T2223 PolarHBondContact O-N 3.18Å; I2221-T2223 VanDerWaalsContact C-N 3.3Å; I2221-T2223 PolarHBondContact O-N 3.12Å; T2223-R2227 WeakPolarHBondContact O-CB 3.36Å; T2223-R2227 WeakPolarHBondContact O-CG 3.07Å; T2223-R2227 PolarHBondContact O-N 3.05Å; T2223-R2227 VanDerWaalsContact O-N 3.1Å; T2223-T2282 HydrophobicContact CG2-CG2 4.22Å; T2223-T2282 PolarHBondContact OG1-OG1 3.34Å |
| 2224 | V | 91.9 | Very high | 87.3 | Confident | 38.2 Ų | 38.2 | 37.6 Ų | 37.6 | 23% | 0.232 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | C2201 L2202 A2205 N2220 I2221 S2228 | C2201-V2224 HydrophobicContact CB-CG1 4.43Å; L2202-V2224 HydrophobicContact CB-CG1 4.16Å; L2202-V2224 HydrophobicContact CD1-CB 4.43Å; L2202-V2224 HydrophobicContact CD1-CG1 4.19Å; A2205-V2224 HydrophobicContact CB-CG2 4.37Å; N2220-V2224 WeakPolarHBondContact O-CB 3.34Å; N2220-V2224 VanDerWaalsContact O-CG2 3.3Å; N2220-V2224 WeakPolarHBondContact O-CG2 3.42Å; N2220-V2224 PolarHBondContact O-N 3.27Å; I2221-V2224 PolarHBondContact O-N 3.19Å; V2224-S2228 WeakPolarHBondContact O-CB 3.44Å; V2224-S2228 PolarHBondContact O-N 3.3Å |
| 2225 | M | 93.2 | Very high | 88.1 | Confident | 2.2 Ų | 2.2 | 34.9 Ų | 34.9 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | 178.5 | -176.8 | -78.2 | -70.9 | 0 | 0 | 111.6 | L2202 I2221 I2222 R2227 S2228 F2229 H2255 T2258 L2259 F2385 | L2202-M2225 HydrophobicContact CD1-CB 3.81Å; L2202-M2225 HydrophobicContact CD2-CB 4.44Å; L2202-M2225 HydrophobicContact CD2-CG 4.41Å; I2221-M2225 WeakPolarHBondContact O-CB 3.25Å; I2221-M2225 PolarHBondContact O-N 3.11Å; I2222-M2225 PolarHBondContact O-N 3.2Å; M2225-R2227 PolarHBondContact O-N 3.28Å; M2225-S2228 PolarHBondContact O-N 3.11Å; M2225-F2229 VanDerWaalsContact O-CB 3.3Å; M2225-F2229 WeakPolarHBondContact O-CB 3.38Å; M2225-F2229 PolarHBondContact O-N 3.18Å; M2225-H2255 HydrophobicContact CG-CB 4.33Å; M2225-H2255 PolarHBondContact O-CD2 3.14Å; M2225-H2255 HydrophobicContact SD-CB 4.16Å; M2225-T2258 HydrophobicContact CG-CG2 4.43Å; M2225-L2259 HydrophobicContact CE-CB 4.11Å; M2225-L2259 HydrophobicContact CE-CD1 3.81Å; M2225-L2259 HydrophobicContact CE-CD2 4.45Å; M2225-L2259 HydrophobicContact CE-CG 4.33Å; M2225-F2385 HydrophobicContact CE-CE1 4.4Å; M2225-F2385 HydrophobicContact SD-CE1 4.2Å; M2225-F2385 HydrophobicContact SD-CZ 4.43Å |
| 2226 | V | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | -179.2 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I2222 F2229 L2230 V2279 T2282 F2385 | I2222-V2226 HydrophobicContact CG2-CG2 4.13Å; I2222-V2226 WeakPolarHBondContact O-CB 3.35Å; I2222-V2226 VanDerWaalsContact O-CG2 3.27Å; I2222-V2226 WeakPolarHBondContact O-CG2 3.2Å; I2222-V2226 PolarHBondContact O-N 3.26Å; V2226-F2229 PolarHBondContact O-N 3.05Å; V2226-L2230 HydrophobicContact CG1-CD1 3.61Å; V2226-L2230 HydrophobicContact CG1-CG 4.39Å; V2226-L2230 WeakPolarHBondContact O-CB 3.41Å; V2226-L2230 WeakPolarHBondContact O-CD1 3.37Å; V2226-L2230 VanDerWaalsContact O-CG 3.24Å; V2226-L2230 WeakPolarHBondContact O-CG 3.35Å; V2226-L2230 PolarHBondContact O-N 3.23Å; V2226-V2279 HydrophobicContact CG2-CG1 4.15Å; V2226-V2279 HydrophobicContact CG2-CG2 4.3Å; V2226-T2282 HydrophobicContact CB-CG2 3.96Å; V2226-T2282 HydrophobicContact CG1-CG2 3.93Å; V2226-T2282 HydrophobicContact CG2-CG2 4.46Å; V2226-F2385 HydrophobicContact CB-CZ 4.35Å; V2226-F2385 HydrophobicContact CG1-CE2 4.17Å; V2226-F2385 HydrophobicContact CG1-CZ 4.27Å; V2226-F2385 HydrophobicContact CG2-CZ 4.02Å |
| 2227 | R | 92.5 | Very high | 88.7 | Confident | 125 Ų | 125 | 35.4 Ų | 35.4 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.4 | -50.4 | 177.1 | -114.2 | -177.1 | -148.8 | 136.9 | 0 | 111.8 | T2223 M2225 F2229 L2230 E2231 L2286 | T2223-R2227 WeakPolarHBondContact O-CB 3.36Å; T2223-R2227 WeakPolarHBondContact O-CG 3.07Å; T2223-R2227 PolarHBondContact O-N 3.05Å; T2223-R2227 VanDerWaalsContact O-N 3.1Å; M2225-R2227 PolarHBondContact O-N 3.28Å; R2227-F2229 VanDerWaalsContact C-N 3.29Å; R2227-F2229 PolarHBondContact O-N 3.23Å; R2227-L2230 PolarHBondContact O-N 3.02Å; R2227-E2231 VanDerWaalsContact O-CB 3.23Å; R2227-E2231 WeakPolarHBondContact O-CB 3.35Å; R2227-E2231 PolarHBondContact O-N 3.03Å; R2227-L2286 HydrophobicContact CG-CD2 3.59Å |
| 2228 | S | 91.6 | Very high | 88.6 | Confident | 4.2 Ų | 4.2 | 36.3 Ų | 36.3 | 3% | 0.029 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | S2198 V2224 M2225 E2231 H2232 H2255 | S2198-S2228 WeakPolarHBondContact CB-OG 3.36Å; S2198-S2228 PolarHBondContact OG-OG 2.98Å; V2224-S2228 WeakPolarHBondContact O-CB 3.44Å; V2224-S2228 PolarHBondContact O-N 3.3Å; M2225-S2228 PolarHBondContact O-N 3.11Å; S2228-E2231 PolarHBondContact O-N 3.17Å; S2228-H2232 PolarHBondContact O-CD2 3.3Å; S2228-H2232 PolarHBondContact O-N 3.28Å; S2228-H2232 VanDerWaalsContact O-N 3.13Å; S2228-H2232 PolarHBondContact O-ND1 3.16Å; S2228-H2255 WeakPolarHBondContact CB-NE2 3.37Å; S2228-H2255 PolarHBondContact OG-NE2 3.2Å |
| 2229 | F | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -49.5 | -179.2 | -170.4 | -118.7 | 0 | 0 | 0 | 112.3 | M2225 V2226 R2227 E2231 H2232 Y2233 K2252 H2255 M2256 A2381 E2384 F2385 | M2225-F2229 VanDerWaalsContact O-CB 3.3Å; M2225-F2229 WeakPolarHBondContact O-CB 3.38Å; M2225-F2229 PolarHBondContact O-N 3.18Å; V2226-F2229 PolarHBondContact O-N 3.05Å; R2227-F2229 VanDerWaalsContact C-N 3.29Å; R2227-F2229 PolarHBondContact O-N 3.23Å; F2229-E2231 PolarHBondContact O-N 3.06Å; F2229-H2232 PolarHBondContact O-N 3.24Å; F2229-Y2233 HydrophobicContact CD2-CG 4.24Å; F2229-Y2233 HydrophobicContact CE1-CD1 4.32Å; F2229-Y2233 HydrophobicContact CE1-CG 4.43Å; F2229-Y2233 VanDerWaalsContact CE2-CB 3.44Å; F2229-Y2233 AromaticContact CE2-CD1 3.99Å; F2229-Y2233 HydrophobicContact CE2-CD1 4Å; F2229-Y2233 AromaticContact CE2-CD2 3.66Å; F2229-Y2233 HydrophobicContact CE2-CD2 3.66Å; F2229-Y2233 HydrophobicContact CE2-CE2 4.36Å; F2229-Y2233 AromaticContact CE2-CG 3.43Å; F2229-Y2233 HydrophobicContact CE2-CG 3.43Å; F2229-Y2233 VanDerWaalsContact CE2-CG 3.44Å; F2229-Y2233 AromaticContact CZ-CD1 3.64Å; F2229-Y2233 HydrophobicContact CZ-CD1 3.64Å; F2229-Y2233 HydrophobicContact CZ-CD2 4.05Å; F2229-Y2233 HydrophobicContact CZ-CE1 4.07Å; F2229-Y2233 HydrophobicContact CZ-CE2 4.47Å; F2229-Y2233 AromaticContact CZ-CG 3.6Å; F2229-Y2233 HydrophobicContact CZ-CG 3.6Å; F2229-Y2233 VanDerWaalsContact O-CB 3.24Å; F2229-Y2233 WeakPolarHBondContact O-CB 3.36Å; F2229-Y2233 PolarHBondContact O-N 3.28Å; F2229-K2252 HydrophobicContact CE2-CB 4.35Å; F2229-K2252 HydrophobicContact CE2-CG 4.45Å; F2229-K2252 HydrophobicContact CZ-CG 4.39Å; F2229-H2255 HydrophobicContact CB-CB 4.3Å; F2229-H2255 HydrophobicContact CD2-CB 3.74Å; F2229-H2255 AromaticContact CD2-CG 3.64Å; F2229-H2255 AromaticContact CD2-ND1 3.74Å; F2229-H2255 HydrophobicContact CE2-CB 4.38Å; F2229-H2255 HydrophobicContact CG-CB 4.14Å; F2229-M2256 HydrophobicContact CD1-CE 4.15Å; F2229-M2256 HydrophobicContact CE1-CE 3.83Å; F2229-M2256 HydrophobicContact CE2-CE 4.4Å; F2229-M2256 HydrophobicContact CG-CE 4.46Å; F2229-M2256 HydrophobicContact CZ-CE 3.99Å; F2229-A2381 HydrophobicContact CD1-CB 3.85Å; F2229-A2381 HydrophobicContact CE1-CB 3.78Å; F2229-A2381 VanDerWaalsContact CE1-O 3.31Å; F2229-A2381 WeakPolarHBondContact CE1-O 3.37Å; F2229-A2381 HydrophobicContact CG-CB 4.42Å; F2229-A2381 HydrophobicContact CZ-CB 4.41Å; F2229-E2384 HydrophobicContact CE1-CB 3.91Å; F2229-E2384 HydrophobicContact CE1-CG 4.36Å; F2229-E2384 HydrophobicContact CZ-CB 3.89Å; F2229-E2384 HydrophobicContact CZ-CG 4.02Å; F2229-F2385 HydrophobicContact CB-CZ 4.24Å; F2229-F2385 AromaticContact CD1-CE1 3.82Å; F2229-F2385 HydrophobicContact CD1-CE1 3.82Å; F2229-F2385 AromaticContact CD1-CE2 3.89Å; F2229-F2385 HydrophobicContact CD1-CE2 3.92Å; F2229-F2385 AromaticContact CD1-CZ 3.44Å; F2229-F2385 HydrophobicContact CD1-CZ 3.44Å; F2229-F2385 VanDerWaalsContact CD1-CZ 3.42Å; F2229-F2385 HydrophobicContact CE1-CE1 4.3Å; F2229-F2385 HydrophobicContact CE1-CE2 4.48Å; F2229-F2385 HydrophobicContact CE1-CZ 4.24Å; F2229-F2385 HydrophobicContact CG-CZ 4.25Å |
| 2230 | L | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -30.9 | 177.3 | -69.5 | 166.2 | 0 | 0 | 0 | 112.3 | V2226 R2227 L2286 V2375 N2378 A2381 F2385 | V2226-L2230 HydrophobicContact CG1-CD1 3.61Å; V2226-L2230 HydrophobicContact CG1-CG 4.39Å; V2226-L2230 WeakPolarHBondContact O-CB 3.41Å; V2226-L2230 WeakPolarHBondContact O-CD1 3.37Å; V2226-L2230 VanDerWaalsContact O-CG 3.24Å; V2226-L2230 WeakPolarHBondContact O-CG 3.35Å; V2226-L2230 PolarHBondContact O-N 3.23Å; R2227-L2230 PolarHBondContact O-N 3.02Å; L2230-L2286 HydrophobicContact CD1-CD1 3.37Å; L2230-L2286 VanDerWaalsContact CD1-CD1 3.45Å; L2230-V2375 VanDerWaalsContact C-CG1 3.47Å; L2230-V2375 HydrophobicContact CB-CG1 3.49Å; L2230-V2375 VanDerWaalsContact CB-CG1 3.47Å; L2230-N2378 HydrophobicContact CD2-CB 4.4Å; L2230-N2378 WeakPolarHBondContact O-CB 3.32Å; L2230-N2378 PolarHBondContact O-ND2 3.02Å; L2230-A2381 HydrophobicContact CD2-CB 3.83Å; L2230-A2381 HydrophobicContact CG-CB 4.49Å; L2230-F2385 HydrophobicContact CD1-CE2 4.45Å; L2230-F2385 HydrophobicContact CD2-CE2 4.1Å; L2230-F2385 HydrophobicContact CG-CE2 4.12Å |
| 2231 | E | 91.3 | Very high | 87.5 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.4 | -39.7 | -179.1 | -175.1 | 170.9 | -165.3 | 0 | 0 | 112.6 | R2227 S2228 F2229 R2234 V2375 | R2227-E2231 VanDerWaalsContact O-CB 3.23Å; R2227-E2231 WeakPolarHBondContact O-CB 3.35Å; R2227-E2231 PolarHBondContact O-N 3.03Å; S2228-E2231 PolarHBondContact O-N 3.17Å; F2229-E2231 PolarHBondContact O-N 3.06Å; E2231-R2234 PolarHBondContact O-NH1 3.07Å; E2231-V2375 HydrophobicContact CB-CG1 3.94Å; E2231-V2375 HydrophobicContact CB-CG2 4.25Å; E2231-V2375 HydrophobicContact CG-CG1 4.01Å; E2231-V2375 HydrophobicContact CG-CG2 4.21Å |
| 2232 | H | 89.7 | Confident | 86.8 | Confident | 22.8 Ų | 22.8 | 53.4 Ų | 53.4 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -109.7 | -26.4 | -168.4 | -60.1 | 84.8 | 0 | 0 | 0 | 114.9 | P2194 M2195 S2198 S2228 F2229 R2234 L2251 | P2194-H2232 PolarHBondContact O-NE2 3.45Å; M2195-H2232 VanDerWaalsContact CA-CD2 3.46Å; M2195-H2232 WeakPolarHBondContact CA-CD2 3.35Å; M2195-H2232 HydrophobicContact CB-CB 4.35Å; M2195-H2232 HydrophobicContact CG-CB 3.9Å; M2195-H2232 PolarHBondContact N-NE2 2.98Å; M2195-H2232 HydrophobicContact SD-CB 4.21Å; S2198-H2232 VanDerWaalsContact CB-CE1 3.43Å; S2198-H2232 WeakPolarHBondContact CB-CE1 3.41Å; S2198-H2232 VanDerWaalsContact CB-NE2 3.34Å; S2198-H2232 WeakPolarHBondContact CB-NE2 3.46Å; S2198-H2232 PolarHBondContact OG-CD2 3.02Å; S2198-H2232 PolarHBondContact OG-CE1 3.16Å; S2198-H2232 VanDerWaalsContact OG-CE1 3.31Å; S2198-H2232 PolarHBondContact OG-ND1 3.09Å; S2198-H2232 PolarHBondContact OG-NE2 3.21Å; S2228-H2232 PolarHBondContact O-CD2 3.3Å; S2228-H2232 PolarHBondContact O-N 3.28Å; S2228-H2232 VanDerWaalsContact O-N 3.13Å; S2228-H2232 PolarHBondContact O-ND1 3.16Å; F2229-H2232 PolarHBondContact O-N 3.24Å; H2232-R2234 PolarHBondContact O-N 3.25Å; H2232-R2234 VanDerWaalsContact O-N 3.11Å; H2232-L2251 HydrophobicContact CB-CD2 3.84Å |
| 2233 | Y | 92.6 | Very high | 86 | Confident | 13.8 Ų | 13.8 | 61.6 Ų | 61.6 | 5% | 0.054 | 29% | 0.29 | C | S | . | . | trans | -78.9 | 99.9 | -177.3 | -174.5 | -99.7 | 0 | 0 | 0 | 111.3 | F2229 P2235 M2248 L2251 K2252 N2378 A2381 E2384 | F2229-Y2233 HydrophobicContact CD2-CG 4.24Å; F2229-Y2233 HydrophobicContact CE1-CD1 4.32Å; F2229-Y2233 HydrophobicContact CE1-CG 4.43Å; F2229-Y2233 VanDerWaalsContact CE2-CB 3.44Å; F2229-Y2233 AromaticContact CE2-CD1 3.99Å; F2229-Y2233 HydrophobicContact CE2-CD1 4Å; F2229-Y2233 AromaticContact CE2-CD2 3.66Å; F2229-Y2233 HydrophobicContact CE2-CD2 3.66Å; F2229-Y2233 HydrophobicContact CE2-CE2 4.36Å; F2229-Y2233 AromaticContact CE2-CG 3.43Å; F2229-Y2233 HydrophobicContact CE2-CG 3.43Å; F2229-Y2233 VanDerWaalsContact CE2-CG 3.44Å; F2229-Y2233 AromaticContact CZ-CD1 3.64Å; F2229-Y2233 HydrophobicContact CZ-CD1 3.64Å; F2229-Y2233 HydrophobicContact CZ-CD2 4.05Å; F2229-Y2233 HydrophobicContact CZ-CE1 4.07Å; F2229-Y2233 HydrophobicContact CZ-CE2 4.47Å; F2229-Y2233 AromaticContact CZ-CG 3.6Å; F2229-Y2233 HydrophobicContact CZ-CG 3.6Å; F2229-Y2233 VanDerWaalsContact O-CB 3.24Å; F2229-Y2233 WeakPolarHBondContact O-CB 3.36Å; F2229-Y2233 PolarHBondContact O-N 3.28Å; Y2233-P2235 HydrophobicContact CD1-CG 4.18Å; Y2233-P2235 HydrophobicContact CD2-CG 4.41Å; Y2233-P2235 HydrophobicContact CE1-CG 3.56Å; Y2233-P2235 HydrophobicContact CE2-CG 3.85Å; Y2233-P2235 VanDerWaalsContact CZ-CG 3.41Å; Y2233-P2235 WeakPolarHBondContact OH-CG 3.45Å; Y2233-M2248 HydrophobicContact CD2-CB 4.36Å; Y2233-M2248 HydrophobicContact CD2-SD 4.41Å; Y2233-M2248 HydrophobicContact CE2-CB 4.12Å; Y2233-M2248 WeakPolarHBondContact CE2-O 3.35Å; Y2233-L2251 HydrophobicContact CD2-CD2 4.3Å; Y2233-K2252 HydrophobicContact CD2-CB 4.24Å; Y2233-K2252 HydrophobicContact CE2-CB 3.71Å; Y2233-K2252 HydrophobicContact CE2-CD 4.36Å; Y2233-K2252 HydrophobicContact CE2-CG 4.32Å; Y2233-N2378 PolarHBondContact O-ND2 3.14Å; Y2233-A2381 HydrophobicContact CD1-CB 3.95Å; Y2233-A2381 HydrophobicContact CG-CB 4.44Å; Y2233-E2384 HydrophobicContact CD1-CG 4.4Å; Y2233-E2384 HydrophobicContact CE1-CG 3.55Å; Y2233-E2384 VanDerWaalsContact CE1-CG 3.49Å; Y2233-E2384 PolarHBondContact OH-OE1 3.44Å; Y2233-E2384 VanDerWaalsContact OH-OE1 3.05Å | ||
| 2234 | R | 89.9 | Confident | 85.6 | Confident | 68.8 Ų | 68.8 | 60.3 Ų | 60.3 | 26% | 0.26 | 28% | 0.283 | S | S | . | . | trans | -138.5 | 76.3 | 175.5 | -69.1 | -166 | -178.7 | 80.8 | 5.8 | 112.2 | E2231 H2232 S2236 F2237 W2238 N2378 E2380 | E2231-R2234 PolarHBondContact O-NH1 3.07Å; H2232-R2234 PolarHBondContact O-N 3.25Å; H2232-R2234 VanDerWaalsContact O-N 3.11Å; R2234-S2236 PolarHBondContact O-N 3.3Å; R2234-S2236 VanDerWaalsContact O-N 3.12Å; R2234-F2237 HydrophobicContact CB-CB 4.1Å; R2234-F2237 PolarHBondContact O-N 3.16Å; R2234-W2238 VanDerWaalsContact O-CD1 3.31Å; R2234-W2238 PolarHBondContact O-N 3.31Å; R2234-N2378 WeakPolarHBondContact CG-ND2 3.45Å; R2234-E2380 VanDerWaalsContact CA-OE2 3.26Å; R2234-E2380 WeakPolarHBondContact CA-OE2 3.37Å | ||
| 2235 | P | 86.7 | Confident | 85.2 | Confident | 25.2 Ų | 25.2 | 62.8 Ų | 62.8 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -51.9 | -35.3 | -178.2 | -27.1 | 35.2 | 0 | 0 | 0 | 114.1 | Y2233 F2237 W2238 R2239 L2245 | Y2233-P2235 HydrophobicContact CD1-CG 4.18Å; Y2233-P2235 HydrophobicContact CD2-CG 4.41Å; Y2233-P2235 HydrophobicContact CE1-CG 3.56Å; Y2233-P2235 HydrophobicContact CE2-CG 3.85Å; Y2233-P2235 VanDerWaalsContact CZ-CG 3.41Å; Y2233-P2235 WeakPolarHBondContact OH-CG 3.45Å; P2235-F2237 VanDerWaalsContact C-N 3.31Å; P2235-F2237 PolarHBondContact O-N 3.29Å; P2235-W2238 PolarHBondContact O-N 3.16Å; P2235-R2239 PolarHBondContact O-N 3.16Å; P2235-R2239 VanDerWaalsContact O-N 3.12Å; P2235-L2245 HydrophobicContact CB-CD2 4.32Å |
| 2236 | S | 79.9 | Confident | 84.8 | Confident | 46.4 Ų | 46.4 | 67.1 Ų | 67.1 | 32% | 0.324 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 176.3 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | R2234 W2238 R2239 E2380 R2444 | R2234-S2236 PolarHBondContact O-N 3.3Å; R2234-S2236 VanDerWaalsContact O-N 3.12Å; S2236-W2238 VanDerWaalsContact C-N 3.35Å; S2236-R2239 WeakPolarHBondContact O-CB 3.42Å; S2236-E2380 WeakPolarHBondContact CB-OE1 3.39Å; S2236-E2380 PolarHBondContact N-OE1 3.06Å; S2236-E2380 PolarHBondContact N-OE2 2.71Å; S2236-E2380 PolarHBondContact OG-OE1 3.08Å; S2236-E2380 VanDerWaalsContact OG-OE1 3.09Å; S2236-E2380 PolarHBondContact OG-OE2 3.06Å; S2236-R2444 VanDerWaalsContact CB-NH1 3.28Å; S2236-R2444 PolarHBondContact OG-NH1 2.86Å |
| 2237 | F | 78.3 | Confident | 84.4 | Confident | 137 Ų | 137 | 67.3 Ų | 67.3 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -72.9 | -30.9 | 178.9 | -177.4 | -99.4 | 0 | 0 | 0 | 112.6 | R2234 P2235 | R2234-F2237 HydrophobicContact CB-CB 4.1Å; R2234-F2237 PolarHBondContact O-N 3.16Å; P2235-F2237 VanDerWaalsContact C-N 3.31Å; P2235-F2237 PolarHBondContact O-N 3.29Å |
| 2238 | W | 79.6 | Confident | 84.2 | Confident | 34.4 Ų | 34.4 | 61.4 Ų | 61.4 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -91.2 | 0.5 | -177.9 | -71.6 | 87.1 | 0 | 0 | 0 | 113.8 | L2188 M2195 R2234 P2235 S2236 D2240 Q2241 G2244 M2248 | L2188-W2238 HydrophobicContact CD2-CH2 3.57Å; L2188-W2238 HydrophobicContact CD2-CZ3 3.96Å; M2195-W2238 HydrophobicContact CE-CH2 4.38Å; M2195-W2238 HydrophobicContact CE-CZ2 4.38Å; R2234-W2238 VanDerWaalsContact O-CD1 3.31Å; R2234-W2238 PolarHBondContact O-N 3.31Å; P2235-W2238 PolarHBondContact O-N 3.16Å; S2236-W2238 VanDerWaalsContact C-N 3.35Å; W2238-D2240 VanDerWaalsContact C-N 3.35Å; W2238-D2240 PolarHBondContact O-N 3.29Å; W2238-Q2241 HydrophobicContact CE3-CB 4.25Å; W2238-Q2241 HydrophobicContact CE3-CG 4.37Å; W2238-Q2241 PolarHBondContact O-N 3.25Å; W2238-G2244 WeakPolarHBondContact O-CA 3.37Å; W2238-M2248 HydrophobicContact CB-CG 3.76Å; W2238-M2248 HydrophobicContact CB-SD 4.44Å; W2238-M2248 VanDerWaalsContact CD1-SD 3.52Å; W2238-M2248 HydrophobicContact CD2-CE 3.8Å; W2238-M2248 HydrophobicContact CD2-CG 4.38Å; W2238-M2248 HydrophobicContact CD2-SD 4.41Å; W2238-M2248 VanDerWaalsContact CE2-CE 3.44Å; W2238-M2248 HydrophobicContact CE3-CE 4.42Å; W2238-M2248 HydrophobicContact CG-CE 3.92Å; W2238-M2248 HydrophobicContact CG-CG 3.8Å; W2238-M2248 HydrophobicContact CG-SD 3.89Å; W2238-M2248 HydrophobicContact CZ2-CE 4.18Å |
| 2239 | R | 76.1 | Confident | 84.1 | Confident | 134 Ų | 134 | 65.5 Ų | 65.5 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -43.6 | -176.7 | -173.7 | -176.3 | -65.9 | 170.2 | 0 | 112.9 | P2235 S2236 Q2241 L2245 S2491 | P2235-R2239 PolarHBondContact O-N 3.16Å; P2235-R2239 VanDerWaalsContact O-N 3.12Å; S2236-R2239 WeakPolarHBondContact O-CB 3.42Å; R2239-Q2241 VanDerWaalsContact C-N 3.32Å; R2239-L2245 HydrophobicContact CB-CD2 4.44Å; R2239-L2245 HydrophobicContact CG-CD1 4.49Å; R2239-S2491 PolarHBondContact NH1-O 2.86Å |
| 2240 | D | 74.9 | Confident | 83.8 | Confident | 148.6 Ų | 148.6 | 67.4 Ų | 67.4 | 80% | 0.795 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.9 | -176 | -58.6 | -37.2 | 0 | 0 | 0 | 112.7 | W2238 | W2238-D2240 VanDerWaalsContact C-N 3.35Å; W2238-D2240 PolarHBondContact O-N 3.29Å |
| 2241 | Q | 76.6 | Confident | 83.7 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -82.8 | 138.3 | 178.3 | -64.1 | -163.5 | 14.3 | 0 | 0 | 111.2 | W2238 R2239 R2243 G2244 | W2238-Q2241 HydrophobicContact CE3-CB 4.25Å; W2238-Q2241 HydrophobicContact CE3-CG 4.37Å; W2238-Q2241 PolarHBondContact O-N 3.25Å; R2239-Q2241 VanDerWaalsContact C-N 3.32Å; Q2241-R2243 PolarHBondContact O-N 3.07Å; Q2241-R2243 VanDerWaalsContact O-N 3.14Å; Q2241-G2244 PolarHBondContact O-N 3.18Å |
| 2242 | P | 74.2 | Confident | 83.8 | Confident | 126.4 Ų | 126.4 | 65.1 Ų | 65.1 | 82% | 0.821 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 121.1 | 178.4 | 24.6 | -32.6 | 0 | 0 | 0 | 110.4 | G2244 | P2242-G2244 PolarHBondContact O-N 3.22Š|
| 2243 | R | 74.2 | Confident | 83.8 | Confident | 172.8 Ų | 172.8 | 66.8 Ų | 66.8 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 20.6 | -173.6 | -56.3 | -177.5 | 173.8 | 170.1 | -3 | 114.8 | Q2241 E2246 T2247 | Q2241-R2243 PolarHBondContact O-N 3.07Å; Q2241-R2243 VanDerWaalsContact O-N 3.14Å; R2243-E2246 PolarHBondContact O-N 3.16Å; R2243-T2247 PolarHBondContact O-N 3.23Å; R2243-T2247 VanDerWaalsContact O-N 3.12Å; R2243-T2247 PolarHBondContact O-OG1 3.22Å; R2243-T2247 VanDerWaalsContact O-OG1 3.1Å |
| 2244 | G | 82 | Confident | 83.7 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | W2238 Q2241 P2242 E2246 T2247 M2248 | W2238-G2244 WeakPolarHBondContact O-CA 3.37Å; Q2241-G2244 PolarHBondContact O-N 3.18Å; P2242-G2244 PolarHBondContact O-N 3.22Å; G2244-E2246 VanDerWaalsContact C-N 3.34Å; G2244-E2246 PolarHBondContact O-N 3.23Å; G2244-T2247 WeakPolarHBondContact O-CA 3.34Å; G2244-T2247 WeakPolarHBondContact O-CB 3.31Å; G2244-T2247 PolarHBondContact O-N 3.07Å; G2244-T2247 VanDerWaalsContact O-N 3.12Å; G2244-M2248 WeakPolarHBondContact O-CG 3.29Å; G2244-M2248 PolarHBondContact O-N 3.11Å |
| 2245 | L | 84.7 | Confident | 83.8 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 177.7 | -65.7 | 176.4 | 0 | 0 | 0 | 112.9 | P2235 R2239 T2247 M2248 E2249 | P2235-L2245 HydrophobicContact CB-CD2 4.32Å; R2239-L2245 HydrophobicContact CB-CD2 4.44Å; R2239-L2245 HydrophobicContact CG-CD1 4.49Å; L2245-T2247 VanDerWaalsContact C-N 3.29Å; L2245-T2247 PolarHBondContact O-N 3.18Å; L2245-M2248 CarbonylContact O-C 3.43Å; L2245-M2248 WeakPolarHBondContact O-CB 3.34Å; L2245-M2248 PolarHBondContact O-N 3.39Å; L2245-M2248 VanDerWaalsContact O-N 3.1Å; L2245-E2249 WeakPolarHBondContact O-CG 3.34Å; L2245-E2249 PolarHBondContact O-N 3.15Å |
| 2246 | E | 83.2 | Confident | 84.1 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 175.2 | -62.3 | 174.7 | -169.1 | 0 | 0 | 111.9 | R2187 R2243 G2244 M2248 E2249 H2250 | R2187-E2246 IonicContact CZ-OE2 3.39Å; R2187-E2246 VanDerWaalsContact NH1-C 3.31Å; R2187-E2246 VanDerWaalsContact NH1-CB 3.34Å; R2187-E2246 PolarHBondContact NH1-O 3.35Å; R2187-E2246 IonicContact NH1-OE2 3.24Å; R2187-E2246 PolarHBondContact NH1-OE2 3.25Å; R2187-E2246 IonicContact NH2-OE2 3.49Å; R2243-E2246 PolarHBondContact O-N 3.16Å; G2244-E2246 VanDerWaalsContact C-N 3.34Å; G2244-E2246 PolarHBondContact O-N 3.23Å; E2246-M2248 VanDerWaalsContact C-N 3.33Å; E2246-E2249 PolarHBondContact O-N 2.99Å; E2246-H2250 PolarHBondContact O-CD2 2.97Å; E2246-H2250 VanDerWaalsContact O-CD2 3.23Å; E2246-H2250 PolarHBondContact O-N 3.26Å; E2246-H2250 VanDerWaalsContact O-N 3.1Å |
| 2247 | T | 85.7 | Confident | 84.3 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.4 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | I2184 R2187 M2195 R2243 G2244 L2245 E2249 H2250 L2251 | I2184-T2247 HydrophobicContact CB-CG2 4.44Å; I2184-T2247 HydrophobicContact CG1-CG2 4.14Å; I2184-T2247 HydrophobicContact CG2-CG2 4.07Å; R2187-T2247 WeakPolarHBondContact CD-OG1 3.24Å; M2195-T2247 HydrophobicContact CE-CG2 3.93Å; R2243-T2247 PolarHBondContact O-N 3.23Å; R2243-T2247 VanDerWaalsContact O-N 3.12Å; R2243-T2247 PolarHBondContact O-OG1 3.22Å; R2243-T2247 VanDerWaalsContact O-OG1 3.1Å; G2244-T2247 WeakPolarHBondContact O-CA 3.34Å; G2244-T2247 WeakPolarHBondContact O-CB 3.31Å; G2244-T2247 PolarHBondContact O-N 3.07Å; G2244-T2247 VanDerWaalsContact O-N 3.12Å; L2245-T2247 VanDerWaalsContact C-N 3.29Å; L2245-T2247 PolarHBondContact O-N 3.18Å; T2247-E2249 VanDerWaalsContact C-N 3.32Å; T2247-E2249 PolarHBondContact O-N 3.17Å; T2247-H2250 PolarHBondContact O-N 3.08Å; T2247-L2251 PolarHBondContact O-N 3.02Å |
| 2248 | M | 89.2 | Confident | 84.7 | Confident | 2.6 Ų | 2.6 | 55.7 Ų | 55.7 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -35 | 173.7 | -67.2 | -60.9 | 98.3 | 0 | 0 | 112.4 | M2195 Y2233 W2238 G2244 L2245 E2246 L2251 K2252 | M2195-M2248 HydrophobicContact CE-CE 4.29Å; M2195-M2248 HydrophobicContact SD-CE 3.78Å; Y2233-M2248 HydrophobicContact CD2-CB 4.36Å; Y2233-M2248 HydrophobicContact CD2-SD 4.41Å; Y2233-M2248 HydrophobicContact CE2-CB 4.12Å; Y2233-M2248 WeakPolarHBondContact CE2-O 3.35Å; W2238-M2248 HydrophobicContact CB-CG 3.76Å; W2238-M2248 HydrophobicContact CB-SD 4.44Å; W2238-M2248 VanDerWaalsContact CD1-SD 3.52Å; W2238-M2248 HydrophobicContact CD2-CE 3.8Å; W2238-M2248 HydrophobicContact CD2-CG 4.38Å; W2238-M2248 HydrophobicContact CD2-SD 4.41Å; W2238-M2248 VanDerWaalsContact CE2-CE 3.44Å; W2238-M2248 HydrophobicContact CE3-CE 4.42Å; W2238-M2248 HydrophobicContact CG-CE 3.92Å; W2238-M2248 HydrophobicContact CG-CG 3.8Å; W2238-M2248 HydrophobicContact CG-SD 3.89Å; W2238-M2248 HydrophobicContact CZ2-CE 4.18Å; G2244-M2248 WeakPolarHBondContact O-CG 3.29Å; G2244-M2248 PolarHBondContact O-N 3.11Å; L2245-M2248 CarbonylContact O-C 3.43Å; L2245-M2248 WeakPolarHBondContact O-CB 3.34Å; L2245-M2248 PolarHBondContact O-N 3.39Å; L2245-M2248 VanDerWaalsContact O-N 3.1Å; E2246-M2248 VanDerWaalsContact C-N 3.33Å; M2248-L2251 HydrophobicContact CE-CD2 4.14Å; M2248-L2251 WeakPolarHBondContact O-CB 3.44Å; M2248-L2251 PolarHBondContact O-N 3.21Å; M2248-L2251 HydrophobicContact SD-CD2 4.19Å; M2248-K2252 WeakPolarHBondContact O-CB 3.35Å; M2248-K2252 PolarHBondContact O-N 3.43Å |
| 2249 | E | 89.2 | Confident | 85 | Confident | 88.8 Ų | 88.8 | 54.1 Ų | 54.1 | 42% | 0.415 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.4 | -154.9 | 78.7 | -174.9 | 0 | 0 | 111.4 | L2245 E2246 T2247 L2251 K2252 E2253 | L2245-E2249 WeakPolarHBondContact O-CG 3.34Å; L2245-E2249 PolarHBondContact O-N 3.15Å; E2246-E2249 PolarHBondContact O-N 2.99Å; T2247-E2249 VanDerWaalsContact C-N 3.32Å; T2247-E2249 PolarHBondContact O-N 3.17Å; E2249-L2251 VanDerWaalsContact C-N 3.3Å; E2249-L2251 PolarHBondContact O-N 3.2Å; E2249-K2252 WeakPolarHBondContact O-CB 3.48Å; E2249-K2252 PolarHBondContact O-N 3.32Å; E2249-K2252 VanDerWaalsContact OE1-CE 3.28Å; E2249-K2252 WeakPolarHBondContact OE1-CE 3.36Å; E2249-K2252 IonicContact OE1-NZ 3.21Å; E2249-K2252 PolarHBondContact OE1-NZ 3.21Å; E2249-K2252 VanDerWaalsContact OE2-CE 3.31Å; E2249-K2252 WeakPolarHBondContact OE2-CE 3.28Å; E2249-K2252 IonicContact OE2-NZ 2.88Å; E2249-K2252 PolarHBondContact OE2-NZ 3.33Å; E2249-E2253 WeakPolarHBondContact O-CB 3.35Å; E2249-E2253 WeakPolarHBondContact O-CG 3.33Å; E2249-E2253 PolarHBondContact O-N 3.36Å |
| 2250 | H | 88.8 | Confident | 85.4 | Confident | 40.4 Ų | 40.4 | 55.4 Ų | 55.4 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 173.2 | -74.1 | -53 | 0 | 0 | 0 | 112.7 | H2180 I2184 R2187 E2246 T2247 E2253 A2254 | H2180-H2250 AromaticContact CE1-ND1 3.9Å; H2180-H2250 AromaticContact ND1-CG 3.96Å; H2180-H2250 AromaticContact ND1-ND1 3.45Å; H2180-H2250 PolarHBondContact ND1-ND1 3.03Å; H2180-H2250 PolarHBondContact ND1-O 3.14Å; I2184-H2250 HydrophobicContact CD1-CB 4.12Å; I2184-H2250 HydrophobicContact CG1-CB 3.89Å; R2187-H2250 VanDerWaalsContact CZ-CD2 3.46Å; R2187-H2250 PolarHBondContact NH1-CD2 3.17Å; R2187-H2250 PolarHBondContact NH1-NE2 3.46Å; R2187-H2250 PolarHBondContact NH2-CD2 2.89Å; R2187-H2250 VanDerWaalsContact NH2-CD2 3.34Å; R2187-H2250 PolarHBondContact NH2-NE2 2.93Å; R2187-H2250 VanDerWaalsContact NH2-NE2 3.15Å; E2246-H2250 PolarHBondContact O-CD2 2.97Å; E2246-H2250 VanDerWaalsContact O-CD2 3.23Å; E2246-H2250 PolarHBondContact O-N 3.26Å; E2246-H2250 VanDerWaalsContact O-N 3.1Å; T2247-H2250 PolarHBondContact O-N 3.08Å; H2250-E2253 IonicContact ND1-OE2 3.69Å; H2250-E2253 PolarHBondContact ND1-OE2 3.36Å; H2250-E2253 PolarHBondContact O-N 3.14Å; H2250-A2254 WeakPolarHBondContact O-CB 3.31Å; H2250-A2254 PolarHBondContact O-N 3.26Å |
| 2251 | L | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.3 | -174.3 | 72.8 | 0 | 0 | 0 | 111 | I2184 M2195 L2199 H2232 Y2233 T2247 M2248 E2249 A2254 H2255 | I2184-L2251 HydrophobicContact CD1-CB 4.25Å; I2184-L2251 HydrophobicContact CD1-CD1 4.31Å; M2195-L2251 HydrophobicContact CG-CD1 3.73Å; M2195-L2251 HydrophobicContact CG-CD2 4.44Å; M2195-L2251 HydrophobicContact SD-CB 4.49Å; M2195-L2251 HydrophobicContact SD-CD1 3.77Å; M2195-L2251 HydrophobicContact SD-CD2 3.73Å; M2195-L2251 HydrophobicContact SD-CG 4.23Å; L2199-L2251 HydrophobicContact CD1-CD1 4.08Å; L2199-L2251 HydrophobicContact CD2-CD1 4.21Å; L2199-L2251 HydrophobicContact CG-CD1 4.28Å; H2232-L2251 HydrophobicContact CB-CD2 3.84Å; Y2233-L2251 HydrophobicContact CD2-CD2 4.3Å; T2247-L2251 PolarHBondContact O-N 3.02Å; M2248-L2251 HydrophobicContact CE-CD2 4.14Å; M2248-L2251 WeakPolarHBondContact O-CB 3.44Å; M2248-L2251 PolarHBondContact O-N 3.21Å; M2248-L2251 HydrophobicContact SD-CD2 4.19Å; E2249-L2251 VanDerWaalsContact C-N 3.3Å; E2249-L2251 PolarHBondContact O-N 3.2Å; L2251-A2254 PolarHBondContact O-N 3.26Å; L2251-H2255 VanDerWaalsContact CD1-CE1 3.49Å; L2251-H2255 WeakPolarHBondContact CD1-CE1 3.36Å; L2251-H2255 PolarHBondContact O-N 2.99Å; L2251-H2255 PolarHBondContact O-ND1 3.11Å |
| 2252 | K | 92.8 | Very high | 85.7 | Confident | 40.4 Ų | 40.4 | 46.5 Ų | 46.5 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -51.9 | 175.2 | -176.3 | -173.5 | 88.9 | -170.7 | 0 | 110.8 | F2229 Y2233 M2248 E2249 A2254 H2255 M2256 E2384 | F2229-K2252 HydrophobicContact CE2-CB 4.35Å; F2229-K2252 HydrophobicContact CE2-CG 4.45Å; F2229-K2252 HydrophobicContact CZ-CG 4.39Å; Y2233-K2252 HydrophobicContact CD2-CB 4.24Å; Y2233-K2252 HydrophobicContact CE2-CB 3.71Å; Y2233-K2252 HydrophobicContact CE2-CD 4.36Å; Y2233-K2252 HydrophobicContact CE2-CG 4.32Å; M2248-K2252 WeakPolarHBondContact O-CB 3.35Å; M2248-K2252 PolarHBondContact O-N 3.43Å; E2249-K2252 WeakPolarHBondContact O-CB 3.48Å; E2249-K2252 PolarHBondContact O-N 3.32Å; E2249-K2252 VanDerWaalsContact OE1-CE 3.28Å; E2249-K2252 WeakPolarHBondContact OE1-CE 3.36Å; E2249-K2252 IonicContact OE1-NZ 3.21Å; E2249-K2252 PolarHBondContact OE1-NZ 3.21Å; E2249-K2252 VanDerWaalsContact OE2-CE 3.31Å; E2249-K2252 WeakPolarHBondContact OE2-CE 3.28Å; E2249-K2252 IonicContact OE2-NZ 2.88Å; E2249-K2252 PolarHBondContact OE2-NZ 3.33Å; K2252-A2254 VanDerWaalsContact C-N 3.31Å; K2252-A2254 PolarHBondContact O-N 3.11Å; K2252-H2255 PolarHBondContact O-N 3.01Å; K2252-H2255 VanDerWaalsContact O-N 3.16Å; K2252-M2256 HydrophobicContact CG-CG 3.81Å; K2252-M2256 VanDerWaalsContact O-CB 3.29Å; K2252-M2256 WeakPolarHBondContact O-CB 3.32Å; K2252-M2256 VanDerWaalsContact O-CG 3.25Å; K2252-M2256 WeakPolarHBondContact O-CG 3.33Å; K2252-M2256 PolarHBondContact O-N 3.08Å; K2252-E2384 HydrophobicContact CD-CG 4.19Å; K2252-E2384 WeakPolarHBondContact CD-OE2 3.28Å; K2252-E2384 WeakPolarHBondContact CE-OE2 3.1Å; K2252-E2384 HydrophobicContact CG-CG 4.44Å; K2252-E2384 IonicContact NZ-OE1 3.16Å; K2252-E2384 IonicContact NZ-OE2 3.2Å; K2252-E2384 PolarHBondContact NZ-OE2 2.84Å |
| 2253 | E | 90.6 | Very high | 85.8 | Confident | 58.6 Ų | 58.6 | 41.7 Ų | 41.7 | 27% | 0.274 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 179.8 | -73.7 | -102.2 | 143.6 | 0 | 0 | 112.1 | I2022 H2180 E2249 H2250 H2255 M2256 L2257 R2260 | I2022-E2253 VanDerWaalsContact CD1-CD 3.46Å; I2022-E2253 WeakPolarHBondContact CD1-OE1 3.43Å; I2022-E2253 WeakPolarHBondContact CD1-OE2 3.49Å; I2022-E2253 WeakPolarHBondContact CG1-OE1 3.38Å; H2180-E2253 VanDerWaalsContact CE1-CB 3.46Å; H2180-E2253 WeakPolarHBondContact CE1-CB 3.35Å; H2180-E2253 IonicContact CE1-OE2 3.37Å; H2180-E2253 PolarHBondContact CE1-OE2 2.88Å; H2180-E2253 IonicContact ND1-OE2 3.32Å; H2180-E2253 IonicContact NE2-OE2 2.66Å; E2249-E2253 WeakPolarHBondContact O-CB 3.35Å; E2249-E2253 WeakPolarHBondContact O-CG 3.33Å; E2249-E2253 PolarHBondContact O-N 3.36Å; H2250-E2253 IonicContact ND1-OE2 3.69Å; H2250-E2253 PolarHBondContact ND1-OE2 3.36Å; H2250-E2253 PolarHBondContact O-N 3.14Å; E2253-H2255 VanDerWaalsContact C-N 3.34Å; E2253-H2255 PolarHBondContact O-N 3.2Å; E2253-M2256 PolarHBondContact O-N 3.05Å; E2253-L2257 HydrophobicContact CB-CD1 4.46Å; E2253-L2257 WeakPolarHBondContact O-CB 3.31Å; E2253-L2257 WeakPolarHBondContact O-CD1 3.43Å; E2253-L2257 VanDerWaalsContact O-CG 3.24Å; E2253-L2257 WeakPolarHBondContact O-CG 3.35Å; E2253-L2257 PolarHBondContact O-N 2.9Å; E2253-R2260 IonicContact OE2-NH1 3.55Å |
| 2254 | A | 89.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H2180 L2199 H2250 L2251 K2252 T2258 | H2180-A2254 HydrophobicContact CB-CB 3.76Å; L2199-A2254 HydrophobicContact CD2-CB 4.25Å; H2250-A2254 WeakPolarHBondContact O-CB 3.31Å; H2250-A2254 PolarHBondContact O-N 3.26Å; L2251-A2254 PolarHBondContact O-N 3.26Å; K2252-A2254 VanDerWaalsContact C-N 3.31Å; K2252-A2254 PolarHBondContact O-N 3.11Å; A2254-T2258 WeakPolarHBondContact O-CB 3.35Å; A2254-T2258 PolarHBondContact O-N 3.16Å; A2254-T2258 PolarHBondContact O-OG1 3.21Å |
| 2255 | H | 93.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -76.2 | -43.4 | -179.8 | -66.6 | 84.7 | 0 | 0 | 0 | 111.9 | M2225 S2228 F2229 L2251 K2252 E2253 T2258 L2259 | M2225-H2255 HydrophobicContact CG-CB 4.33Å; M2225-H2255 PolarHBondContact O-CD2 3.14Å; M2225-H2255 HydrophobicContact SD-CB 4.16Å; S2228-H2255 WeakPolarHBondContact CB-NE2 3.37Å; S2228-H2255 PolarHBondContact OG-NE2 3.2Å; F2229-H2255 HydrophobicContact CB-CB 4.3Å; F2229-H2255 HydrophobicContact CD2-CB 3.74Å; F2229-H2255 AromaticContact CD2-CG 3.64Å; F2229-H2255 AromaticContact CD2-ND1 3.74Å; F2229-H2255 HydrophobicContact CE2-CB 4.38Å; F2229-H2255 HydrophobicContact CG-CB 4.14Å; L2251-H2255 VanDerWaalsContact CD1-CE1 3.49Å; L2251-H2255 WeakPolarHBondContact CD1-CE1 3.36Å; L2251-H2255 PolarHBondContact O-N 2.99Å; L2251-H2255 PolarHBondContact O-ND1 3.11Å; K2252-H2255 PolarHBondContact O-N 3.01Å; K2252-H2255 VanDerWaalsContact O-N 3.16Å; E2253-H2255 VanDerWaalsContact C-N 3.34Å; E2253-H2255 PolarHBondContact O-N 3.2Å; H2255-T2258 WeakPolarHBondContact O-CB 3.36Å; H2255-T2258 PolarHBondContact O-N 3.11Å; H2255-L2259 WeakPolarHBondContact O-CB 3.23Å; H2255-L2259 PolarHBondContact O-N 3.03Å |
| 2256 | M | 91.1 | Very high | 83.3 | Confident | 17.8 Ų | 17.8 | 41.6 Ų | 41.6 | 9% | 0.088 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.4 | -34.6 | -178.4 | -66.6 | -55.2 | 105.8 | 0 | 0 | 112.6 | F2229 K2252 E2253 L2259 R2260 F2385 V2388 | F2229-M2256 HydrophobicContact CD1-CE 4.15Å; F2229-M2256 HydrophobicContact CE1-CE 3.83Å; F2229-M2256 HydrophobicContact CE2-CE 4.4Å; F2229-M2256 HydrophobicContact CG-CE 4.46Å; F2229-M2256 HydrophobicContact CZ-CE 3.99Å; K2252-M2256 HydrophobicContact CG-CG 3.81Å; K2252-M2256 VanDerWaalsContact O-CB 3.29Å; K2252-M2256 WeakPolarHBondContact O-CB 3.32Å; K2252-M2256 VanDerWaalsContact O-CG 3.25Å; K2252-M2256 WeakPolarHBondContact O-CG 3.33Å; K2252-M2256 PolarHBondContact O-N 3.08Å; E2253-M2256 PolarHBondContact O-N 3.05Å; M2256-L2259 HydrophobicContact CE-CD2 4.45Å; M2256-L2259 PolarHBondContact O-N 3.15Å; M2256-L2259 HydrophobicContact SD-CD2 4.29Å; M2256-R2260 VanDerWaalsContact O-CB 3.25Å; M2256-R2260 WeakPolarHBondContact O-CB 3.32Å; M2256-R2260 VanDerWaalsContact O-CG 3.26Å; M2256-R2260 WeakPolarHBondContact O-CG 3.33Å; M2256-R2260 PolarHBondContact O-N 3.29Å; M2256-F2385 HydrophobicContact CE-CD1 4Å; M2256-F2385 HydrophobicContact CE-CE1 3.77Å; M2256-V2388 HydrophobicContact CG-CG2 4.5Å; M2256-V2388 HydrophobicContact SD-CG2 3.7Å |
| 2257 | L | 85.4 | Confident | 81.6 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 172.2 | -73.7 | 168.5 | 0 | 0 | 0 | 111.2 | E2253 L2259 R2260 H2261 | E2253-L2257 HydrophobicContact CB-CD1 4.46Å; E2253-L2257 WeakPolarHBondContact O-CB 3.31Å; E2253-L2257 WeakPolarHBondContact O-CD1 3.43Å; E2253-L2257 VanDerWaalsContact O-CG 3.24Å; E2253-L2257 WeakPolarHBondContact O-CG 3.35Å; E2253-L2257 PolarHBondContact O-N 2.9Å; L2257-L2259 VanDerWaalsContact C-N 3.3Å; L2257-L2259 PolarHBondContact O-N 3.04Å; L2257-R2260 PolarHBondContact O-N 3.28Å; L2257-R2260 VanDerWaalsContact O-N 3.17Å; L2257-H2261 WeakPolarHBondContact O-CB 3.31Å; L2257-H2261 PolarHBondContact O-CD2 3.1Å; L2257-H2261 PolarHBondContact O-N 3.21Å; L2257-H2261 PolarHBondContact O-ND1 3.4Å |
| 2258 | T | 86.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.3 | -48.5 | 174 | -59 | 0 | 0 | 0 | 0 | 110.4 | I2173 I2177 I2221 M2225 A2254 H2255 R2260 H2261 M2262 | I2173-T2258 HydrophobicContact CG2-CG2 3.88Å; I2177-T2258 WeakPolarHBondContact CD1-OG1 3.35Å; I2177-T2258 WeakPolarHBondContact CG1-OG1 3.4Å; I2221-T2258 HydrophobicContact CG2-CG2 4.26Å; M2225-T2258 HydrophobicContact CG-CG2 4.43Å; A2254-T2258 WeakPolarHBondContact O-CB 3.35Å; A2254-T2258 PolarHBondContact O-N 3.16Å; A2254-T2258 PolarHBondContact O-OG1 3.21Å; H2255-T2258 WeakPolarHBondContact O-CB 3.36Å; H2255-T2258 PolarHBondContact O-N 3.11Å; T2258-R2260 PolarHBondContact O-N 3.42Å; T2258-H2261 PolarHBondContact O-N 3.1Å; T2258-M2262 VanDerWaalsContact O-CG 3.29Å; T2258-M2262 WeakPolarHBondContact O-CG 3.29Å; T2258-M2262 PolarHBondContact O-N 3.07Å; T2258-M2262 VanDerWaalsContact O-N 3.1Å |
| 2259 | L | 86.4 | Confident | 78.4 | Confident | 1.4 Ų | 1.4 | 53.2 Ų | 53.2 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.8 | -177.8 | 64.5 | 0 | 0 | 0 | 112.2 | M2225 H2255 M2256 L2257 H2261 M2262 L2263 V2275 V2279 F2385 V2388 V2390 | M2225-L2259 HydrophobicContact CE-CB 4.11Å; M2225-L2259 HydrophobicContact CE-CD1 3.81Å; M2225-L2259 HydrophobicContact CE-CD2 4.45Å; M2225-L2259 HydrophobicContact CE-CG 4.33Å; H2255-L2259 WeakPolarHBondContact O-CB 3.23Å; H2255-L2259 PolarHBondContact O-N 3.03Å; M2256-L2259 HydrophobicContact CE-CD2 4.45Å; M2256-L2259 PolarHBondContact O-N 3.15Å; M2256-L2259 HydrophobicContact SD-CD2 4.29Å; L2257-L2259 VanDerWaalsContact C-N 3.3Å; L2257-L2259 PolarHBondContact O-N 3.04Å; L2259-H2261 VanDerWaalsContact C-N 3.31Å; L2259-H2261 PolarHBondContact O-N 3.22Å; L2259-M2262 CarbonylContact O-C 3.54Å; L2259-M2262 WeakPolarHBondContact O-CA 3.38Å; L2259-M2262 WeakPolarHBondContact O-CB 3.3Å; L2259-M2262 PolarHBondContact O-N 3.11Å; L2259-M2262 VanDerWaalsContact O-N 3.13Å; L2259-L2263 HydrophobicContact CD1-CD1 4.45Å; L2259-L2263 HydrophobicContact CD1-CG 4.38Å; L2259-L2263 HydrophobicContact CG-CD1 4.15Å; L2259-L2263 HydrophobicContact CG-CG 4.43Å; L2259-L2263 VanDerWaalsContact O-CG 3.3Å; L2259-L2263 WeakPolarHBondContact O-CG 3.34Å; L2259-L2263 PolarHBondContact O-N 3.29Å; L2259-V2275 HydrophobicContact CD1-CG1 3.67Å; L2259-V2279 HydrophobicContact CD1-CG2 3.94Å; L2259-F2385 HydrophobicContact CD2-CD1 4.39Å; L2259-F2385 HydrophobicContact CD2-CE1 4.41Å; L2259-V2388 HydrophobicContact CD2-CB 4.41Å; L2259-V2388 HydrophobicContact CD2-CG1 4.25Å; L2259-V2390 HydrophobicContact CD1-CG1 4.36Å; L2259-V2390 HydrophobicContact CD1-CG2 4.12Å; L2259-V2390 HydrophobicContact CD2-CB 4.31Å; L2259-V2390 HydrophobicContact CD2-CG1 3.87Å; L2259-V2390 HydrophobicContact CD2-CG2 3.85Å; L2259-V2390 HydrophobicContact CG-CG1 4.28Å |
| 2260 | R | 83.5 | Confident | 77.2 | Confident | 159.8 Ų | 159.8 | 50.4 Ų | 50.4 | 60% | 0.603 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 178.8 | -159.2 | 176.8 | -178.5 | 149.4 | 2.9 | 112.7 | E2253 M2256 L2257 T2258 M2262 L2263 S2264 | E2253-R2260 IonicContact OE2-NH1 3.55Å; M2256-R2260 VanDerWaalsContact O-CB 3.25Å; M2256-R2260 WeakPolarHBondContact O-CB 3.32Å; M2256-R2260 VanDerWaalsContact O-CG 3.26Å; M2256-R2260 WeakPolarHBondContact O-CG 3.33Å; M2256-R2260 PolarHBondContact O-N 3.29Å; L2257-R2260 PolarHBondContact O-N 3.28Å; L2257-R2260 VanDerWaalsContact O-N 3.17Å; T2258-R2260 PolarHBondContact O-N 3.42Å; R2260-M2262 VanDerWaalsContact C-N 3.33Å; R2260-L2263 PolarHBondContact O-N 3.19Å; R2260-S2264 WeakPolarHBondContact O-CB 3.43Å; R2260-S2264 PolarHBondContact O-N 3.29Å; R2260-S2264 VanDerWaalsContact O-N 3.17Å; R2260-S2264 PolarHBondContact O-OG 3.49Å |
| 2261 | H | 80.1 | Confident | 76.2 | Confident | 34.8 Ų | 34.8 | 49.7 Ų | 49.7 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 174.2 | -74.2 | -15.4 | 0 | 0 | 0 | 111 | L2169 I2173 Q2176 L2257 T2258 L2259 L2263 S2264 L2265 | L2169-H2261 HydrophobicContact CD1-CB 4.48Å; L2169-H2261 HydrophobicContact CD2-CB 3.75Å; I2173-H2261 HydrophobicContact CD1-CB 3.67Å; I2173-H2261 HydrophobicContact CG1-CB 3.57Å; Q2176-H2261 VanDerWaalsContact CD-CE1 3.46Å; Q2176-H2261 PolarHBondContact NE2-CE1 3.22Å; Q2176-H2261 PolarHBondContact NE2-NE2 2.89Å; Q2176-H2261 PolarHBondContact OE1-CD2 3.18Å; Q2176-H2261 PolarHBondContact OE1-CE1 3.13Å; Q2176-H2261 PolarHBondContact OE1-ND1 2.82Å; Q2176-H2261 PolarHBondContact OE1-NE2 3.37Å; L2257-H2261 WeakPolarHBondContact O-CB 3.31Å; L2257-H2261 PolarHBondContact O-CD2 3.1Å; L2257-H2261 PolarHBondContact O-N 3.21Å; L2257-H2261 PolarHBondContact O-ND1 3.4Å; T2258-H2261 PolarHBondContact O-N 3.1Å; L2259-H2261 VanDerWaalsContact C-N 3.31Å; L2259-H2261 PolarHBondContact O-N 3.22Å; H2261-L2263 VanDerWaalsContact C-N 3.31Å; H2261-L2263 PolarHBondContact O-N 2.83Å; H2261-S2264 WeakPolarHBondContact CA-OG 3.35Å; H2261-S2264 PolarHBondContact O-N 3.26Å; H2261-S2264 VanDerWaalsContact O-N 3.14Å; H2261-S2264 PolarHBondContact O-OG 3.17Å; H2261-L2265 VanDerWaalsContact O-CD1 3.28Å; H2261-L2265 WeakPolarHBondContact O-CD1 3.31Å; H2261-L2265 PolarHBondContact O-N 3.44Å |
| 2262 | M | 78.4 | Confident | 75.5 | Confident | 3.6 Ų | 3.6 | 54.2 Ų | 54.2 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 173.8 | -69.4 | -62.2 | -64.6 | 0 | 0 | 112.5 | F2170 I2173 A2218 I2222 T2258 L2259 R2260 S2264 L2265 W2274 V2275 | F2170-M2262 HydrophobicContact CE1-SD 4.46Å; I2173-M2262 HydrophobicContact CD1-SD 4.42Å; A2218-M2262 HydrophobicContact CB-CE 3.9Å; I2222-M2262 HydrophobicContact CD1-CE 4.42Å; I2222-M2262 HydrophobicContact CG1-CE 4.43Å; T2258-M2262 VanDerWaalsContact O-CG 3.29Å; T2258-M2262 WeakPolarHBondContact O-CG 3.29Å; T2258-M2262 PolarHBondContact O-N 3.07Å; T2258-M2262 VanDerWaalsContact O-N 3.1Å; L2259-M2262 CarbonylContact O-C 3.54Å; L2259-M2262 WeakPolarHBondContact O-CA 3.38Å; L2259-M2262 WeakPolarHBondContact O-CB 3.3Å; L2259-M2262 PolarHBondContact O-N 3.11Å; L2259-M2262 VanDerWaalsContact O-N 3.13Å; R2260-M2262 VanDerWaalsContact C-N 3.33Å; M2262-S2264 VanDerWaalsContact C-N 3.28Å; M2262-S2264 PolarHBondContact O-N 3.08Å; M2262-L2265 HydrophobicContact CE-CD1 4.39Å; M2262-L2265 VanDerWaalsContact O-CD1 3.27Å; M2262-L2265 WeakPolarHBondContact O-CD1 3.33Å; M2262-L2265 PolarHBondContact O-N 3.11Å; M2262-L2265 HydrophobicContact SD-CD1 4.3Å; M2262-W2274 HydrophobicContact CE-CZ3 4.3Å; M2262-V2275 HydrophobicContact CB-CG1 4.27Å; M2262-V2275 HydrophobicContact CB-CG2 4.38Å |
| 2263 | L | 76.9 | Confident | 74.7 | Confident | 26.4 Ų | 26.4 | 53.9 Ų | 53.9 | 14% | 0.138 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70 | -26.8 | 176.4 | -68.1 | 167.3 | 0 | 0 | 0 | 113.3 | L2259 R2260 H2261 L2265 Y2272 V2275 V2388 V2390 | L2259-L2263 HydrophobicContact CD1-CD1 4.45Å; L2259-L2263 HydrophobicContact CD1-CG 4.38Å; L2259-L2263 HydrophobicContact CG-CD1 4.15Å; L2259-L2263 HydrophobicContact CG-CG 4.43Å; L2259-L2263 VanDerWaalsContact O-CG 3.3Å; L2259-L2263 WeakPolarHBondContact O-CG 3.34Å; L2259-L2263 PolarHBondContact O-N 3.29Å; R2260-L2263 PolarHBondContact O-N 3.19Å; H2261-L2263 VanDerWaalsContact C-N 3.31Å; H2261-L2263 PolarHBondContact O-N 2.83Å; L2263-L2265 VanDerWaalsContact C-N 3.28Å; L2263-L2265 PolarHBondContact O-N 3.11Å; L2263-Y2272 HydrophobicContact CB-CD2 4.38Å; L2263-Y2272 HydrophobicContact CD1-CD2 4.48Å; L2263-Y2272 HydrophobicContact CD1-CE2 4.37Å; L2263-Y2272 HydrophobicContact CD2-CD2 3.58Å; L2263-Y2272 VanDerWaalsContact CD2-CD2 3.5Å; L2263-Y2272 HydrophobicContact CD2-CE2 4.01Å; L2263-Y2272 HydrophobicContact CD2-CG 4.21Å; L2263-Y2272 HydrophobicContact CG-CD2 4.38Å; L2263-V2275 HydrophobicContact CD2-CB 3.65Å; L2263-V2275 HydrophobicContact CD2-CG1 3.62Å; L2263-V2275 HydrophobicContact CD2-CG2 4.25Å; L2263-V2275 HydrophobicContact CG-CB 4.48Å; L2263-V2275 HydrophobicContact CG-CG1 4.13Å; L2263-V2388 HydrophobicContact CD1-CG1 4.32Å; L2263-V2390 HydrophobicContact CD1-CG1 3.83Å; L2263-V2390 HydrophobicContact CD1-CG2 4.48Å; L2263-V2390 HydrophobicContact CD2-CG1 4.22Å; L2263-V2390 HydrophobicContact CD2-CG2 4.13Å; L2263-V2390 HydrophobicContact CG-CG1 4.47Å |
| 2264 | S | 70.7 | Confident | 74.4 | Confident | 77 Ų | 77 | 54 Ų | 54 | 54% | 0.538 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2 | -178.4 | 146.7 | 0 | 0 | 0 | 0 | 114.3 | R2260 H2261 M2262 E2266 | R2260-S2264 WeakPolarHBondContact O-CB 3.43Å; R2260-S2264 PolarHBondContact O-N 3.29Å; R2260-S2264 VanDerWaalsContact O-N 3.17Å; R2260-S2264 PolarHBondContact O-OG 3.49Å; H2261-S2264 WeakPolarHBondContact CA-OG 3.35Å; H2261-S2264 PolarHBondContact O-N 3.26Å; H2261-S2264 VanDerWaalsContact O-N 3.14Å; H2261-S2264 PolarHBondContact O-OG 3.17Å; M2262-S2264 VanDerWaalsContact C-N 3.28Å; M2262-S2264 PolarHBondContact O-N 3.08Å; S2264-E2266 VanDerWaalsContact C-N 3.25Å; S2264-E2266 PolarHBondContact O-N 3.28Å |
| 2265 | L | 65.9 | Low | 74.1 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | trans | -74 | 65.7 | 176.6 | -82.8 | 105.4 | 0 | 0 | 0 | 111.1 | L2166 L2169 H2261 M2262 L2263 Q2267 T2268 F2270 | L2166-L2265 HydrophobicContact CD2-CD2 3.77Å; L2166-L2265 HydrophobicContact CD2-CG 4.45Å; L2169-L2265 HydrophobicContact CD1-CD1 3.9Å; L2169-L2265 HydrophobicContact CD1-CG 4.21Å; L2169-L2265 HydrophobicContact CD2-CD1 3.69Å; L2169-L2265 HydrophobicContact CD2-CD2 4.16Å; L2169-L2265 HydrophobicContact CD2-CG 4.11Å; H2261-L2265 VanDerWaalsContact O-CD1 3.28Å; H2261-L2265 WeakPolarHBondContact O-CD1 3.31Å; H2261-L2265 PolarHBondContact O-N 3.44Å; M2262-L2265 HydrophobicContact CE-CD1 4.39Å; M2262-L2265 VanDerWaalsContact O-CD1 3.27Å; M2262-L2265 WeakPolarHBondContact O-CD1 3.33Å; M2262-L2265 PolarHBondContact O-N 3.11Å; M2262-L2265 HydrophobicContact SD-CD1 4.3Å; L2263-L2265 VanDerWaalsContact C-N 3.28Å; L2263-L2265 PolarHBondContact O-N 3.11Å; L2265-Q2267 VanDerWaalsContact C-N 3.31Å; L2265-Q2267 PolarHBondContact O-N 2.93Å; L2265-Q2267 VanDerWaalsContact O-N 3.11Å; L2265-T2268 VanDerWaalsContact CB-OG1 3.29Å; L2265-T2268 WeakPolarHBondContact CB-OG1 3.42Å; L2265-T2268 HydrophobicContact CD2-CG2 3.78Å; L2265-T2268 WeakPolarHBondContact CD2-OG1 3.27Å; L2265-T2268 WeakPolarHBondContact CG-OG1 3.44Å; L2265-T2268 PolarHBondContact O-N 3.29Å; L2265-T2268 VanDerWaalsContact O-N 3.1Å; L2265-T2268 PolarHBondContact O-OG1 3.11Å; L2265-F2270 HydrophobicContact CB-CB 4.36Å; L2265-F2270 HydrophobicContact CD2-CB 4.47Å; L2265-F2270 HydrophobicContact CD2-CD2 4.23Å; L2265-F2270 CarbonylContact O-C 3.57Å | ||
| 2266 | E | 51.9 | Low | 73.8 | Confident | 173.8 Ų | 173.8 | 54 Ų | 54 | 81% | 0.812 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.2 | -179.8 | -73 | -174.3 | 167.4 | 0 | 0 | 113.7 | S2264 T2268 | S2264-E2266 VanDerWaalsContact C-N 3.25Å; S2264-E2266 PolarHBondContact O-N 3.28Å; E2266-T2268 PolarHBondContact O-N 3.2Å; E2266-T2268 VanDerWaalsContact O-N 3.07Å |
| 2267 | Q | 46.4 | Very low | 73.6 | Confident | 177 Ų | 177 | 59.8 Ų | 59.8 | 83% | 0.827 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 27.6 | -174.8 | -69.6 | -170.2 | 12.2 | 0 | 0 | 114.4 | L2265 P2269 F2270 | L2265-Q2267 VanDerWaalsContact C-N 3.31Å; L2265-Q2267 PolarHBondContact O-N 2.93Å; L2265-Q2267 VanDerWaalsContact O-N 3.11Å; Q2267-P2269 VanDerWaalsContact O-N 3.15Å; Q2267-F2270 PolarHBondContact O-N 2.98Å |
| 2268 | T | 51.4 | Low | 73.7 | Confident | 64.2 Ų | 64.2 | 59.4 Ų | 59.4 | 39% | 0.394 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -118.9 | 155.1 | 177.7 | 18.1 | 0 | 0 | 0 | 0 | 108.8 | L2166 L2265 E2266 F2270 | L2166-T2268 HydrophobicContact CD1-CG2 4.36Å; L2166-T2268 HydrophobicContact CD2-CG2 4.18Å; L2265-T2268 VanDerWaalsContact CB-OG1 3.29Å; L2265-T2268 WeakPolarHBondContact CB-OG1 3.42Å; L2265-T2268 HydrophobicContact CD2-CG2 3.78Å; L2265-T2268 WeakPolarHBondContact CD2-OG1 3.27Å; L2265-T2268 WeakPolarHBondContact CG-OG1 3.44Å; L2265-T2268 PolarHBondContact O-N 3.29Å; L2265-T2268 VanDerWaalsContact O-N 3.1Å; L2265-T2268 PolarHBondContact O-OG1 3.11Å; E2266-T2268 PolarHBondContact O-N 3.2Å; E2266-T2268 VanDerWaalsContact O-N 3.07Å; T2268-F2270 PolarHBondContact O-N 3.31Å |
| 2269 | P | 56.7 | Low | 74 | Confident | 100.4 Ų | 100.4 | 59.3 Ų | 59.3 | 65% | 0.652 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -68.3 | 2.3 | 171.7 | 25.6 | -33.5 | 0 | 0 | 0 | 115.7 | Q2267 G2271 | Q2267-P2269 VanDerWaalsContact O-N 3.15Å; P2269-G2271 PolarHBondContact O-N 3.2Å |
| 2270 | F | 62.9 | Low | 74.3 | Confident | 29.4 Ų | 29.4 | 59.3 Ų | 59.3 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | trans | -101.5 | 53.2 | -176.6 | -46.8 | -66.6 | 0 | 0 | 0 | 113 | P2215 A2218 L2265 Q2267 T2268 W2274 | P2215-F2270 HydrophobicContact CB-CE1 3.78Å; P2215-F2270 HydrophobicContact CB-CZ 3.77Å; A2218-F2270 HydrophobicContact CB-CD1 4.13Å; A2218-F2270 HydrophobicContact CB-CE1 3.81Å; A2218-F2270 HydrophobicContact CB-CZ 4.15Å; L2265-F2270 HydrophobicContact CB-CB 4.36Å; L2265-F2270 HydrophobicContact CD2-CB 4.47Å; L2265-F2270 HydrophobicContact CD2-CD2 4.23Å; L2265-F2270 CarbonylContact O-C 3.57Å; Q2267-F2270 PolarHBondContact O-N 2.98Å; T2268-F2270 PolarHBondContact O-N 3.31Å; F2270-W2274 HydrophobicContact CB-CE3 4.08Å; F2270-W2274 HydrophobicContact CB-CZ3 4.38Å; F2270-W2274 AromaticContact CD1-CD2 3.92Å; F2270-W2274 HydrophobicContact CD1-CD2 3.95Å; F2270-W2274 AromaticContact CD1-CE2 3.91Å; F2270-W2274 AromaticContact CD1-CE3 3.77Å; F2270-W2274 HydrophobicContact CD1-CE3 3.77Å; F2270-W2274 AromaticContact CD1-CH2 3.73Å; F2270-W2274 HydrophobicContact CD1-CH2 3.73Å; F2270-W2274 AromaticContact CD1-CZ2 3.89Å; F2270-W2274 HydrophobicContact CD1-CZ2 3.89Å; F2270-W2274 AromaticContact CD1-CZ3 3.65Å; F2270-W2274 HydrophobicContact CD1-CZ3 3.65Å; F2270-W2274 AromaticContact CE1-CH2 3.99Å; F2270-W2274 HydrophobicContact CE1-CH2 4.05Å; F2270-W2274 AromaticContact CE1-CZ2 3.93Å; F2270-W2274 HydrophobicContact CE1-CZ2 4.06Å; F2270-W2274 HydrophobicContact CE1-CZ3 4.39Å; F2270-W2274 HydrophobicContact CG-CE3 4.41Å; F2270-W2274 HydrophobicContact CG-CZ3 4.42Å | ||
| 2271 | G | 69.2 | Low | 74.7 | Confident | 26.8 Ų | 26.8 | 55.8 Ų | 55.8 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | trans | -69.7 | 172.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P2269 A2273 W2274 V2275 | P2269-G2271 PolarHBondContact O-N 3.2Å; G2271-A2273 VanDerWaalsContact C-N 3.27Å; G2271-A2273 PolarHBondContact O-N 3.28Å; G2271-A2273 VanDerWaalsContact O-N 3.16Å; G2271-W2274 WeakPolarHBondContact O-CA 3.35Å; G2271-W2274 WeakPolarHBondContact O-CB 3.34Å; G2271-W2274 PolarHBondContact O-N 3.17Å; G2271-V2275 PolarHBondContact O-N 3.2Å; G2271-V2275 VanDerWaalsContact O-N 3.1Å | ||
| 2272 | Y | 75.8 | Confident | 75.3 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -46.3 | -47.9 | 177 | -178 | -88 | 0 | 0 | 0 | 112.8 | L2263 W2274 V2275 T2276 H2389 F2581 | L2263-Y2272 HydrophobicContact CB-CD2 4.38Å; L2263-Y2272 HydrophobicContact CD1-CD2 4.48Å; L2263-Y2272 HydrophobicContact CD1-CE2 4.37Å; L2263-Y2272 HydrophobicContact CD2-CD2 3.58Å; L2263-Y2272 VanDerWaalsContact CD2-CD2 3.5Å; L2263-Y2272 HydrophobicContact CD2-CE2 4.01Å; L2263-Y2272 HydrophobicContact CD2-CG 4.21Å; L2263-Y2272 HydrophobicContact CG-CD2 4.38Å; Y2272-W2274 VanDerWaalsContact C-N 3.32Å; Y2272-W2274 PolarHBondContact O-N 3.3Å; Y2272-V2275 PolarHBondContact O-N 3.25Å; Y2272-T2276 WeakPolarHBondContact CE1-OG1 3.28Å; Y2272-T2276 VanDerWaalsContact O-CB 3.31Å; Y2272-T2276 WeakPolarHBondContact O-CB 3.34Å; Y2272-T2276 PolarHBondContact O-N 3.12Å; Y2272-T2276 PolarHBondContact O-OG1 3.25Å; Y2272-H2389 VanDerWaalsContact OH-C 3.26Å; Y2272-H2389 VanDerWaalsContact OH-CB 3.29Å; Y2272-H2389 WeakPolarHBondContact OH-CB 3.47Å; Y2272-H2389 PolarHBondContact OH-O 3.03Å; Y2272-F2581 HydrophobicContact CD1-CB 4.33Å; Y2272-F2581 HydrophobicContact CE1-CB 4.14Å; Y2272-F2581 HydrophobicContact CE1-CD2 4.18Å; Y2272-F2581 HydrophobicContact CE1-CG 4.32Å |
| 2273 | A | 76.2 | Confident | 76.1 | Confident | 34.8 Ų | 34.8 | 54.5 Ų | 54.5 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G2271 R2277 Y2392 D2582 | G2271-A2273 VanDerWaalsContact C-N 3.27Å; G2271-A2273 PolarHBondContact O-N 3.28Å; G2271-A2273 VanDerWaalsContact O-N 3.16Å; A2273-R2277 VanDerWaalsContact O-CB 3.27Å; A2273-R2277 WeakPolarHBondContact O-CB 3.38Å; A2273-R2277 PolarHBondContact O-N 3.26Å; A2273-R2277 VanDerWaalsContact O-N 3.13Å; A2273-Y2392 WeakPolarHBondContact CA-OH 3.35Å; A2273-Y2392 WeakPolarHBondContact CB-OH 3.3Å; A2273-Y2392 PolarHBondContact O-OH 2.98Å; A2273-Y2392 VanDerWaalsContact O-OH 3.13Å; A2273-D2582 HydrophobicContact CB-CB 4.31Å; A2273-D2582 VanDerWaalsContact CB-OD1 3.23Å; A2273-D2582 WeakPolarHBondContact CB-OD1 3.37Å |
| 2274 | W | 82.7 | Confident | 76.8 | Confident | 59.8 Ų | 59.8 | 54.8 Ų | 54.8 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.6 | -47.5 | 177.4 | -176.8 | 92.2 | 0 | 0 | 0 | 110.9 | A2218 N2219 I2222 M2262 F2270 G2271 Y2272 T2276 R2277 Q2278 | A2218-W2274 HydrophobicContact CB-CH2 3.79Å; A2218-W2274 HydrophobicContact CB-CZ3 4.22Å; N2219-W2274 HydrophobicContact CB-CH2 4.32Å; N2219-W2274 HydrophobicContact CB-CZ2 4.4Å; I2222-W2274 HydrophobicContact CD1-CE3 4.3Å; I2222-W2274 HydrophobicContact CD1-CH2 4.14Å; I2222-W2274 HydrophobicContact CD1-CZ3 3.52Å; I2222-W2274 VanDerWaalsContact CD1-CZ3 3.43Å; M2262-W2274 HydrophobicContact CE-CZ3 4.3Å; F2270-W2274 HydrophobicContact CB-CE3 4.08Å; F2270-W2274 HydrophobicContact CB-CZ3 4.38Å; F2270-W2274 AromaticContact CD1-CD2 3.92Å; F2270-W2274 HydrophobicContact CD1-CD2 3.95Å; F2270-W2274 AromaticContact CD1-CE2 3.91Å; F2270-W2274 AromaticContact CD1-CE3 3.77Å; F2270-W2274 HydrophobicContact CD1-CE3 3.77Å; F2270-W2274 AromaticContact CD1-CH2 3.73Å; F2270-W2274 HydrophobicContact CD1-CH2 3.73Å; F2270-W2274 AromaticContact CD1-CZ2 3.89Å; F2270-W2274 HydrophobicContact CD1-CZ2 3.89Å; F2270-W2274 AromaticContact CD1-CZ3 3.65Å; F2270-W2274 HydrophobicContact CD1-CZ3 3.65Å; F2270-W2274 AromaticContact CE1-CH2 3.99Å; F2270-W2274 HydrophobicContact CE1-CH2 4.05Å; F2270-W2274 AromaticContact CE1-CZ2 3.93Å; F2270-W2274 HydrophobicContact CE1-CZ2 4.06Å; F2270-W2274 HydrophobicContact CE1-CZ3 4.39Å; F2270-W2274 HydrophobicContact CG-CE3 4.41Å; F2270-W2274 HydrophobicContact CG-CZ3 4.42Å; G2271-W2274 WeakPolarHBondContact O-CA 3.35Å; G2271-W2274 WeakPolarHBondContact O-CB 3.34Å; G2271-W2274 PolarHBondContact O-N 3.17Å; Y2272-W2274 VanDerWaalsContact C-N 3.32Å; Y2272-W2274 PolarHBondContact O-N 3.3Å; W2274-T2276 PolarHBondContact O-N 2.97Å; W2274-R2277 WeakPolarHBondContact O-CB 3.32Å; W2274-R2277 PolarHBondContact O-N 3.19Å; W2274-Q2278 HydrophobicContact CD2-CG 3.83Å; W2274-Q2278 HydrophobicContact CE3-CG 3.95Å; W2274-Q2278 HydrophobicContact CH2-CG 3.73Å; W2274-Q2278 HydrophobicContact CZ2-CG 3.59Å; W2274-Q2278 HydrophobicContact CZ3-CG 3.91Å; W2274-Q2278 WeakPolarHBondContact O-CG 3.31Å; W2274-Q2278 PolarHBondContact O-N 3.13Å |
| 2275 | V | 85.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | I2222 L2259 M2262 L2263 G2271 Y2272 R2277 Q2278 V2279 | I2222-V2275 HydrophobicContact CD1-CB 4.47Å; I2222-V2275 HydrophobicContact CD1-CG1 4.1Å; I2222-V2275 HydrophobicContact CD1-CG2 4.46Å; L2259-V2275 HydrophobicContact CD1-CG1 3.67Å; M2262-V2275 HydrophobicContact CB-CG1 4.27Å; M2262-V2275 HydrophobicContact CB-CG2 4.38Å; L2263-V2275 HydrophobicContact CD2-CB 3.65Å; L2263-V2275 HydrophobicContact CD2-CG1 3.62Å; L2263-V2275 HydrophobicContact CD2-CG2 4.25Å; L2263-V2275 HydrophobicContact CG-CB 4.48Å; L2263-V2275 HydrophobicContact CG-CG1 4.13Å; G2271-V2275 PolarHBondContact O-N 3.2Å; G2271-V2275 VanDerWaalsContact O-N 3.1Å; Y2272-V2275 PolarHBondContact O-N 3.25Å; V2275-R2277 VanDerWaalsContact C-N 3.27Å; V2275-R2277 PolarHBondContact O-N 3.06Å; V2275-Q2278 PolarHBondContact O-N 3.28Å; V2275-Q2278 VanDerWaalsContact O-N 3.14Å; V2275-V2279 HydrophobicContact CG1-CG2 4.29Å; V2275-V2279 WeakPolarHBondContact O-CG2 3.23Å; V2275-V2279 PolarHBondContact O-N 3.23Å |
| 2276 | T | 86.6 | Confident | 78.9 | Confident | 2.6 Ų | 2.6 | 57.5 Ų | 57.5 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.5 | -41 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | Y2272 W2274 T2280 V2390 Y2392 | Y2272-T2276 WeakPolarHBondContact CE1-OG1 3.28Å; Y2272-T2276 VanDerWaalsContact O-CB 3.31Å; Y2272-T2276 WeakPolarHBondContact O-CB 3.34Å; Y2272-T2276 PolarHBondContact O-N 3.12Å; Y2272-T2276 PolarHBondContact O-OG1 3.25Å; W2274-T2276 PolarHBondContact O-N 2.97Å; T2276-T2280 VanDerWaalsContact O-CB 3.31Å; T2276-T2280 WeakPolarHBondContact O-CB 3.37Å; T2276-T2280 PolarHBondContact O-N 3.02Å; T2276-T2280 PolarHBondContact O-OG1 3.13Å; T2276-V2390 WeakPolarHBondContact CG2-O 3.41Å; T2276-Y2392 HydrophobicContact CG2-CD1 4.08Å; T2276-Y2392 HydrophobicContact CG2-CD2 3.82Å; T2276-Y2392 HydrophobicContact CG2-CE1 3.99Å; T2276-Y2392 HydrophobicContact CG2-CE2 3.65Å; T2276-Y2392 HydrophobicContact CG2-CG 4.08Å |
| 2277 | R | 86.2 | Confident | 80.3 | Confident | 139.4 Ų | 139.4 | 55 Ų | 55 | 53% | 0.526 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.4 | -170.5 | 174.6 | 178.2 | 154.4 | -1.3 | 111.6 | A2273 W2274 V2275 T2280 H2281 E2319 Y2392 | A2273-R2277 VanDerWaalsContact O-CB 3.27Å; A2273-R2277 WeakPolarHBondContact O-CB 3.38Å; A2273-R2277 PolarHBondContact O-N 3.26Å; A2273-R2277 VanDerWaalsContact O-N 3.13Å; W2274-R2277 WeakPolarHBondContact O-CB 3.32Å; W2274-R2277 PolarHBondContact O-N 3.19Å; V2275-R2277 VanDerWaalsContact C-N 3.27Å; V2275-R2277 PolarHBondContact O-N 3.06Å; R2277-T2280 PolarHBondContact O-N 2.96Å; R2277-H2281 WeakPolarHBondContact O-CB 3.41Å; R2277-H2281 PolarHBondContact O-N 3.34Å; R2277-E2319 IonicContact NH2-OE1 3.25Å; R2277-E2319 PolarHBondContact NH2-OE1 3.35Å; R2277-Y2392 VanDerWaalsContact CA-CE2 3.45Å; R2277-Y2392 HydrophobicContact CB-CD2 4.47Å; R2277-Y2392 HydrophobicContact CB-CE2 3.85Å; R2277-Y2392 HydrophobicContact CG-CE2 4.36Å |
| 2278 | Q | 88.8 | Confident | 81.5 | Confident | 27.8 Ų | 27.8 | 47.2 Ų | 47.2 | 13% | 0.13 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 179.8 | -64.3 | -47.8 | -35.8 | 0 | 0 | 112.1 | N2219 I2222 W2274 V2275 T2280 H2281 T2282 | N2219-Q2278 PolarHBondContact ND2-OE1 3.05Å; N2219-Q2278 VanDerWaalsContact ND2-OE1 3.17Å; N2219-Q2278 PolarHBondContact OD1-OE1 3.15Å; I2222-Q2278 HydrophobicContact CD1-CB 3.83Å; I2222-Q2278 HydrophobicContact CD1-CG 4.35Å; I2222-Q2278 HydrophobicContact CG2-CB 4.16Å; W2274-Q2278 HydrophobicContact CD2-CG 3.83Å; W2274-Q2278 HydrophobicContact CE3-CG 3.95Å; W2274-Q2278 HydrophobicContact CH2-CG 3.73Å; W2274-Q2278 HydrophobicContact CZ2-CG 3.59Å; W2274-Q2278 HydrophobicContact CZ3-CG 3.91Å; W2274-Q2278 WeakPolarHBondContact O-CG 3.31Å; W2274-Q2278 PolarHBondContact O-N 3.13Å; V2275-Q2278 PolarHBondContact O-N 3.28Å; V2275-Q2278 VanDerWaalsContact O-N 3.14Å; Q2278-T2280 PolarHBondContact O-N 2.85Å; Q2278-H2281 PolarHBondContact O-N 3.32Å; Q2278-T2282 VanDerWaalsContact O-CB 3.31Å; Q2278-T2282 WeakPolarHBondContact O-CB 3.38Å; Q2278-T2282 PolarHBondContact O-N 3.35Å; Q2278-T2282 PolarHBondContact O-OG1 3.02Å |
| 2279 | V | 92.2 | Very high | 82.3 | Confident | 0.8 Ų | 0.8 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | I2222 V2226 L2259 V2275 H2281 T2282 W2283 V2390 I2391 | I2222-V2279 HydrophobicContact CG2-CG2 3.7Å; V2226-V2279 HydrophobicContact CG2-CG1 4.15Å; V2226-V2279 HydrophobicContact CG2-CG2 4.3Å; L2259-V2279 HydrophobicContact CD1-CG2 3.94Å; V2275-V2279 HydrophobicContact CG1-CG2 4.29Å; V2275-V2279 WeakPolarHBondContact O-CG2 3.23Å; V2275-V2279 PolarHBondContact O-N 3.23Å; V2279-H2281 PolarHBondContact O-N 3.31Å; V2279-T2282 PolarHBondContact O-N 3.12Å; V2279-W2283 PolarHBondContact O-N 3.03Å; V2279-W2283 VanDerWaalsContact O-N 3.08Å; V2279-V2390 HydrophobicContact CB-CG2 4.1Å; V2279-V2390 HydrophobicContact CG1-CG1 4.17Å; V2279-V2390 HydrophobicContact CG1-CG2 4.2Å; V2279-V2390 HydrophobicContact CG2-CG2 3.92Å; V2279-I2391 HydrophobicContact CG1-CD1 3.98Å |
| 2280 | T | 92.1 | Very high | 82.2 | Confident | 0.6 Ų | 0.6 | 47.6 Ų | 47.6 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | T2276 R2277 Q2278 T2282 W2283 I2284 I2391 Y2392 Q2395 V2396 | T2276-T2280 VanDerWaalsContact O-CB 3.31Å; T2276-T2280 WeakPolarHBondContact O-CB 3.37Å; T2276-T2280 PolarHBondContact O-N 3.02Å; T2276-T2280 PolarHBondContact O-OG1 3.13Å; R2277-T2280 PolarHBondContact O-N 2.96Å; Q2278-T2280 PolarHBondContact O-N 2.85Å; T2280-T2282 PolarHBondContact O-N 3.15Å; T2280-W2283 PolarHBondContact O-N 3.15Å; T2280-I2284 HydrophobicContact CG2-CD1 3.88Å; T2280-I2284 VanDerWaalsContact O-CG1 3.31Å; T2280-I2284 WeakPolarHBondContact O-CG1 3.33Å; T2280-I2284 PolarHBondContact O-N 3.18Å; T2280-I2391 WeakPolarHBondContact OG1-CA 3.37Å; T2280-Y2392 PolarHBondContact OG1-N 3.2Å; T2280-Y2392 VanDerWaalsContact OG1-N 3.12Å; T2280-Q2395 HydrophobicContact CG2-CB 4.12Å; T2280-V2396 HydrophobicContact CG2-CG2 3.94Å |
| 2281 | H | 92 | Very high | 81.5 | Confident | 86.6 Ų | 86.6 | 50.9 Ų | 50.9 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 179.5 | -177.8 | -87.1 | 0 | 0 | 0 | 112.1 | R2277 Q2278 V2279 W2283 I2284 H2285 | R2277-H2281 WeakPolarHBondContact O-CB 3.41Å; R2277-H2281 PolarHBondContact O-N 3.34Å; Q2278-H2281 PolarHBondContact O-N 3.32Å; V2279-H2281 PolarHBondContact O-N 3.31Å; H2281-W2283 VanDerWaalsContact C-N 3.32Å; H2281-W2283 PolarHBondContact O-N 2.98Å; H2281-I2284 PolarHBondContact O-N 3.11Å; H2281-H2285 AromaticContact CD2-CD2 3.6Å; H2281-H2285 AromaticContact CD2-NE2 3.71Å; H2281-H2285 AromaticContact CE1-CD2 3.31Å; H2281-H2285 PolarHBondContact CE1-CD2 3.24Å; H2281-H2285 AromaticContact CE1-NE2 3.67Å; H2281-H2285 AromaticContact CG-CD2 3.81Å; H2281-H2285 AromaticContact ND1-CD2 3.64Å; H2281-H2285 AromaticContact NE2-CD2 3.32Å; H2281-H2285 PolarHBondContact NE2-CD2 3.19Å; H2281-H2285 VanDerWaalsContact NE2-CD2 3.31Å; H2281-H2285 AromaticContact NE2-NE2 3.24Å; H2281-H2285 PolarHBondContact NE2-NE2 3.1Å; H2281-H2285 VanDerWaalsContact NE2-NE2 3.2Å; H2281-H2285 WeakPolarHBondContact O-CB 3.02Å; H2281-H2285 PolarHBondContact O-CD2 3.28Å; H2281-H2285 VanDerWaalsContact O-CD2 3.28Å; H2281-H2285 PolarHBondContact O-N 3.15Å |
| 2282 | T | 93 | Very high | 79.8 | Confident | 9.6 Ų | 9.6 | 54.6 Ų | 54.6 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -48 | 176.8 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | T2223 V2226 Q2278 V2279 T2280 H2285 L2286 | T2223-T2282 HydrophobicContact CG2-CG2 4.22Å; T2223-T2282 PolarHBondContact OG1-OG1 3.34Å; V2226-T2282 HydrophobicContact CB-CG2 3.96Å; V2226-T2282 HydrophobicContact CG1-CG2 3.93Å; V2226-T2282 HydrophobicContact CG2-CG2 4.46Å; Q2278-T2282 VanDerWaalsContact O-CB 3.31Å; Q2278-T2282 WeakPolarHBondContact O-CB 3.38Å; Q2278-T2282 PolarHBondContact O-N 3.35Å; Q2278-T2282 PolarHBondContact O-OG1 3.02Å; V2279-T2282 PolarHBondContact O-N 3.12Å; T2280-T2282 PolarHBondContact O-N 3.15Å; T2282-H2285 PolarHBondContact O-N 3.05Å; T2282-L2286 WeakPolarHBondContact O-CG 3.38Å; T2282-L2286 PolarHBondContact O-N 3.08Å; T2282-L2286 VanDerWaalsContact O-N 3.17Å |
| 2283 | W | 94.5 | Very high | 77.6 | Confident | 2.2 Ų | 2.2 | 53.8 Ų | 53.8 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 179.5 | 178.6 | 80.2 | 0 | 0 | 0 | 112.6 | V2279 T2280 H2281 H2285 L2286 K2376 W2377 F2382 V2396 Y2399 L2400 F2414 | V2279-W2283 PolarHBondContact O-N 3.03Å; V2279-W2283 VanDerWaalsContact O-N 3.08Å; T2280-W2283 PolarHBondContact O-N 3.15Å; H2281-W2283 VanDerWaalsContact C-N 3.32Å; H2281-W2283 PolarHBondContact O-N 2.98Å; W2283-H2285 VanDerWaalsContact C-N 3.29Å; W2283-H2285 PolarHBondContact O-N 3.2Å; W2283-L2286 WeakPolarHBondContact O-CB 3.42Å; W2283-L2286 PolarHBondContact O-N 3.21Å; W2283-K2376 PolarHBondContact NE1-O 3.24Å; W2283-K2376 WeakPolarHBondContact O-CE 3.31Å; W2283-W2377 HydrophobicContact CH2-CZ3 4.48Å; W2283-W2377 HydrophobicContact CZ2-CZ3 4.4Å; W2283-F2382 AromaticContact CD1-CD2 3.86Å; W2283-F2382 AromaticContact CD2-CD2 3.98Å; W2283-F2382 HydrophobicContact CD2-CD2 3.99Å; W2283-F2382 AromaticContact CD2-CE2 3.5Å; W2283-F2382 HydrophobicContact CD2-CE2 3.5Å; W2283-F2382 VanDerWaalsContact CD2-CE2 3.47Å; W2283-F2382 HydrophobicContact CD2-CZ 4.45Å; W2283-F2382 AromaticContact CE2-CD2 3.63Å; W2283-F2382 AromaticContact CE2-CE2 3.49Å; W2283-F2382 VanDerWaalsContact CE2-CE2 3.45Å; W2283-F2382 AromaticContact CE3-CE2 3.87Å; W2283-F2382 HydrophobicContact CE3-CE2 3.87Å; W2283-F2382 HydrophobicContact CE3-CZ 4.45Å; W2283-F2382 HydrophobicContact CG-CD2 4.14Å; W2283-F2382 AromaticContact CG-CE2 3.92Å; W2283-F2382 HydrophobicContact CG-CE2 3.92Å; W2283-F2382 HydrophobicContact CH2-CE2 4.19Å; W2283-F2382 HydrophobicContact CH2-CZ 4.36Å; W2283-F2382 HydrophobicContact CZ2-CD2 4.11Å; W2283-F2382 AromaticContact CZ2-CE2 3.82Å; W2283-F2382 HydrophobicContact CZ2-CE2 3.86Å; W2283-F2382 HydrophobicContact CZ2-CZ 4.36Å; W2283-F2382 HydrophobicContact CZ3-CE2 4.2Å; W2283-F2382 HydrophobicContact CZ3-CZ 4.44Å; W2283-F2382 AromaticContact NE1-CD2 3.54Å; W2283-F2382 AromaticContact NE1-CE2 3.87Å; W2283-V2396 HydrophobicContact CE3-CG2 4.26Å; W2283-V2396 HydrophobicContact CH2-CG1 4.33Å; W2283-V2396 HydrophobicContact CZ3-CB 4.48Å; W2283-V2396 HydrophobicContact CZ3-CG1 4.02Å; W2283-V2396 HydrophobicContact CZ3-CG2 4.03Å; W2283-Y2399 HydrophobicContact CH2-CD1 4.21Å; W2283-Y2399 HydrophobicContact CH2-CE1 4.32Å; W2283-Y2399 AromaticContact CZ3-CD1 3.89Å; W2283-Y2399 HydrophobicContact CZ3-CD1 3.89Å; W2283-Y2399 HydrophobicContact CZ3-CE1 4.31Å; W2283-L2400 HydrophobicContact CH2-CD1 4.47Å; W2283-L2400 HydrophobicContact CH2-CD2 3.9Å; W2283-L2400 HydrophobicContact CH2-CG 4.18Å; W2283-F2414 HydrophobicContact CH2-CE1 4.09Å; W2283-F2414 HydrophobicContact CH2-CZ 4.24Å; W2283-F2414 AromaticContact CZ2-CE1 3.79Å; W2283-F2414 HydrophobicContact CZ2-CE1 3.79Å; W2283-F2414 HydrophobicContact CZ2-CE2 4.26Å; W2283-F2414 AromaticContact CZ2-CZ 3.55Å; W2283-F2414 HydrophobicContact CZ2-CZ 3.55Å |
| 2284 | I | 92.6 | Very high | 75.2 | Confident | 32.2 Ų | 32.2 | 55.9 Ų | 55.9 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.5 | -70.2 | 172.1 | 0 | 0 | 0 | 111.2 | T2280 H2281 L2286 K2376 Q2395 Y2399 | T2280-I2284 HydrophobicContact CG2-CD1 3.88Å; T2280-I2284 VanDerWaalsContact O-CG1 3.31Å; T2280-I2284 WeakPolarHBondContact O-CG1 3.33Å; T2280-I2284 PolarHBondContact O-N 3.18Å; H2281-I2284 PolarHBondContact O-N 3.11Å; I2284-L2286 VanDerWaalsContact C-N 3.34Å; I2284-L2286 PolarHBondContact O-N 2.92Å; I2284-K2376 PolarHBondContact O-NZ 3.08Å; I2284-Q2395 HydrophobicContact CD1-CB 4.17Å; I2284-Y2399 HydrophobicContact CG1-CD1 4.42Å; I2284-Y2399 HydrophobicContact CG1-CG 4.28Å; I2284-Y2399 HydrophobicContact CG2-CD2 3.82Å; I2284-Y2399 HydrophobicContact CG2-CE2 4.17Å; I2284-Y2399 HydrophobicContact CG2-CG 4.14Å |
| 2285 | H | 90.3 | Very high | 72.3 | Confident | 129.8 Ų | 129.8 | 56.6 Ų | 56.6 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 2.1 | -178.4 | -77.5 | -81.5 | 0 | 0 | 0 | 115 | H2281 T2282 W2283 | H2281-H2285 AromaticContact CD2-CD2 3.6Å; H2281-H2285 AromaticContact CD2-NE2 3.71Å; H2281-H2285 AromaticContact CE1-CD2 3.31Å; H2281-H2285 PolarHBondContact CE1-CD2 3.24Å; H2281-H2285 AromaticContact CE1-NE2 3.67Å; H2281-H2285 AromaticContact CG-CD2 3.81Å; H2281-H2285 AromaticContact ND1-CD2 3.64Å; H2281-H2285 AromaticContact NE2-CD2 3.32Å; H2281-H2285 PolarHBondContact NE2-CD2 3.19Å; H2281-H2285 VanDerWaalsContact NE2-CD2 3.31Å; H2281-H2285 AromaticContact NE2-NE2 3.24Å; H2281-H2285 PolarHBondContact NE2-NE2 3.1Å; H2281-H2285 VanDerWaalsContact NE2-NE2 3.2Å; H2281-H2285 WeakPolarHBondContact O-CB 3.02Å; H2281-H2285 PolarHBondContact O-CD2 3.28Å; H2281-H2285 VanDerWaalsContact O-CD2 3.28Å; H2281-H2285 PolarHBondContact O-N 3.15Å; T2282-H2285 PolarHBondContact O-N 3.05Å; W2283-H2285 VanDerWaalsContact C-N 3.29Å; W2283-H2285 PolarHBondContact O-N 3.2Å |
| 2286 | L | 89.7 | Confident | 69.4 | Low | 16 Ų | 16 | 60.4 Ų | 60.4 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -65 | 144.3 | 168.8 | -69.7 | 172.5 | 0 | 0 | 0 | 110.6 | R2227 L2230 T2282 W2283 I2284 G2288 K2376 | R2227-L2286 HydrophobicContact CG-CD2 3.59Å; L2230-L2286 HydrophobicContact CD1-CD1 3.37Å; L2230-L2286 VanDerWaalsContact CD1-CD1 3.45Å; T2282-L2286 WeakPolarHBondContact O-CG 3.38Å; T2282-L2286 PolarHBondContact O-N 3.08Å; T2282-L2286 VanDerWaalsContact O-N 3.17Å; W2283-L2286 WeakPolarHBondContact O-CB 3.42Å; W2283-L2286 PolarHBondContact O-N 3.21Å; I2284-L2286 VanDerWaalsContact C-N 3.34Å; I2284-L2286 PolarHBondContact O-N 2.92Å; L2286-G2288 PolarHBondContact O-N 2.93Å; L2286-G2288 VanDerWaalsContact O-N 3.14Å; L2286-K2376 HydrophobicContact CB-CB 4.07Å; L2286-K2376 HydrophobicContact CB-CD 4.24Å; L2286-K2376 HydrophobicContact CB-CG 4.1Å; L2286-K2376 WeakPolarHBondContact O-CD 3.37Å; L2286-K2376 PolarHBondContact O-NZ 3.28Å |
| 2287 | D | 82.2 | Confident | 66.5 | Low | 122.2 Ų | 122.2 | 66.9 Ų | 66.9 | 65% | 0.653 | 44% | 0.437 | S | S | * | . | trans | -63.4 | 115.5 | 174.6 | -175.6 | 5.1 | 0 | 0 | 0 | 109.9 | G2289 S2374 | D2287-G2289 VanDerWaalsContact C-N 3.32Å; D2287-G2289 PolarHBondContact O-N 3.5Å; D2287-G2289 PolarHBondContact OD1-N 3.19Å; D2287-S2374 PolarHBondContact O-OG 3.18Å | ||
| 2288 | G | 71.9 | Confident | 63.5 | Low | 13.6 Ų | 13.6 | 67.5 Ų | 67.5 | 14% | 0.14 | 45% | 0.451 | C | S | . | . | trans | -80.7 | -10.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | L2286 S2374 W2377 H2408 | L2286-G2288 PolarHBondContact O-N 2.93Å; L2286-G2288 VanDerWaalsContact O-N 3.14Å; G2288-S2374 WeakPolarHBondContact O-CB 3.43Å; G2288-S2374 PolarHBondContact O-OG 3Å; G2288-W2377 PolarHBondContact O-NE1 3.2Å; G2288-H2408 PolarHBondContact O-NE2 3.07Å; G2288-H2408 VanDerWaalsContact O-NE2 3.16Å | ||
| 2289 | G | 68 | Low | 60.5 | Low | 26 Ų | 26 | 72.2 Ų | 72.2 | 27% | 0.268 | 48% | 0.484 | S | S | . | . | trans | 77.3 | 112.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D2287 V2291 H2408 | D2287-G2289 VanDerWaalsContact C-N 3.32Å; D2287-G2289 PolarHBondContact O-N 3.5Å; D2287-G2289 PolarHBondContact OD1-N 3.19Å; G2289-V2291 PolarHBondContact O-N 3.21Å; G2289-H2408 PolarHBondContact O-NE2 3.08Å; G2289-H2408 VanDerWaalsContact O-NE2 3.12Å | ||
| 2290 | N | 53.6 | Low | 57.2 | Low | 147.4 Ų | 147.4 | 75.3 Ų | 75.3 | 79% | 0.788 | 52% | 0.516 | S | S | * | . | trans | -75.6 | 125.8 | 175.7 | -85.6 | 21.2 | 0 | 0 | 0 | 111.2 | S2292 | N2290-S2292 VanDerWaalsContact C-N 3.26Å; N2290-S2292 PolarHBondContact O-N 2.99Å | ||
| 2291 | V | 49.6 | Very low | 54 | Low | 96.8 Ų | 96.8 | 81.5 Ų | 81.5 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | trans | -73.5 | 84.7 | 161.4 | -173.7 | 0 | 0 | 0 | 0 | 107.5 | G2289 G2293 L2372 P2409 | G2289-V2291 PolarHBondContact O-N 3.21Å; V2291-G2293 VanDerWaalsContact C-N 3.29Å; V2291-G2293 PolarHBondContact O-N 3.21Å; V2291-G2293 VanDerWaalsContact O-N 3.11Å; V2291-L2372 HydrophobicContact CG2-CD2 4.1Å; V2291-P2409 HydrophobicContact CB-CG 4.32Å; V2291-P2409 HydrophobicContact CG1-CG 4.49Å; V2291-P2409 HydrophobicContact CG2-CG 4.3Å | ||
| 2292 | S | 33.3 | Very low | 50.7 | Low | 104.8 Ų | 104.8 | 83.5 Ų | 83.5 | 73% | 0.733 | 57% | 0.572 | S | S | * | * | trans | -63.6 | 104 | 173.4 | -10.5 | 0 | 0 | 0 | 0 | 108.8 | N2290 G2294 | N2290-S2292 VanDerWaalsContact C-N 3.26Å; N2290-S2292 PolarHBondContact O-N 2.99Å; S2292-G2294 PolarHBondContact O-N 2.99Å; S2292-G2294 VanDerWaalsContact O-N 3.08Å | ||
| 2293 | G | 28.1 | Very low | 47.3 | Very low | 75.8 Ų | 75.8 | 89.1 Ų | 89.1 | 78% | 0.781 | 61% | 0.607 | S | S | * | * | trans | -71.1 | 106.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V2291 G2295 | V2291-G2293 VanDerWaalsContact C-N 3.29Å; V2291-G2293 PolarHBondContact O-N 3.21Å; V2291-G2293 VanDerWaalsContact O-N 3.11Å; G2293-G2295 PolarHBondContact O-N 3.16Å | ||
| 2294 | G | 25.7 | Very low | 43.9 | Very low | 79 Ų | 79 | 97 Ų | 97 | 81% | 0.814 | 65% | 0.648 | S | S | * | * | trans | -79.3 | 125.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S2292 G2296 | S2292-G2294 PolarHBondContact O-N 2.99Å; S2292-G2294 VanDerWaalsContact O-N 3.08Å; G2294-G2296 PolarHBondContact O-N 2.8Å | ||
| 2295 | G | 23.5 | Very low | 40.4 | Very low | 76 Ų | 76 | 100.8 Ų | 100.8 | 78% | 0.784 | 68% | 0.678 | S | S | * | * | trans | 40 | 108 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G2293 V2297 | G2293-G2295 PolarHBondContact O-N 3.16Å; G2295-V2297 PolarHBondContact O-N 3.31Å; G2295-V2297 VanDerWaalsContact O-N 3.12Å | ||
| 2296 | G | 23.7 | Very low | 37.2 | Very low | 78.8 Ų | 78.8 | 100 Ų | 100 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -10.9 | 97.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G2294 N2298 | G2294-G2296 PolarHBondContact O-N 2.8Å; G2296-N2298 PolarHBondContact O-N 3.41Å | ||
| 2297 | V | 25.6 | Very low | 34 | Very low | 139 Ų | 139 | 104.9 Ų | 104.9 | 84% | 0.842 | 72% | 0.722 | S | S | * | * | trans | -101.5 | 114 | 152.2 | -178.5 | 0 | 0 | 0 | 0 | 106.8 | G2295 P2299 | G2295-V2297 PolarHBondContact O-N 3.31Å; G2295-V2297 VanDerWaalsContact O-N 3.12Å; V2297-P2299 VanDerWaalsContact O-CD 3.23Å; V2297-P2299 WeakPolarHBondContact O-CD 3.31Å | ||
| 2298 | N | 23.3 | Very low | 31.2 | Very low | 153.4 Ų | 153.4 | 104.2 Ų | 104.2 | 82% | 0.82 | 73% | 0.727 | S | S | * | * | trans | -50.7 | 126.3 | 175 | -84.7 | -47 | 0 | 0 | 0 | 110.8 | G2296 G2300 | G2296-N2298 PolarHBondContact O-N 3.41Å; N2298-G2300 VanDerWaalsContact C-N 3.29Å; N2298-G2300 PolarHBondContact O-N 3.1Å | ||
| 2299 | P | 26 | Very low | 28.9 | Very low | 126.2 Ų | 126.2 | 107.1 Ų | 107.1 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | trans | -88.9 | 102.7 | 158.7 | 28.1 | -20.3 | 0 | 0 | 0 | 108.7 | V2297 V2301 | V2297-P2299 VanDerWaalsContact O-CD 3.23Å; V2297-P2299 WeakPolarHBondContact O-CD 3.31Å; P2299-V2301 PolarHBondContact O-N 3Å; P2299-V2301 VanDerWaalsContact O-N 3.09Å | ||
| 2300 | G | 22.7 | Very low | 26.8 | Very low | 66 Ų | 66 | 113.6 Ų | 113.6 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | -90.9 | 88.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N2298 | N2298-G2300 VanDerWaalsContact C-N 3.29Å; N2298-G2300 PolarHBondContact O-N 3.1Å | ||
| 2301 | V | 24.3 | Very low | 25.4 | Very low | 130.2 Ų | 130.2 | 111.4 Ų | 111.4 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | trans | -118.8 | 102.3 | 151 | -173.5 | 0 | 0 | 0 | 0 | 111 | P2299 T2303 | P2299-V2301 PolarHBondContact O-N 3Å; P2299-V2301 VanDerWaalsContact O-N 3.09Å; V2301-T2303 PolarHBondContact O-N 3.16Å | ||
| 2302 | T | 22.6 | Very low | 24.3 | Very low | 129 Ų | 129 | 111.6 Ų | 111.6 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -69.1 | 104 | 156.1 | 32.3 | 0 | 0 | 0 | 0 | 112 | L2304 | T2302-L2304 PolarHBondContact O-N 3.17Å; T2302-L2304 VanDerWaalsContact O-N 3.1Å | ||
| 2303 | T | 21.5 | Very low | 23.9 | Very low | 126.8 Ų | 126.8 | 114 Ų | 114 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | -53.7 | 106.8 | 159.9 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | V2301 S2305 | V2301-T2303 PolarHBondContact O-N 3.16Å; T2303-S2305 PolarHBondContact O-N 3.14Å; T2303-S2305 VanDerWaalsContact O-N 3.13Å | ||
| 2304 | L | 22.9 | Very low | 23.7 | Very low | 167.2 Ų | 167.2 | 117.5 Ų | 117.5 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -87.5 | 101 | 157.7 | -78.9 | 166.8 | 0 | 0 | 0 | 107.7 | T2302 S2306 | T2302-L2304 PolarHBondContact O-N 3.17Å; T2302-L2304 VanDerWaalsContact O-N 3.1Å; L2304-S2306 VanDerWaalsContact C-N 3.25Å; L2304-S2306 PolarHBondContact O-N 2.98Å | ||
| 2305 | S | 20.8 | Very low | 23.8 | Very low | 113.8 Ų | 113.8 | 121.4 Ų | 121.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -61 | 108.1 | 170.8 | 30.8 | 0 | 0 | 0 | 0 | 111.1 | T2303 S2307 | T2303-S2305 PolarHBondContact O-N 3.14Å; T2303-S2305 VanDerWaalsContact O-N 3.13Å; S2305-S2307 PolarHBondContact O-N 2.86Å | ||
| 2306 | S | 22.7 | Very low | 23.9 | Very low | 111.4 Ų | 111.4 | 125.5 Ų | 125.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -119.6 | 106.3 | 153.5 | 53.6 | 0 | 0 | 0 | 0 | 107.4 | L2304 S2308 | L2304-S2306 VanDerWaalsContact C-N 3.25Å; L2304-S2306 PolarHBondContact O-N 2.98Å; S2306-S2308 VanDerWaalsContact C-N 3.26Å; S2306-S2308 PolarHBondContact O-N 3.19Å | ||
| 2307 | S | 22.3 | Very low | 23.9 | Very low | 119.2 Ų | 119.2 | 129.6 Ų | 129.6 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -77 | 115.4 | 171.3 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | S2305 | S2305-S2307 PolarHBondContact O-N 2.86Š| ||
| 2308 | S | 23.6 | Very low | 23.9 | Very low | 108.2 Ų | 108.2 | 131.6 Ų | 131.6 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | -146.6 | 113.2 | 150.9 | 101.5 | 0 | 0 | 0 | 0 | 110 | S2306 N2310 | S2306-S2308 VanDerWaalsContact C-N 3.26Å; S2306-S2308 PolarHBondContact O-N 3.19Å; S2308-N2310 PolarHBondContact O-N 3.09Å | ||
| 2309 | G | 23.8 | Very low | 24 | Very low | 74.4 Ų | 74.4 | 132.5 Ų | 132.5 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -30 | 103.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2311 | G2309-A2311 PolarHBondContact O-N 3.23Š| ||
| 2310 | N | 24.2 | Very low | 23.9 | Very low | 161.4 Ų | 161.4 | 134.3 Ų | 134.3 | 86% | 0.863 | 81% | 0.81 | S | S | * | * | trans | -82 | 114.3 | 142.3 | -76.3 | -12.3 | 0 | 0 | 0 | 111 | S2308 | S2308-N2310 PolarHBondContact O-N 3.09Š| ||
| 2311 | A | 24.2 | Very low | 23.9 | Very low | 102.8 Ų | 102.8 | 138.5 Ų | 138.5 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -127.3 | 102.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112 | G2309 | G2309-A2311 PolarHBondContact O-N 3.23Š| ||
| 2312 | A | 25.7 | Very low | 24 | Very low | 99.8 Ų | 99.8 | 140.2 Ų | 140.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -177.6 | 88.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2313 | D | 25.5 | Very low | 23.9 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | 169.8 | 89.3 | 145.2 | -137.6 | 12.1 | 0 | 0 | 0 | 112.1 | L2315 | D2313-L2315 PolarHBondContact O-N 3.25Š| ||
| 2314 | D | 23.8 | Very low | 24.2 | Very low | 150.4 Ų | 150.4 | 142.8 Ų | 142.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -84.2 | 101.4 | 165.5 | -89.7 | -37.9 | 0 | 0 | 0 | 112.3 | ||||
| 2315 | L | 26.6 | Very low | 24.2 | Very low | 159.6 Ų | 159.6 | 139.1 Ų | 139.1 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 79.4 | 161.6 | -90.5 | 166.4 | 0 | 0 | 0 | 111.8 | D2313 N2317 | D2313-L2315 PolarHBondContact O-N 3.25Å; L2315-N2317 PolarHBondContact O-N 2.83Å | ||
| 2316 | Q | 25.2 | Very low | 24.3 | Very low | 163.8 Ų | 163.8 | 139.2 Ų | 139.2 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | -147.4 | 74.1 | 155.6 | -105.5 | 150.1 | 6.9 | 0 | 0 | 115.1 | Q2318 | Q2316-Q2318 PolarHBondContact O-N 3.08Š| ||
| 2317 | N | 25.4 | Very low | 24.3 | Very low | 163.2 Ų | 163.2 | 140.3 Ų | 140.3 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | trans | -125.5 | 86.5 | 159.4 | -78.2 | -35.9 | 0 | 0 | 0 | 110 | L2315 E2319 | L2315-N2317 PolarHBondContact O-N 2.83Å; N2317-E2319 PolarHBondContact O-N 3.17Å | ||
| 2318 | Q | 24.1 | Very low | 24.4 | Very low | 181.8 Ų | 181.8 | 143.5 Ų | 143.5 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -94.5 | 93.6 | 173.2 | -153.2 | 171.6 | 43.7 | 0 | 0 | 109.5 | Q2316 L2320 | Q2316-Q2318 PolarHBondContact O-N 3.08Å; Q2318-L2320 PolarHBondContact O-N 2.91Å | ||
| 2319 | E | 25 | Very low | 24.4 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | -68.7 | 129.4 | 163.3 | -79.2 | 178.4 | 140.5 | 0 | 0 | 109.3 | R2277 N2317 D2321 | R2277-E2319 IonicContact NH2-OE1 3.25Å; R2277-E2319 PolarHBondContact NH2-OE1 3.35Å; N2317-E2319 PolarHBondContact O-N 3.17Å; E2319-D2321 PolarHBondContact O-N 2.83Å; E2319-D2321 VanDerWaalsContact O-N 3.09Å | ||
| 2320 | L | 25.5 | Very low | 24.3 | Very low | 162.6 Ų | 162.6 | 150.9 Ų | 150.9 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -75.7 | 96 | 172.8 | -75.1 | 160.6 | 0 | 0 | 0 | 111.5 | Q2318 L2322 | Q2318-L2320 PolarHBondContact O-N 2.91Å; L2320-L2322 PolarHBondContact O-N 3.16Å | ||
| 2321 | D | 22.4 | Very low | 24.3 | Very low | 154.6 Ų | 154.6 | 149.5 Ų | 149.5 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | trans | -83.6 | 112.7 | 160.6 | -86.6 | -37.1 | 0 | 0 | 0 | 110.6 | E2319 N2323 | E2319-D2321 PolarHBondContact O-N 2.83Å; E2319-D2321 VanDerWaalsContact O-N 3.09Å; D2321-N2323 PolarHBondContact O-N 3.01Å | ||
| 2322 | L | 25.5 | Very low | 24.3 | Very low | 165.2 Ų | 165.2 | 150 Ų | 150 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | -103.4 | 102.8 | 168.5 | -77.4 | 170.8 | 0 | 0 | 0 | 110.2 | L2320 I2324 | L2320-L2322 PolarHBondContact O-N 3.16Å; L2322-I2324 PolarHBondContact O-N 2.99Å; L2322-I2324 VanDerWaalsContact O-N 3.11Å | ||
| 2323 | N | 21.9 | Very low | 24.3 | Very low | 157.4 Ų | 157.4 | 150.4 Ų | 150.4 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -68.5 | 121.9 | 170.1 | -100.2 | -27.3 | 0 | 0 | 0 | 110.7 | D2321 A2325 | D2321-N2323 PolarHBondContact O-N 3.01Å; N2323-A2325 PolarHBondContact O-N 3.31Å | ||
| 2324 | I | 25.8 | Very low | 24.2 | Very low | 154.2 Ų | 154.2 | 150.5 Ų | 150.5 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -118.9 | 112.8 | 159.8 | -61 | 174 | 0 | 0 | 0 | 109.5 | L2322 S2326 | L2322-I2324 PolarHBondContact O-N 2.99Å; L2322-I2324 VanDerWaalsContact O-N 3.11Å; I2324-S2326 PolarHBondContact O-N 3.22Å; I2324-S2326 PolarHBondContact O-OG 3.45Å | ||
| 2325 | A | 23 | Very low | 24.3 | Very low | 89.8 Ų | 89.8 | 150.5 Ų | 150.5 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | -64.3 | 123.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N2323 T2327 | N2323-A2325 PolarHBondContact O-N 3.31Å; A2325-T2327 PolarHBondContact O-N 3.25Å | ||
| 2326 | S | 23.2 | Very low | 24.3 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -71 | 122.1 | 161.4 | -38.7 | 0 | 0 | 0 | 0 | 112.3 | I2324 E2328 | I2324-S2326 PolarHBondContact O-N 3.22Å; I2324-S2326 PolarHBondContact O-OG 3.45Å; S2326-E2328 PolarHBondContact O-N 3Å | ||
| 2327 | T | 24 | Very low | 24.2 | Very low | 134.6 Ų | 134.6 | 150.5 Ų | 150.5 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -103.4 | 115.8 | 163.7 | 40.4 | 0 | 0 | 0 | 0 | 110.7 | A2325 T2329 | A2325-T2327 PolarHBondContact O-N 3.25Å; T2327-T2329 PolarHBondContact O-N 2.66Å | ||
| 2328 | E | 22.9 | Very low | 24.3 | Very low | 185.8 Ų | 185.8 | 149 Ų | 149 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -42.7 | 122.8 | 165.3 | -62.8 | 174.8 | 145.2 | 0 | 0 | 114 | S2326 | S2326-E2328 PolarHBondContact O-N 3Š| ||
| 2329 | T | 24.1 | Very low | 24.2 | Very low | 137.6 Ų | 137.6 | 147.2 Ų | 147.2 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | trans | -142.6 | 108.9 | 144.3 | 24.6 | 0 | 0 | 0 | 0 | 112.7 | T2327 T2331 | T2327-T2329 PolarHBondContact O-N 2.66Å; T2329-T2331 PolarHBondContact O-N 2.73Å | ||
| 2330 | K | 21.9 | Very low | 24.3 | Very low | 201.2 Ų | 201.2 | 144.9 Ų | 144.9 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | trans | -48.3 | 124.2 | 155.4 | -97.2 | 170.3 | 173.6 | 171.8 | 0 | 114 | ||||
| 2331 | T | 23.8 | Very low | 24.2 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | -112.8 | 124.8 | 144.3 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | T2329 | T2329-T2331 PolarHBondContact O-N 2.73Š| ||
| 2332 | S | 24.4 | Very low | 24.3 | Very low | 111.4 Ų | 111.4 | 140.2 Ų | 140.2 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -132.4 | 127.2 | 155.6 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2333 | S | 25.9 | Very low | 24.3 | Very low | 109.6 Ų | 109.6 | 138.5 Ų | 138.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | 137.4 | 125.8 | 126.4 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2334 | L | 24.6 | Very low | 24.3 | Very low | 156.8 Ų | 156.8 | 135.8 Ų | 135.8 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | trans | 60.1 | 109.5 | 143.4 | -129.7 | 84.6 | 0 | 0 | 0 | 114.9 | ||||
| 2335 | D | 24.4 | Very low | 24.1 | Very low | 151.2 Ų | 151.2 | 133.8 Ų | 133.8 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | trans | 105.6 | 93.5 | 133.2 | -82.2 | -23.2 | 0 | 0 | 0 | 114.7 | M2337 | D2335-M2337 PolarHBondContact O-N 2.82Š| ||
| 2336 | D | 26.4 | Very low | 24 | Very low | 162.4 Ų | 162.4 | 140.5 Ų | 140.5 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -156 | 127.1 | 139.7 | -134.2 | 2.4 | 0 | 0 | 0 | 113.1 | ||||
| 2337 | M | 24.3 | Very low | 24 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -136.8 | 116.5 | -177.5 | -170.3 | 177.3 | 48.4 | 0 | 0 | 111.5 | D2335 | D2335-M2337 PolarHBondContact O-N 2.82Š| ||
| 2338 | V | 27.5 | Very low | 24 | Very low | 132.2 Ų | 132.2 | 141.1 Ų | 141.1 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | -177.7 | 101 | 156.7 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2339 | D | 22.6 | Very low | 23.9 | Very low | 143.6 Ų | 143.6 | 135.5 Ų | 135.5 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | trans | -66.6 | 122.3 | 161.7 | -90.4 | -30.8 | 0 | 0 | 0 | 114 | ||||
| 2340 | T | 25.9 | Very low | 23.9 | Very low | 124.6 Ų | 124.6 | 132.9 Ų | 132.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 136.7 | 92.4 | 143.9 | -39.5 | 0 | 0 | 0 | 0 | 113.9 | A2342 | T2340-A2342 HydrophobicContact CG2-CB 4.44Å; T2340-A2342 PolarHBondContact O-N 3.22Å | ||
| 2341 | T | 24.1 | Very low | 23.9 | Very low | 126.8 Ų | 126.8 | 126 Ų | 126 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -30.8 | 93.4 | 146.5 | 41.7 | 0 | 0 | 0 | 0 | 113.6 | T2343 | T2341-T2343 PolarHBondContact O-N 3.15Å; T2341-T2343 VanDerWaalsContact O-N 3.09Å | ||
| 2342 | A | 24.5 | Very low | 23.9 | Very low | 91.6 Ų | 91.6 | 124.7 Ų | 124.7 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -110.5 | 89.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T2340 S2344 | T2340-A2342 HydrophobicContact CG2-CB 4.44Å; T2340-A2342 PolarHBondContact O-N 3.22Å; A2342-S2344 PolarHBondContact O-N 3.13Å | ||
| 2343 | T | 24.3 | Very low | 23.8 | Very low | 129.2 Ų | 129.2 | 130.9 Ų | 130.9 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -76.5 | 101.6 | 162.8 | -23 | 0 | 0 | 0 | 0 | 109.2 | T2341 T2345 | T2341-T2343 PolarHBondContact O-N 3.15Å; T2341-T2343 VanDerWaalsContact O-N 3.09Å; T2343-T2345 VanDerWaalsContact C-N 3.34Å; T2343-T2345 PolarHBondContact O-N 3.39Å; T2343-T2345 PolarHBondContact O-OG1 3.37Å | ||
| 2344 | S | 22.1 | Very low | 23.7 | Very low | 101.2 Ų | 101.2 | 134.6 Ų | 134.6 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -86.6 | 85.2 | 172.2 | 30.3 | 0 | 0 | 0 | 0 | 109.4 | A2342 W2346 | A2342-S2344 PolarHBondContact O-N 3.13Å; S2344-W2346 PolarHBondContact O-N 3.01Å | ||
| 2345 | T | 22.9 | Very low | 23.5 | Very low | 111.2 Ų | 111.2 | 135.1 Ų | 135.1 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -71.2 | 107.5 | 166.9 | -47.8 | 0 | 0 | 0 | 0 | 107.9 | T2343 T2347 | T2343-T2345 VanDerWaalsContact C-N 3.34Å; T2343-T2345 PolarHBondContact O-N 3.39Å; T2343-T2345 PolarHBondContact O-OG1 3.37Å; T2345-T2347 HydrophobicContact CG2-CG2 4.34Å; T2345-T2347 PolarHBondContact O-N 3.12Å; T2345-T2347 VanDerWaalsContact O-N 3.17Å | ||
| 2346 | W | 20.1 | Very low | 23.5 | Very low | 231.2 Ų | 231.2 | 137.3 Ų | 137.3 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | -75.5 | 94.5 | 171 | -79.7 | 50.8 | 0 | 0 | 0 | 108.6 | S2344 V2348 | S2344-W2346 PolarHBondContact O-N 3.01Å; W2346-V2348 PolarHBondContact O-N 3.29Å | ||
| 2347 | T | 22.9 | Very low | 23.4 | Very low | 124.4 Ų | 124.4 | 135.5 Ų | 135.5 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | -75.3 | 104.6 | 162.7 | 42.5 | 0 | 0 | 0 | 0 | 107.9 | T2345 G2349 | T2345-T2347 HydrophobicContact CG2-CG2 4.34Å; T2345-T2347 PolarHBondContact O-N 3.12Å; T2345-T2347 VanDerWaalsContact O-N 3.17Å; T2347-G2349 VanDerWaalsContact C-N 3.33Å; T2347-G2349 PolarHBondContact O-N 3.12Å | ||
| 2348 | V | 24 | Very low | 23.3 | Very low | 138.4 Ų | 138.4 | 136.2 Ų | 136.2 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 107.5 | 165 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | W2346 G2350 | W2346-V2348 PolarHBondContact O-N 3.29Å; V2348-G2350 PolarHBondContact O-N 3.09Å; V2348-G2350 VanDerWaalsContact O-N 3.12Å | ||
| 2349 | G | 22.1 | Very low | 23.1 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -63.3 | 125.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T2347 G2351 | T2347-G2349 VanDerWaalsContact C-N 3.33Å; T2347-G2349 PolarHBondContact O-N 3.12Å; G2349-G2351 PolarHBondContact O-N 3.02Å | ||
| 2350 | G | 23 | Very low | 23.2 | Very low | 84.2 Ų | 84.2 | 138.2 Ų | 138.2 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -54.6 | 67.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V2348 S2352 | V2348-G2350 PolarHBondContact O-N 3.09Å; V2348-G2350 VanDerWaalsContact O-N 3.12Å; G2350-S2352 PolarHBondContact O-N 3.35Å | ||
| 2351 | G | 22.7 | Very low | 23.1 | Very low | 55.6 Ų | 55.6 | 140.1 Ų | 140.1 | 57% | 0.573 | 79% | 0.791 | S | S | * | * | trans | -100.4 | 93 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G2349 W2353 | G2349-G2351 PolarHBondContact O-N 3.02Å; G2351-W2353 PolarHBondContact O-N 2.95Å; G2351-W2353 VanDerWaalsContact O-N 3.07Å | ||
| 2352 | S | 22.9 | Very low | 23.3 | Very low | 105.2 Ų | 105.2 | 138.9 Ų | 138.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -51.6 | 83 | 171.9 | -170 | 0 | 0 | 0 | 0 | 113 | G2350 K2354 | G2350-S2352 PolarHBondContact O-N 3.35Å; S2352-K2354 VanDerWaalsContact C-N 3.33Å; S2352-K2354 PolarHBondContact O-N 3.36Å | ||
| 2353 | W | 22.5 | Very low | 23.2 | Very low | 243 Ų | 243 | 144.1 Ų | 144.1 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -85.4 | 62.8 | 176 | -63.9 | 14.1 | 0 | 0 | 0 | 110.8 | G2351 Q2355 | G2351-W2353 PolarHBondContact O-N 2.95Å; G2351-W2353 VanDerWaalsContact O-N 3.07Å; W2353-Q2355 PolarHBondContact O-N 3.17Å; W2353-Q2355 VanDerWaalsContact O-N 3.07Å | ||
| 2354 | K | 23.4 | Very low | 23.2 | Very low | 187.2 Ų | 187.2 | 145 Ų | 145 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -85.4 | 68.5 | 173.1 | -85.4 | -174.1 | 175.6 | -179.1 | 0 | 111.3 | S2352 F2356 | S2352-K2354 VanDerWaalsContact C-N 3.33Å; S2352-K2354 PolarHBondContact O-N 3.36Å; K2354-F2356 WeakPolarHBondContact O-CD2 3.32Å; K2354-F2356 PolarHBondContact O-N 3.18Å; K2354-F2356 VanDerWaalsContact O-N 3.15Å | ||
| 2355 | Q | 22 | Very low | 23.4 | Very low | 167.2 Ų | 167.2 | 146.1 Ų | 146.1 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 76 | 171.5 | -170.4 | 165.8 | -3.5 | 0 | 0 | 111.8 | W2353 T2357 | W2353-Q2355 PolarHBondContact O-N 3.17Å; W2353-Q2355 VanDerWaalsContact O-N 3.07Å; Q2355-T2357 VanDerWaalsContact C-N 3.31Å; Q2355-T2357 PolarHBondContact O-N 3.14Å; Q2355-T2357 PolarHBondContact O-OG1 2.96Å | ||
| 2356 | F | 22.6 | Very low | 23.4 | Very low | 196.4 Ų | 196.4 | 145.3 Ų | 145.3 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -88.9 | 81.6 | 166.8 | -86.1 | -80.9 | 0 | 0 | 0 | 109.6 | K2354 E2358 | K2354-F2356 WeakPolarHBondContact O-CD2 3.32Å; K2354-F2356 PolarHBondContact O-N 3.18Å; K2354-F2356 VanDerWaalsContact O-N 3.15Å; F2356-E2358 PolarHBondContact O-N 3.44Å | ||
| 2357 | T | 24 | Very low | 23.6 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -96.6 | 88.8 | 168.8 | 27.9 | 0 | 0 | 0 | 0 | 110.2 | Q2355 N2359 | Q2355-T2357 VanDerWaalsContact C-N 3.31Å; Q2355-T2357 PolarHBondContact O-N 3.14Å; Q2355-T2357 PolarHBondContact O-OG1 2.96Å; T2357-N2359 PolarHBondContact O-N 3.44Å | ||
| 2358 | E | 22.6 | Very low | 23.7 | Very low | 175.4 Ų | 175.4 | 140.3 Ų | 140.3 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | trans | -86.5 | 86.3 | 169.3 | -76.4 | 179 | 159.2 | 0 | 0 | 111.4 | F2356 N2360 | F2356-E2358 PolarHBondContact O-N 3.44Å; E2358-N2360 PolarHBondContact O-N 2.94Å | ||
| 2359 | N | 24.3 | Very low | 23.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -101.6 | 94.3 | 156.1 | -120.6 | 2 | 0 | 0 | 0 | 110 | T2357 N2361 | T2357-N2359 PolarHBondContact O-N 3.44Å; N2359-N2361 PolarHBondContact O-N 2.97Å | ||
| 2360 | N | 24.9 | Very low | 24.2 | Very low | 152.6 Ų | 152.6 | 142.6 Ų | 142.6 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -96.6 | 125.3 | 166.7 | -93.7 | -28.5 | 0 | 0 | 0 | 111.3 | E2358 S2362 | E2358-N2360 PolarHBondContact O-N 2.94Å; N2360-S2362 VanDerWaalsContact C-N 3.34Å; N2360-S2362 PolarHBondContact O-N 3.4Å | ||
| 2361 | N | 24.2 | Very low | 24.5 | Very low | 165.6 Ų | 165.6 | 149.3 Ų | 149.3 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | trans | -58.4 | 86 | 162.2 | -121.3 | 9.2 | 0 | 0 | 0 | 113.6 | N2359 | N2359-N2361 PolarHBondContact O-N 2.97Š| ||
| 2362 | S | 26.3 | Very low | 25.3 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -165.1 | 115.1 | 143.6 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | N2360 I2364 | N2360-S2362 VanDerWaalsContact C-N 3.34Å; N2360-S2362 PolarHBondContact O-N 3.4Å; S2362-I2364 PolarHBondContact O-N 3.14Å; S2362-I2364 VanDerWaalsContact O-N 3.11Å | ||
| 2363 | Q | 22.4 | Very low | 26.9 | Very low | 199.8 Ų | 199.8 | 151.5 Ų | 151.5 | 93% | 0.934 | 78% | 0.783 | S | S | * | * | trans | -60.6 | 112.1 | 173.5 | -70.9 | 165 | -47.6 | 0 | 0 | 110.5 | ||||
| 2364 | I | 25.2 | Very low | 29.5 | Very low | 148.2 Ų | 148.2 | 141.2 Ų | 141.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -134.8 | 122.1 | 157.9 | -56.2 | -180 | 0 | 0 | 0 | 106.9 | S2362 A2366 | S2362-I2364 PolarHBondContact O-N 3.14Å; S2362-I2364 VanDerWaalsContact O-N 3.11Å; I2364-A2366 PolarHBondContact O-N 3.47Å | ||
| 2365 | P | 26 | Very low | 32.5 | Very low | 124.4 Ų | 124.4 | 134.3 Ų | 134.3 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | -78.1 | 131.8 | -167.2 | 26 | -25.2 | 0 | 0 | 0 | 112.2 | G2367 | P2365-G2367 PolarHBondContact O-N 3.16Š| ||
| 2366 | A | 23.9 | Very low | 35.7 | Very low | 95.4 Ų | 95.4 | 126.5 Ų | 126.5 | 79% | 0.788 | 69% | 0.685 | S | S | * | * | trans | -64.4 | 103 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2364 H2368 | I2364-A2366 PolarHBondContact O-N 3.47Å; A2366-H2368 PolarHBondContact O-N 2.99Å; A2366-H2368 VanDerWaalsContact O-N 3.14Å; A2366-H2368 PolarHBondContact O-ND1 2.87Å | ||
| 2367 | G | 23.7 | Very low | 39 | Very low | 68.4 Ų | 68.4 | 118.3 Ų | 118.3 | 71% | 0.705 | 65% | 0.648 | S | S | * | * | trans | -84 | 118.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P2365 D2369 | P2365-G2367 PolarHBondContact O-N 3.16Å; G2367-D2369 VanDerWaalsContact C-N 3.29Å; G2367-D2369 PolarHBondContact O-N 3.19Å | ||
| 2368 | H | 25 | Very low | 42.2 | Very low | 180.4 Ų | 180.4 | 112.7 Ų | 112.7 | 84% | 0.835 | 61% | 0.614 | S | S | * | * | trans | -57.5 | 107.8 | 163.3 | -84.4 | 8.5 | 0 | 0 | 0 | 113 | A2366 N2370 | A2366-H2368 PolarHBondContact O-N 2.99Å; A2366-H2368 VanDerWaalsContact O-N 3.14Å; A2366-H2368 PolarHBondContact O-ND1 2.87Å; H2368-N2370 VanDerWaalsContact C-N 3.3Å; H2368-N2370 PolarHBondContact O-N 3.22Å | ||
| 2369 | D | 25.9 | Very low | 45.6 | Very low | 133 Ų | 133 | 106.4 Ų | 106.4 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | trans | -66.2 | 85.8 | 171.8 | -72.1 | -42.6 | 0 | 0 | 0 | 114.1 | G2367 R2371 | G2367-D2369 VanDerWaalsContact C-N 3.29Å; G2367-D2369 PolarHBondContact O-N 3.19Å; D2369-R2371 HydrophobicContact CB-CB 4.2Å; D2369-R2371 HydrophobicContact CB-CG 3.91Å; D2369-R2371 PolarHBondContact O-N 2.94Å; D2369-R2371 VanDerWaalsContact O-N 3.12Å; D2369-R2371 IonicContact OD1-CZ 3.25Å; D2369-R2371 IonicContact OD1-NE 3.21Å; D2369-R2371 PolarHBondContact OD1-NE 3.28Å; D2369-R2371 IonicContact OD1-NH2 3.62Å | ||
| 2370 | N | 30.7 | Very low | 48.8 | Very low | 122.4 Ų | 122.4 | 99.6 Ų | 99.6 | 66% | 0.655 | 55% | 0.546 | S | S | * | . | trans | -118.6 | 21.2 | 171.7 | -130.3 | 11.5 | 0 | 0 | 0 | 114.8 | H2368 L2372 V2373 S2449 | H2368-N2370 VanDerWaalsContact C-N 3.3Å; H2368-N2370 PolarHBondContact O-N 3.22Å; N2370-L2372 VanDerWaalsContact C-N 3.31Å; N2370-L2372 PolarHBondContact O-N 3.12Å; N2370-V2373 PolarHBondContact O-N 3.12Å; N2370-S2449 PolarHBondContact OD1-OG 3.02Å | ||
| 2371 | R | 29.4 | Very low | 52 | Low | 224.8 Ų | 224.8 | 92.4 Ų | 92.4 | 85% | 0.848 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3.1 | -168.9 | -124.8 | -178.4 | -175.7 | -165.9 | -1 | 116.3 | D2369 | D2369-R2371 HydrophobicContact CB-CB 4.2Å; D2369-R2371 HydrophobicContact CB-CG 3.91Å; D2369-R2371 PolarHBondContact O-N 2.94Å; D2369-R2371 VanDerWaalsContact O-N 3.12Å; D2369-R2371 IonicContact OD1-CZ 3.25Å; D2369-R2371 IonicContact OD1-NE 3.21Å; D2369-R2371 PolarHBondContact OD1-NE 3.28Å; D2369-R2371 IonicContact OD1-NH2 3.62Å |
| 2372 | L | 38.8 | Very low | 55.3 | Low | 125.4 Ų | 125.4 | 84.6 Ų | 84.6 | 66% | 0.657 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -4.7 | -176.9 | -85.5 | 164.7 | 0 | 0 | 0 | 115.4 | V2291 N2370 S2374 P2409 | V2291-L2372 HydrophobicContact CG2-CD2 4.1Å; N2370-L2372 VanDerWaalsContact C-N 3.31Å; N2370-L2372 PolarHBondContact O-N 3.12Å; L2372-S2374 PolarHBondContact O-N 3.27Å; L2372-P2409 HydrophobicContact CD2-CG 3.99Å |
| 2373 | V | 57.3 | Low | 58.5 | Low | 81.4 Ų | 81.4 | 79.8 Ų | 79.8 | 49% | 0.493 | 43% | 0.432 | S | S | . | . | trans | -109.1 | 73.6 | 178.1 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | N2370 V2375 S2447 | N2370-V2373 PolarHBondContact O-N 3.12Å; V2373-V2375 PolarHBondContact O-N 3.05Å; V2373-S2447 WeakPolarHBondContact CG2-O 3.41Å | ||
| 2374 | S | 77.5 | Confident | 61.7 | Low | 25.2 Ų | 25.2 | 71.5 Ų | 71.5 | 18% | 0.176 | 39% | 0.393 | C | S | . | . | trans | -57.4 | 134.6 | 169.1 | 152.8 | 0 | 0 | 0 | 0 | 109.2 | D2287 G2288 L2372 K2376 W2377 | D2287-S2374 PolarHBondContact O-OG 3.18Å; G2288-S2374 WeakPolarHBondContact O-CB 3.43Å; G2288-S2374 PolarHBondContact O-OG 3Å; L2372-S2374 PolarHBondContact O-N 3.27Å; S2374-K2376 PolarHBondContact O-N 3.17Å; S2374-K2376 VanDerWaalsContact O-N 3.08Å; S2374-K2376 WeakPolarHBondContact OG-CB 3.42Å; S2374-K2376 PolarHBondContact OG-N 2.98Å; S2374-K2376 VanDerWaalsContact OG-N 3.17Å; S2374-W2377 PolarHBondContact O-N 3.18Å; S2374-W2377 VanDerWaalsContact O-N 3.11Å; S2374-W2377 PolarHBondContact OG-NE1 2.79Å | ||
| 2375 | V | 84.7 | Confident | 64.9 | Low | 43.2 Ų | 43.2 | 64.5 Ų | 64.5 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -52.8 | -28.6 | 175.8 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | L2230 E2231 V2373 W2377 N2378 | L2230-V2375 VanDerWaalsContact C-CG1 3.47Å; L2230-V2375 HydrophobicContact CB-CG1 3.49Å; L2230-V2375 VanDerWaalsContact CB-CG1 3.47Å; E2231-V2375 HydrophobicContact CB-CG1 3.94Å; E2231-V2375 HydrophobicContact CB-CG2 4.25Å; E2231-V2375 HydrophobicContact CG-CG1 4.01Å; E2231-V2375 HydrophobicContact CG-CG2 4.21Å; V2373-V2375 PolarHBondContact O-N 3.05Å; V2375-W2377 VanDerWaalsContact C-N 3.28Å; V2375-W2377 PolarHBondContact O-N 3.33Å; V2375-N2378 VanDerWaalsContact O-CB 3.31Å; V2375-N2378 WeakPolarHBondContact O-CB 3.37Å; V2375-N2378 PolarHBondContact O-N 3.12Å |
| 2376 | K | 90.2 | Very high | 68 | Low | 4.4 Ų | 4.4 | 58.7 Ų | 58.7 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -55.2 | -40.4 | 177.7 | -174.4 | 179 | -162.4 | 154.9 | 0 | 113.4 | W2283 I2284 L2286 S2374 N2378 Y2399 | W2283-K2376 PolarHBondContact NE1-O 3.24Å; W2283-K2376 WeakPolarHBondContact O-CE 3.31Å; I2284-K2376 PolarHBondContact O-NZ 3.08Å; L2286-K2376 HydrophobicContact CB-CB 4.07Å; L2286-K2376 HydrophobicContact CB-CD 4.24Å; L2286-K2376 HydrophobicContact CB-CG 4.1Å; L2286-K2376 WeakPolarHBondContact O-CD 3.37Å; L2286-K2376 PolarHBondContact O-NZ 3.28Å; S2374-K2376 PolarHBondContact O-N 3.17Å; S2374-K2376 VanDerWaalsContact O-N 3.08Å; S2374-K2376 WeakPolarHBondContact OG-CB 3.42Å; S2374-K2376 PolarHBondContact OG-N 2.98Å; S2374-K2376 VanDerWaalsContact OG-N 3.17Å; K2376-N2378 VanDerWaalsContact C-N 3.28Å; K2376-N2378 PolarHBondContact O-N 3.09Å; K2376-Y2399 VanDerWaalsContact CE-OH 3.28Å; K2376-Y2399 WeakPolarHBondContact CE-OH 3.23Å; K2376-Y2399 VanDerWaalsContact NZ-CZ 3.3Å; K2376-Y2399 PolarHBondContact NZ-OH 3.16Å |
| 2377 | W | 91.8 | Very high | 71 | Confident | 22.4 Ų | 22.4 | 57.4 Ų | 57.4 | 9% | 0.085 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -89.9 | 19.6 | -173.2 | -52.8 | 120.1 | 0 | 0 | 0 | 113 | W2283 G2288 S2374 V2375 W2379 Y2399 L2400 E2403 H2408 A2411 F2414 | W2283-W2377 HydrophobicContact CH2-CZ3 4.48Å; W2283-W2377 HydrophobicContact CZ2-CZ3 4.4Å; G2288-W2377 PolarHBondContact O-NE1 3.2Å; S2374-W2377 PolarHBondContact O-N 3.18Å; S2374-W2377 VanDerWaalsContact O-N 3.11Å; S2374-W2377 PolarHBondContact OG-NE1 2.79Å; V2375-W2377 VanDerWaalsContact C-N 3.28Å; V2375-W2377 PolarHBondContact O-N 3.33Å; W2377-W2379 PolarHBondContact O-N 3.16Å; W2377-W2379 VanDerWaalsContact O-N 3.12Å; W2377-Y2399 HydrophobicContact CH2-CE1 4.12Å; W2377-L2400 HydrophobicContact CH2-CD2 4.39Å; W2377-L2400 HydrophobicContact CZ3-CD2 3.9Å; W2377-E2403 HydrophobicContact CH2-CB 4.4Å; W2377-E2403 HydrophobicContact CH2-CG 4.3Å; W2377-H2408 AromaticContact CD1-CE1 3.8Å; W2377-H2408 AromaticContact CE2-CE1 3.65Å; W2377-H2408 AromaticContact CE2-NE2 3.98Å; W2377-H2408 AromaticContact CZ2-CE1 3.82Å; W2377-H2408 AromaticContact CZ2-NE2 3.93Å; W2377-H2408 AromaticContact NE1-CE1 3.18Å; W2377-H2408 PolarHBondContact NE1-CE1 3.3Å; W2377-H2408 AromaticContact NE1-ND1 3.89Å; W2377-H2408 AromaticContact NE1-NE2 3.59Å; W2377-H2408 PolarHBondContact NE1-NE2 3.47Å; W2377-A2411 HydrophobicContact CE3-CB 4.35Å; W2377-A2411 HydrophobicContact CH2-CB 3.47Å; W2377-A2411 VanDerWaalsContact CH2-CB 3.47Å; W2377-A2411 HydrophobicContact CZ2-CB 3.93Å; W2377-A2411 HydrophobicContact CZ3-CB 3.71Å; W2377-F2414 HydrophobicContact CB-CB 4.39Å; W2377-F2414 HydrophobicContact CB-CD2 4.47Å; W2377-F2414 HydrophobicContact CE3-CB 3.86Å; W2377-F2414 HydrophobicContact CE3-CD1 4.14Å; W2377-F2414 HydrophobicContact CE3-CD2 4.29Å; W2377-F2414 AromaticContact CE3-CG 3.86Å; W2377-F2414 HydrophobicContact CE3-CG 3.86Å; W2377-F2414 HydrophobicContact CZ3-CD1 4.36Å; W2377-F2414 HydrophobicContact CZ3-CG 4.42Å |
| 2378 | N | 92 | Very high | 74 | Confident | 9.2 Ų | 9.2 | 56.4 Ų | 56.4 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | trans | -75.7 | 93 | 171.4 | -175.1 | -1.8 | 0 | 0 | 0 | 110.8 | L2230 Y2233 R2234 V2375 K2376 E2380 A2381 F2382 | L2230-N2378 HydrophobicContact CD2-CB 4.4Å; L2230-N2378 WeakPolarHBondContact O-CB 3.32Å; L2230-N2378 PolarHBondContact O-ND2 3.02Å; Y2233-N2378 PolarHBondContact O-ND2 3.14Å; R2234-N2378 WeakPolarHBondContact CG-ND2 3.45Å; V2375-N2378 VanDerWaalsContact O-CB 3.31Å; V2375-N2378 WeakPolarHBondContact O-CB 3.37Å; V2375-N2378 PolarHBondContact O-N 3.12Å; K2376-N2378 VanDerWaalsContact C-N 3.28Å; K2376-N2378 PolarHBondContact O-N 3.09Å; N2378-E2380 VanDerWaalsContact C-N 3.31Å; N2378-E2380 PolarHBondContact O-N 3.31Å; N2378-E2380 PolarHBondContact OD1-N 2.97Å; N2378-A2381 HydrophobicContact CB-CB 4.47Å; N2378-A2381 PolarHBondContact O-N 3.24Å; N2378-A2381 PolarHBondContact OD1-N 3.1Å; N2378-F2382 WeakPolarHBondContact O-CB 3.45Å; N2378-F2382 PolarHBondContact O-N 3.27Å; N2378-F2382 VanDerWaalsContact O-N 3.14Å | ||
| 2379 | W | 92.7 | Very high | 76.8 | Confident | 42.8 Ų | 42.8 | 51.3 Ų | 51.3 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -31.2 | -179.4 | 78.6 | -96.6 | 0 | 0 | 0 | 113.1 | W2377 A2381 F2382 A2383 F2414 D2417 L2418 H2421 | W2377-W2379 PolarHBondContact O-N 3.16Å; W2377-W2379 VanDerWaalsContact O-N 3.12Å; W2379-A2381 PolarHBondContact O-N 3.28Å; W2379-F2382 PolarHBondContact O-N 3Å; W2379-A2383 HydrophobicContact CE3-CB 4.28Å; W2379-A2383 HydrophobicContact CZ3-CB 4.43Å; W2379-A2383 VanDerWaalsContact O-CB 3.27Å; W2379-A2383 WeakPolarHBondContact O-CB 3.37Å; W2379-A2383 PolarHBondContact O-N 3.29Å; W2379-F2414 HydrophobicContact CB-CD2 3.72Å; W2379-F2414 HydrophobicContact CB-CE2 3.95Å; W2379-D2417 HydrophobicContact CB-CB 4.11Å; W2379-D2417 VanDerWaalsContact CD1-CB 3.45Å; W2379-D2417 VanDerWaalsContact CD1-CG 3.46Å; W2379-D2417 HydrophobicContact CD2-CB 3.84Å; W2379-D2417 HydrophobicContact CG-CB 3.53Å; W2379-D2417 PolarHBondContact NE1-OD2 2.96Å; W2379-L2418 HydrophobicContact CB-CD2 4.22Å; W2379-L2418 HydrophobicContact CB-CG 4.38Å; W2379-L2418 HydrophobicContact CE3-CD2 4.44Å; W2379-H2421 HydrophobicContact CE3-CB 4.4Å; W2379-H2421 HydrophobicContact CH2-CB 4.12Å; W2379-H2421 AromaticContact CH2-CG 3.91Å; W2379-H2421 AromaticContact CH2-ND1 3.66Å; W2379-H2421 HydrophobicContact CZ3-CB 3.67Å; W2379-H2421 AromaticContact CZ3-CG 3.48Å; W2379-H2421 VanDerWaalsContact CZ3-CG 3.46Å; W2379-H2421 AromaticContact CZ3-ND1 3.63Å |
| 2380 | E | 91.9 | Very high | 79.7 | Confident | 21.4 Ų | 21.4 | 45 Ų | 45 | 10% | 0.1 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | -177.4 | -64.2 | -173.5 | 111.1 | 0 | 0 | 111.1 | R2234 S2236 N2378 | R2234-E2380 VanDerWaalsContact CA-OE2 3.26Å; R2234-E2380 WeakPolarHBondContact CA-OE2 3.37Å; S2236-E2380 WeakPolarHBondContact CB-OE1 3.39Å; S2236-E2380 PolarHBondContact N-OE1 3.06Å; S2236-E2380 PolarHBondContact N-OE2 2.71Å; S2236-E2380 PolarHBondContact OG-OE1 3.08Å; S2236-E2380 VanDerWaalsContact OG-OE1 3.09Å; S2236-E2380 PolarHBondContact OG-OE2 3.06Å; N2378-E2380 VanDerWaalsContact C-N 3.31Å; N2378-E2380 PolarHBondContact O-N 3.31Å; N2378-E2380 PolarHBondContact OD1-N 2.97Å |
| 2381 | A | 92.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.9 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F2229 L2230 Y2233 N2378 W2379 A2383 E2384 F2385 | F2229-A2381 HydrophobicContact CD1-CB 3.85Å; F2229-A2381 HydrophobicContact CE1-CB 3.78Å; F2229-A2381 VanDerWaalsContact CE1-O 3.31Å; F2229-A2381 WeakPolarHBondContact CE1-O 3.37Å; F2229-A2381 HydrophobicContact CG-CB 4.42Å; F2229-A2381 HydrophobicContact CZ-CB 4.41Å; L2230-A2381 HydrophobicContact CD2-CB 3.83Å; L2230-A2381 HydrophobicContact CG-CB 4.49Å; Y2233-A2381 HydrophobicContact CD1-CB 3.95Å; Y2233-A2381 HydrophobicContact CG-CB 4.44Å; N2378-A2381 HydrophobicContact CB-CB 4.47Å; N2378-A2381 PolarHBondContact O-N 3.24Å; N2378-A2381 PolarHBondContact OD1-N 3.1Å; W2379-A2381 PolarHBondContact O-N 3.28Å; A2381-A2383 VanDerWaalsContact C-N 3.26Å; A2381-A2383 PolarHBondContact O-N 3.32Å; A2381-E2384 PolarHBondContact O-N 3.04Å; A2381-E2384 VanDerWaalsContact O-N 3.1Å; A2381-F2385 PolarHBondContact O-N 3.05Å |
| 2382 | F | 94.2 | Very high | 85.2 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 176.6 | -168.2 | -94 | 0 | 0 | 0 | 112.6 | W2283 N2378 W2379 E2384 F2385 L2386 I2391 V2396 F2414 L2418 | W2283-F2382 AromaticContact CD1-CD2 3.86Å; W2283-F2382 AromaticContact CD2-CD2 3.98Å; W2283-F2382 HydrophobicContact CD2-CD2 3.99Å; W2283-F2382 AromaticContact CD2-CE2 3.5Å; W2283-F2382 HydrophobicContact CD2-CE2 3.5Å; W2283-F2382 VanDerWaalsContact CD2-CE2 3.47Å; W2283-F2382 HydrophobicContact CD2-CZ 4.45Å; W2283-F2382 AromaticContact CE2-CD2 3.63Å; W2283-F2382 AromaticContact CE2-CE2 3.49Å; W2283-F2382 VanDerWaalsContact CE2-CE2 3.45Å; W2283-F2382 AromaticContact CE3-CE2 3.87Å; W2283-F2382 HydrophobicContact CE3-CE2 3.87Å; W2283-F2382 HydrophobicContact CE3-CZ 4.45Å; W2283-F2382 HydrophobicContact CG-CD2 4.14Å; W2283-F2382 AromaticContact CG-CE2 3.92Å; W2283-F2382 HydrophobicContact CG-CE2 3.92Å; W2283-F2382 HydrophobicContact CH2-CE2 4.19Å; W2283-F2382 HydrophobicContact CH2-CZ 4.36Å; W2283-F2382 HydrophobicContact CZ2-CD2 4.11Å; W2283-F2382 AromaticContact CZ2-CE2 3.82Å; W2283-F2382 HydrophobicContact CZ2-CE2 3.86Å; W2283-F2382 HydrophobicContact CZ2-CZ 4.36Å; W2283-F2382 HydrophobicContact CZ3-CE2 4.2Å; W2283-F2382 HydrophobicContact CZ3-CZ 4.44Å; W2283-F2382 AromaticContact NE1-CD2 3.54Å; W2283-F2382 AromaticContact NE1-CE2 3.87Å; N2378-F2382 WeakPolarHBondContact O-CB 3.45Å; N2378-F2382 PolarHBondContact O-N 3.27Å; N2378-F2382 VanDerWaalsContact O-N 3.14Å; W2379-F2382 PolarHBondContact O-N 3Å; F2382-E2384 VanDerWaalsContact C-N 3.26Å; F2382-E2384 PolarHBondContact O-N 3.22Å; F2382-F2385 HydrophobicContact CD2-CD2 4.45Å; F2382-F2385 WeakPolarHBondContact O-CB 3.33Å; F2382-F2385 PolarHBondContact O-N 3.26Å; F2382-F2385 VanDerWaalsContact O-N 3.09Å; F2382-L2386 HydrophobicContact CD1-CD1 3.83Å; F2382-L2386 HydrophobicContact CD1-CD2 4.41Å; F2382-L2386 HydrophobicContact CD1-CG 3.88Å; F2382-L2386 HydrophobicContact CE1-CD1 3.83Å; F2382-L2386 HydrophobicContact CE1-CD2 3.78Å; F2382-L2386 HydrophobicContact CE1-CG 3.76Å; F2382-L2386 HydrophobicContact CZ-CD2 4.41Å; F2382-L2386 WeakPolarHBondContact O-CG 3.49Å; F2382-L2386 PolarHBondContact O-N 3.14Å; F2382-I2391 HydrophobicContact CD1-CD1 4.29Å; F2382-I2391 HydrophobicContact CD2-CD1 4.02Å; F2382-I2391 HydrophobicContact CE1-CD1 3.84Å; F2382-I2391 HydrophobicContact CE2-CD1 3.67Å; F2382-I2391 HydrophobicContact CE2-CG1 4.4Å; F2382-I2391 HydrophobicContact CG-CD1 4.39Å; F2382-I2391 HydrophobicContact CZ-CD1 3.72Å; F2382-I2391 VanDerWaalsContact CZ-CD1 3.43Å; F2382-I2391 HydrophobicContact CZ-CG1 4.27Å; F2382-I2391 HydrophobicContact CZ-CG2 4.13Å; F2382-V2396 HydrophobicContact CZ-CG1 4.04Å; F2382-V2396 HydrophobicContact CZ-CG2 4.31Å; F2382-F2414 HydrophobicContact CB-CE2 3.86Å; F2382-F2414 HydrophobicContact CB-CZ 3.97Å; F2382-F2414 HydrophobicContact CD1-CE1 4.49Å; F2382-F2414 HydrophobicContact CD1-CE2 4.33Å; F2382-F2414 AromaticContact CD1-CZ 3.6Å; F2382-F2414 HydrophobicContact CD1-CZ 3.6Å; F2382-F2414 HydrophobicContact CD2-CZ 4.07Å; F2382-F2414 AromaticContact CE1-CZ 3.97Å; F2382-F2414 HydrophobicContact CE1-CZ 4.02Å; F2382-F2414 HydrophobicContact CE2-CZ 4.4Å; F2382-F2414 HydrophobicContact CG-CE2 4.04Å; F2382-F2414 AromaticContact CG-CZ 3.61Å; F2382-F2414 HydrophobicContact CG-CZ 3.61Å; F2382-F2414 HydrophobicContact CZ-CZ 4.39Å; F2382-L2418 HydrophobicContact CD1-CD1 4.01Å; F2382-L2418 HydrophobicContact CD1-CD2 4.23Å; F2382-L2418 HydrophobicContact CE1-CD1 4.16Å |
| 2383 | A | 91.5 | Very high | 87.4 | Confident | 1.2 Ų | 1.2 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -32.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W2379 A2381 L2386 R2387 F2422 | W2379-A2383 HydrophobicContact CE3-CB 4.28Å; W2379-A2383 HydrophobicContact CZ3-CB 4.43Å; W2379-A2383 VanDerWaalsContact O-CB 3.27Å; W2379-A2383 WeakPolarHBondContact O-CB 3.37Å; W2379-A2383 PolarHBondContact O-N 3.29Å; A2381-A2383 VanDerWaalsContact C-N 3.26Å; A2381-A2383 PolarHBondContact O-N 3.32Å; A2383-L2386 WeakPolarHBondContact O-CB 3.34Å; A2383-L2386 PolarHBondContact O-N 3.35Å; A2383-R2387 WeakPolarHBondContact O-CG 3.43Å; A2383-R2387 PolarHBondContact O-N 3.24Å; A2383-R2387 VanDerWaalsContact O-N 3.1Å; A2383-R2387 PolarHBondContact O-NH1 3.24Å; A2383-R2387 VanDerWaalsContact O-NH1 3.14Å; A2383-F2422 HydrophobicContact CB-CE2 3.74Å; A2383-F2422 HydrophobicContact CB-CZ 3.68Å |
| 2384 | E | 91.5 | Very high | 88.6 | Confident | 25.2 Ų | 25.2 | 24.4 Ų | 24.4 | 12% | 0.118 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.7 | -35.5 | 174.2 | -60.5 | -56.1 | 143.3 | 0 | 0 | 112.1 | F2229 Y2233 K2252 A2381 F2382 L2386 R2387 V2388 | F2229-E2384 HydrophobicContact CE1-CB 3.91Å; F2229-E2384 HydrophobicContact CE1-CG 4.36Å; F2229-E2384 HydrophobicContact CZ-CB 3.89Å; F2229-E2384 HydrophobicContact CZ-CG 4.02Å; Y2233-E2384 HydrophobicContact CD1-CG 4.4Å; Y2233-E2384 HydrophobicContact CE1-CG 3.55Å; Y2233-E2384 VanDerWaalsContact CE1-CG 3.49Å; Y2233-E2384 PolarHBondContact OH-OE1 3.44Å; Y2233-E2384 VanDerWaalsContact OH-OE1 3.05Å; K2252-E2384 HydrophobicContact CD-CG 4.19Å; K2252-E2384 WeakPolarHBondContact CD-OE2 3.28Å; K2252-E2384 WeakPolarHBondContact CE-OE2 3.1Å; K2252-E2384 HydrophobicContact CG-CG 4.44Å; K2252-E2384 IonicContact NZ-OE1 3.16Å; K2252-E2384 IonicContact NZ-OE2 3.2Å; K2252-E2384 PolarHBondContact NZ-OE2 2.84Å; A2381-E2384 PolarHBondContact O-N 3.04Å; A2381-E2384 VanDerWaalsContact O-N 3.1Å; F2382-E2384 VanDerWaalsContact C-N 3.26Å; F2382-E2384 PolarHBondContact O-N 3.22Å; E2384-L2386 VanDerWaalsContact C-N 3.29Å; E2384-L2386 PolarHBondContact O-N 3.32Å; E2384-R2387 VanDerWaalsContact CD-NH1 3.34Å; E2384-R2387 PolarHBondContact O-N 2.93Å; E2384-R2387 IonicContact OE1-CZ 3.3Å; E2384-R2387 IonicContact OE1-NH1 3.44Å; E2384-R2387 PolarHBondContact OE1-NH1 3.34Å; E2384-R2387 IonicContact OE2-NH1 3.1Å; E2384-V2388 WeakPolarHBondContact O-CG2 3.35Å; E2384-V2388 PolarHBondContact O-N 3.2Å |
| 2385 | F | 92.3 | Very high | 89.1 | Confident | 0.8 Ų | 0.8 | 26.7 Ų | 26.7 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 172 | -66 | -44 | 0 | 0 | 0 | 112.2 | M2225 V2226 F2229 L2230 M2256 L2259 A2381 F2382 R2387 V2388 H2389 V2390 I2391 | M2225-F2385 HydrophobicContact CE-CE1 4.4Å; M2225-F2385 HydrophobicContact SD-CE1 4.2Å; M2225-F2385 HydrophobicContact SD-CZ 4.43Å; V2226-F2385 HydrophobicContact CB-CZ 4.35Å; V2226-F2385 HydrophobicContact CG1-CE2 4.17Å; V2226-F2385 HydrophobicContact CG1-CZ 4.27Å; V2226-F2385 HydrophobicContact CG2-CZ 4.02Å; F2229-F2385 HydrophobicContact CB-CZ 4.24Å; F2229-F2385 AromaticContact CD1-CE1 3.82Å; F2229-F2385 HydrophobicContact CD1-CE1 3.82Å; F2229-F2385 AromaticContact CD1-CE2 3.89Å; F2229-F2385 HydrophobicContact CD1-CE2 3.92Å; F2229-F2385 AromaticContact CD1-CZ 3.44Å; F2229-F2385 HydrophobicContact CD1-CZ 3.44Å; F2229-F2385 VanDerWaalsContact CD1-CZ 3.42Å; F2229-F2385 HydrophobicContact CE1-CE1 4.3Å; F2229-F2385 HydrophobicContact CE1-CE2 4.48Å; F2229-F2385 HydrophobicContact CE1-CZ 4.24Å; F2229-F2385 HydrophobicContact CG-CZ 4.25Å; L2230-F2385 HydrophobicContact CD1-CE2 4.45Å; L2230-F2385 HydrophobicContact CD2-CE2 4.1Å; L2230-F2385 HydrophobicContact CG-CE2 4.12Å; M2256-F2385 HydrophobicContact CE-CD1 4Å; M2256-F2385 HydrophobicContact CE-CE1 3.77Å; L2259-F2385 HydrophobicContact CD2-CD1 4.39Å; L2259-F2385 HydrophobicContact CD2-CE1 4.41Å; A2381-F2385 PolarHBondContact O-N 3.05Å; F2382-F2385 HydrophobicContact CD2-CD2 4.45Å; F2382-F2385 WeakPolarHBondContact O-CB 3.33Å; F2382-F2385 PolarHBondContact O-N 3.26Å; F2382-F2385 VanDerWaalsContact O-N 3.09Å; F2385-R2387 VanDerWaalsContact C-N 3.35Å; F2385-V2388 PolarHBondContact O-N 3.15Å; F2385-H2389 PolarHBondContact O-N 2.96Å; F2385-V2390 HydrophobicContact CB-CG1 3.8Å; F2385-V2390 HydrophobicContact CB-CG2 3.98Å; F2385-V2390 HydrophobicContact CD1-CG1 4.03Å; F2385-V2390 HydrophobicContact CD1-CG2 4.08Å; F2385-V2390 HydrophobicContact CG-CG1 4.29Å; F2385-V2390 HydrophobicContact CG-CG2 4.42Å; F2385-V2390 VanDerWaalsContact O-CG1 3.29Å; F2385-V2390 WeakPolarHBondContact O-CG1 3.35Å; F2385-V2390 WeakPolarHBondContact O-CG2 3.42Å; F2385-V2390 PolarHBondContact O-N 3.03Å; F2385-I2391 HydrophobicContact CB-CD1 3.65Å; F2385-I2391 VanDerWaalsContact CB-CD1 3.41Å; F2385-I2391 HydrophobicContact CB-CG1 3.98Å; F2385-I2391 HydrophobicContact CG-CD1 4.46Å |
| 2386 | L | 89.5 | Confident | 89.4 | Confident | 2.2 Ų | 2.2 | 24.8 Ų | 24.8 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 174 | -67.8 | 178.4 | 0 | 0 | 0 | 111.6 | F2382 A2383 E2384 V2388 H2389 I2391 F2393 L2418 F2422 V2502 L2503 | F2382-L2386 HydrophobicContact CD1-CD1 3.83Å; F2382-L2386 HydrophobicContact CD1-CD2 4.41Å; F2382-L2386 HydrophobicContact CD1-CG 3.88Å; F2382-L2386 HydrophobicContact CE1-CD1 3.83Å; F2382-L2386 HydrophobicContact CE1-CD2 3.78Å; F2382-L2386 HydrophobicContact CE1-CG 3.76Å; F2382-L2386 HydrophobicContact CZ-CD2 4.41Å; F2382-L2386 WeakPolarHBondContact O-CG 3.49Å; F2382-L2386 PolarHBondContact O-N 3.14Å; A2383-L2386 WeakPolarHBondContact O-CB 3.34Å; A2383-L2386 PolarHBondContact O-N 3.35Å; E2384-L2386 VanDerWaalsContact C-N 3.29Å; E2384-L2386 PolarHBondContact O-N 3.32Å; L2386-V2388 VanDerWaalsContact C-N 3.28Å; L2386-V2388 PolarHBondContact O-N 3.22Å; L2386-H2389 WeakPolarHBondContact O-CA 3.28Å; L2386-H2389 PolarHBondContact O-N 3.03Å; L2386-H2389 PolarHBondContact O-ND1 3.35Å; L2386-I2391 HydrophobicContact CD2-CB 4.1Å; L2386-I2391 HydrophobicContact CD2-CD1 3.66Å; L2386-I2391 HydrophobicContact CD2-CG1 4.21Å; L2386-I2391 HydrophobicContact CD2-CG2 4.21Å; L2386-I2391 HydrophobicContact CG-CD1 4.01Å; L2386-F2393 HydrophobicContact CD2-CD1 4.48Å; L2386-F2393 HydrophobicContact CD2-CE1 3.54Å; L2386-F2393 VanDerWaalsContact CD2-CE1 3.47Å; L2386-F2393 HydrophobicContact CD2-CZ 3.9Å; L2386-L2418 HydrophobicContact CD1-CD2 4.1Å; L2386-F2422 HydrophobicContact CB-CZ 4.44Å; L2386-F2422 HydrophobicContact CD1-CD2 4.39Å; L2386-F2422 HydrophobicContact CD1-CE2 3.81Å; L2386-F2422 HydrophobicContact CD1-CZ 4.42Å; L2386-V2502 HydrophobicContact CB-CG1 3.64Å; L2386-L2503 HydrophobicContact CD1-CB 4.44Å; L2386-L2503 HydrophobicContact CD1-CD1 3.85Å; L2386-L2503 VanDerWaalsContact CD1-CD1 3.45Å; L2386-L2503 HydrophobicContact CD1-CD2 4.3Å; L2386-L2503 HydrophobicContact CD1-CG 3.99Å |
| 2387 | R | 87.3 | Confident | 89.4 | Confident | 67.6 Ų | 67.6 | 25.3 Ų | 25.3 | 26% | 0.255 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.3 | -27.6 | 178.5 | -73.4 | -176.5 | -176 | 106.2 | -13.8 | 114.4 | A2383 E2384 F2385 H2389 H2421 E2499 V2502 | A2383-R2387 WeakPolarHBondContact O-CG 3.43Å; A2383-R2387 PolarHBondContact O-N 3.24Å; A2383-R2387 VanDerWaalsContact O-N 3.1Å; A2383-R2387 PolarHBondContact O-NH1 3.24Å; A2383-R2387 VanDerWaalsContact O-NH1 3.14Å; E2384-R2387 VanDerWaalsContact CD-NH1 3.34Å; E2384-R2387 PolarHBondContact O-N 2.93Å; E2384-R2387 IonicContact OE1-CZ 3.3Å; E2384-R2387 IonicContact OE1-NH1 3.44Å; E2384-R2387 PolarHBondContact OE1-NH1 3.34Å; E2384-R2387 IonicContact OE2-NH1 3.1Å; F2385-R2387 VanDerWaalsContact C-N 3.35Å; R2387-H2389 VanDerWaalsContact C-N 3.29Å; R2387-H2421 PolarHBondContact NH2-NE2 3.16Å; R2387-E2499 IonicContact CZ-OE1 3.92Å; R2387-E2499 IonicContact CZ-OE2 3.15Å; R2387-E2499 IonicContact NE-OE1 3.44Å; R2387-E2499 PolarHBondContact NE-OE1 3.16Å; R2387-E2499 IonicContact NE-OE2 3.27Å; R2387-E2499 PolarHBondContact NE-OE2 3.12Å; R2387-E2499 IonicContact NH2-OE1 2.99Å; R2387-E2499 PolarHBondContact NH2-OE1 2.93Å; R2387-E2499 IonicContact NH2-OE2 3.18Å; R2387-V2502 HydrophobicContact CG-CG1 4.07Å; R2387-V2502 HydrophobicContact CG-CG2 4.1Å |
| 2388 | V | 86.3 | Confident | 89.4 | Confident | 47.8 Ų | 47.8 | 27.7 Ų | 27.7 | 29% | 0.29 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 0.2 | 174.9 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | M2256 L2259 L2263 E2384 F2385 L2386 V2390 | M2256-V2388 HydrophobicContact CG-CG2 4.5Å; M2256-V2388 HydrophobicContact SD-CG2 3.7Å; L2259-V2388 HydrophobicContact CD2-CB 4.41Å; L2259-V2388 HydrophobicContact CD2-CG1 4.25Å; L2263-V2388 HydrophobicContact CD1-CG1 4.32Å; E2384-V2388 WeakPolarHBondContact O-CG2 3.35Å; E2384-V2388 PolarHBondContact O-N 3.2Å; F2385-V2388 PolarHBondContact O-N 3.15Å; L2386-V2388 VanDerWaalsContact C-N 3.28Å; L2386-V2388 PolarHBondContact O-N 3.22Å; V2388-V2390 VanDerWaalsContact C-N 3.26Å; V2388-V2390 HydrophobicContact CB-CG1 4.42Å; V2388-V2390 HydrophobicContact CB-CG2 4.48Å; V2388-V2390 HydrophobicContact CG1-CB 4.49Å; V2388-V2390 HydrophobicContact CG1-CG1 4.04Å; V2388-V2390 PolarHBondContact O-N 3.2Å |
| 2389 | H | 84.9 | Confident | 89.4 | Confident | 74.2 Ų | 74.2 | 29 Ų | 29 | 34% | 0.344 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 29 | -179.6 | -60.6 | -72.6 | 0 | 0 | 0 | 114.6 | Y2272 F2385 L2386 R2387 I2391 T2501 F2581 | Y2272-H2389 VanDerWaalsContact OH-C 3.26Å; Y2272-H2389 VanDerWaalsContact OH-CB 3.29Å; Y2272-H2389 WeakPolarHBondContact OH-CB 3.47Å; Y2272-H2389 PolarHBondContact OH-O 3.03Å; F2385-H2389 PolarHBondContact O-N 2.96Å; L2386-H2389 WeakPolarHBondContact O-CA 3.28Å; L2386-H2389 PolarHBondContact O-N 3.03Å; L2386-H2389 PolarHBondContact O-ND1 3.35Å; R2387-H2389 VanDerWaalsContact C-N 3.29Å; H2389-I2391 VanDerWaalsContact C-N 3.3Å; H2389-I2391 PolarHBondContact O-N 3.28Å; H2389-T2501 PolarHBondContact CE1-O 3.15Å; H2389-T2501 VanDerWaalsContact CE1-O 3.25Å; H2389-F2581 HydrophobicContact CB-CE2 4.45Å |
| 2390 | V | 86.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -93.8 | 24.4 | -177.6 | -54.9 | 0 | 0 | 0 | 0 | 113.9 | L2259 L2263 T2276 V2279 F2385 V2388 | L2259-V2390 HydrophobicContact CD1-CG1 4.36Å; L2259-V2390 HydrophobicContact CD1-CG2 4.12Å; L2259-V2390 HydrophobicContact CD2-CB 4.31Å; L2259-V2390 HydrophobicContact CD2-CG1 3.87Å; L2259-V2390 HydrophobicContact CD2-CG2 3.85Å; L2259-V2390 HydrophobicContact CG-CG1 4.28Å; L2263-V2390 HydrophobicContact CD1-CG1 3.83Å; L2263-V2390 HydrophobicContact CD1-CG2 4.48Å; L2263-V2390 HydrophobicContact CD2-CG1 4.22Å; L2263-V2390 HydrophobicContact CD2-CG2 4.13Å; L2263-V2390 HydrophobicContact CG-CG1 4.47Å; T2276-V2390 WeakPolarHBondContact CG2-O 3.41Å; V2279-V2390 HydrophobicContact CB-CG2 4.1Å; V2279-V2390 HydrophobicContact CG1-CG1 4.17Å; V2279-V2390 HydrophobicContact CG1-CG2 4.2Å; V2279-V2390 HydrophobicContact CG2-CG2 3.92Å; F2385-V2390 HydrophobicContact CB-CG1 3.8Å; F2385-V2390 HydrophobicContact CB-CG2 3.98Å; F2385-V2390 HydrophobicContact CD1-CG1 4.03Å; F2385-V2390 HydrophobicContact CD1-CG2 4.08Å; F2385-V2390 HydrophobicContact CG-CG1 4.29Å; F2385-V2390 HydrophobicContact CG-CG2 4.42Å; F2385-V2390 VanDerWaalsContact O-CG1 3.29Å; F2385-V2390 WeakPolarHBondContact O-CG1 3.35Å; F2385-V2390 WeakPolarHBondContact O-CG2 3.42Å; F2385-V2390 PolarHBondContact O-N 3.03Å; V2388-V2390 VanDerWaalsContact C-N 3.26Å; V2388-V2390 HydrophobicContact CB-CG1 4.42Å; V2388-V2390 HydrophobicContact CB-CG2 4.48Å; V2388-V2390 HydrophobicContact CG1-CB 4.49Å; V2388-V2390 HydrophobicContact CG1-CG1 4.04Å; V2388-V2390 PolarHBondContact O-N 3.2Å | ||
| 2391 | I | 89.1 | Confident | 89.6 | Confident | 9.2 Ų | 9.2 | 26.6 Ų | 26.6 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -126.8 | 135.3 | -178.4 | -67.5 | -153.1 | 0 | 0 | 0 | 109.6 | V2279 T2280 F2382 F2385 L2386 H2389 F2393 V2396 | V2279-I2391 HydrophobicContact CG1-CD1 3.98Å; T2280-I2391 WeakPolarHBondContact OG1-CA 3.37Å; F2382-I2391 HydrophobicContact CD1-CD1 4.29Å; F2382-I2391 HydrophobicContact CD2-CD1 4.02Å; F2382-I2391 HydrophobicContact CE1-CD1 3.84Å; F2382-I2391 HydrophobicContact CE2-CD1 3.67Å; F2382-I2391 HydrophobicContact CE2-CG1 4.4Å; F2382-I2391 HydrophobicContact CG-CD1 4.39Å; F2382-I2391 HydrophobicContact CZ-CD1 3.72Å; F2382-I2391 VanDerWaalsContact CZ-CD1 3.43Å; F2382-I2391 HydrophobicContact CZ-CG1 4.27Å; F2382-I2391 HydrophobicContact CZ-CG2 4.13Å; F2385-I2391 HydrophobicContact CB-CD1 3.65Å; F2385-I2391 VanDerWaalsContact CB-CD1 3.41Å; F2385-I2391 HydrophobicContact CB-CG1 3.98Å; F2385-I2391 HydrophobicContact CG-CD1 4.46Å; L2386-I2391 HydrophobicContact CD2-CB 4.1Å; L2386-I2391 HydrophobicContact CD2-CD1 3.66Å; L2386-I2391 HydrophobicContact CD2-CG1 4.21Å; L2386-I2391 HydrophobicContact CD2-CG2 4.21Å; L2386-I2391 HydrophobicContact CG-CD1 4.01Å; H2389-I2391 VanDerWaalsContact C-N 3.3Å; H2389-I2391 PolarHBondContact O-N 3.28Å; I2391-F2393 PolarHBondContact O-N 3.19Å; I2391-V2396 HydrophobicContact CG2-CB 4.28Å; I2391-V2396 HydrophobicContact CG2-CG2 3.46Å; I2391-V2396 VanDerWaalsContact CG2-CG2 3.44Å |
| 2392 | Y | 85.2 | Confident | 89.7 | Confident | 28.2 Ų | 28.2 | 31.5 Ų | 31.5 | 11% | 0.111 | 16% | 0.16 | C | C | . | . | trans | -84.1 | 106.9 | 168.3 | -71.8 | -61.6 | 0 | 0 | 0 | 111 | A2273 T2276 R2277 T2280 S2394 Q2395 V2396 E2580 D2582 | A2273-Y2392 WeakPolarHBondContact CA-OH 3.35Å; A2273-Y2392 WeakPolarHBondContact CB-OH 3.3Å; A2273-Y2392 PolarHBondContact O-OH 2.98Å; A2273-Y2392 VanDerWaalsContact O-OH 3.13Å; T2276-Y2392 HydrophobicContact CG2-CD1 4.08Å; T2276-Y2392 HydrophobicContact CG2-CD2 3.82Å; T2276-Y2392 HydrophobicContact CG2-CE1 3.99Å; T2276-Y2392 HydrophobicContact CG2-CE2 3.65Å; T2276-Y2392 HydrophobicContact CG2-CG 4.08Å; R2277-Y2392 VanDerWaalsContact CA-CE2 3.45Å; R2277-Y2392 HydrophobicContact CB-CD2 4.47Å; R2277-Y2392 HydrophobicContact CB-CE2 3.85Å; R2277-Y2392 HydrophobicContact CG-CE2 4.36Å; T2280-Y2392 PolarHBondContact OG1-N 3.2Å; T2280-Y2392 VanDerWaalsContact OG1-N 3.12Å; Y2392-S2394 VanDerWaalsContact C-N 3.32Å; Y2392-S2394 PolarHBondContact O-N 3.21Å; Y2392-Q2395 PolarHBondContact O-N 3.27Å; Y2392-V2396 WeakPolarHBondContact O-CG2 3.47Å; Y2392-V2396 PolarHBondContact O-N 3.08Å; Y2392-V2396 VanDerWaalsContact O-N 3.1Å; Y2392-E2580 HydrophobicContact CD1-CG 4.15Å; Y2392-E2580 HydrophobicContact CE1-CG 4.21Å; Y2392-D2582 HydrophobicContact CD1-CB 4.32Å; Y2392-D2582 HydrophobicContact CE1-CB 3.63Å; Y2392-D2582 VanDerWaalsContact OH-CB 3.31Å; Y2392-D2582 WeakPolarHBondContact OH-CB 3.43Å; Y2392-D2582 PolarHBondContact OH-OD1 3.22Å | ||
| 2393 | F | 85.3 | Confident | 89.7 | Confident | 27.4 Ų | 27.4 | 32.5 Ų | 32.5 | 12% | 0.12 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.9 | -43.4 | -179.9 | -72.1 | -64 | 0 | 0 | 0 | 113.2 | L2386 I2391 Q2395 V2396 D2397 V2502 L2503 D2507 E2580 | L2386-F2393 HydrophobicContact CD2-CD1 4.48Å; L2386-F2393 HydrophobicContact CD2-CE1 3.54Å; L2386-F2393 VanDerWaalsContact CD2-CE1 3.47Å; L2386-F2393 HydrophobicContact CD2-CZ 3.9Å; I2391-F2393 PolarHBondContact O-N 3.19Å; F2393-Q2395 VanDerWaalsContact C-N 3.31Å; F2393-Q2395 PolarHBondContact O-N 3.26Å; F2393-V2396 PolarHBondContact O-N 3.15Å; F2393-V2396 VanDerWaalsContact O-N 3.14Å; F2393-D2397 VanDerWaalsContact O-CB 3.24Å; F2393-D2397 WeakPolarHBondContact O-CB 3.25Å; F2393-D2397 PolarHBondContact O-N 3.24Å; F2393-V2502 VanDerWaalsContact CZ-O 3.23Å; F2393-V2502 WeakPolarHBondContact CZ-O 3.33Å; F2393-L2503 HydrophobicContact CD1-CD1 4.13Å; F2393-L2503 HydrophobicContact CD1-CD2 3.71Å; F2393-L2503 HydrophobicContact CE1-CD1 3.71Å; F2393-L2503 HydrophobicContact CE1-CD2 3.17Å; F2393-L2503 HydrophobicContact CE1-CG 4.21Å; F2393-L2503 HydrophobicContact CE2-CD2 4.43Å; F2393-L2503 HydrophobicContact CZ-CD1 4.39Å; F2393-L2503 HydrophobicContact CZ-CD2 3.63Å; F2393-L2503 HydrophobicContact CZ-CG 4.32Å; F2393-D2507 HydrophobicContact CB-CB 4.4Å; F2393-D2507 HydrophobicContact CD1-CB 4.1Å; F2393-D2507 HydrophobicContact CD2-CB 4.16Å; F2393-D2507 HydrophobicContact CE1-CB 4.38Å; F2393-D2507 HydrophobicContact CG-CB 4.15Å; F2393-E2580 WeakPolarHBondContact CB-OE2 3.5Å; F2393-E2580 HydrophobicContact CD2-CG 4.25Å; F2393-E2580 WeakPolarHBondContact CD2-OE1 3.49Å; F2393-E2580 WeakPolarHBondContact CE2-OE1 3.39Å; F2393-E2580 WeakPolarHBondContact CG-OE1 3.41Å; F2393-E2580 PolarHBondContact N-OE1 3.09Å; F2393-E2580 PolarHBondContact N-OE2 2.91Å |
| 2394 | S | 82.9 | Confident | 89.8 | Confident | 56 Ų | 56 | 32.4 Ų | 32.4 | 39% | 0.392 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.3 | -41.3 | -179 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | Y2392 T2398 E2580 | Y2392-S2394 VanDerWaalsContact C-N 3.32Å; Y2392-S2394 PolarHBondContact O-N 3.21Å; S2394-T2398 WeakPolarHBondContact O-CB 3.47Å; S2394-T2398 PolarHBondContact O-N 3.14Å; S2394-T2398 VanDerWaalsContact O-N 3.12Å; S2394-T2398 PolarHBondContact O-OG1 3.07Å; S2394-T2398 VanDerWaalsContact O-OG1 3.06Å; S2394-E2580 VanDerWaalsContact CB-OE1 3.32Å; S2394-E2580 WeakPolarHBondContact CB-OE1 3.42Å; S2394-E2580 PolarHBondContact OG-OE1 3.17Å |
| 2395 | Q | 87.7 | Confident | 89.7 | Confident | 74.8 Ų | 74.8 | 34.3 Ų | 34.3 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -72.6 | -41.4 | 177.8 | -66 | -179.7 | 23.3 | 0 | 0 | 111.6 | T2280 I2284 Y2392 F2393 Y2399 | T2280-Q2395 HydrophobicContact CG2-CB 4.12Å; I2284-Q2395 HydrophobicContact CD1-CB 4.17Å; Y2392-Q2395 PolarHBondContact O-N 3.27Å; F2393-Q2395 VanDerWaalsContact C-N 3.31Å; F2393-Q2395 PolarHBondContact O-N 3.26Å; Q2395-Y2399 WeakPolarHBondContact O-CB 3.4Å; Q2395-Y2399 PolarHBondContact O-N 3.17Å; Q2395-Y2399 VanDerWaalsContact O-N 3.08Å |
| 2396 | V | 90.7 | Very high | 89.6 | Confident | 2.8 Ų | 2.8 | 41.1 Ų | 41.1 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 178.4 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | T2280 W2283 F2382 I2391 Y2392 F2393 Y2399 L2400 L2508 | T2280-V2396 HydrophobicContact CG2-CG2 3.94Å; W2283-V2396 HydrophobicContact CE3-CG2 4.26Å; W2283-V2396 HydrophobicContact CH2-CG1 4.33Å; W2283-V2396 HydrophobicContact CZ3-CB 4.48Å; W2283-V2396 HydrophobicContact CZ3-CG1 4.02Å; W2283-V2396 HydrophobicContact CZ3-CG2 4.03Å; F2382-V2396 HydrophobicContact CZ-CG1 4.04Å; F2382-V2396 HydrophobicContact CZ-CG2 4.31Å; I2391-V2396 HydrophobicContact CG2-CB 4.28Å; I2391-V2396 HydrophobicContact CG2-CG2 3.46Å; I2391-V2396 VanDerWaalsContact CG2-CG2 3.44Å; Y2392-V2396 WeakPolarHBondContact O-CG2 3.47Å; Y2392-V2396 PolarHBondContact O-N 3.08Å; Y2392-V2396 VanDerWaalsContact O-N 3.1Å; F2393-V2396 PolarHBondContact O-N 3.15Å; F2393-V2396 VanDerWaalsContact O-N 3.14Å; V2396-Y2399 PolarHBondContact O-N 2.99Å; V2396-L2400 HydrophobicContact CG1-CD1 3.49Å; V2396-L2400 VanDerWaalsContact CG1-CD1 3.48Å; V2396-L2400 HydrophobicContact CG1-CG 4.09Å; V2396-L2400 VanDerWaalsContact O-CB 3.28Å; V2396-L2400 WeakPolarHBondContact O-CB 3.4Å; V2396-L2400 VanDerWaalsContact O-CG 3.27Å; V2396-L2400 WeakPolarHBondContact O-CG 3.32Å; V2396-L2400 PolarHBondContact O-N 3.12Å; V2396-L2508 HydrophobicContact CG1-CD2 4.36Å |
| 2397 | D | 91.6 | Very high | 89.5 | Confident | 14.6 Ų | 14.6 | 41.8 Ų | 41.8 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 177.1 | -175.8 | 35.2 | 0 | 0 | 0 | 111.1 | F2393 Y2399 L2400 A2401 L2508 W2509 S2510 T2511 | F2393-D2397 VanDerWaalsContact O-CB 3.24Å; F2393-D2397 WeakPolarHBondContact O-CB 3.25Å; F2393-D2397 PolarHBondContact O-N 3.24Å; D2397-Y2399 VanDerWaalsContact C-N 3.33Å; D2397-Y2399 PolarHBondContact O-N 3.19Å; D2397-L2400 PolarHBondContact O-N 3.3Å; D2397-A2401 WeakPolarHBondContact O-CB 3.42Å; D2397-A2401 PolarHBondContact O-N 3.16Å; D2397-L2508 HydrophobicContact CB-CD2 4.12Å; D2397-L2508 VanDerWaalsContact CG-CA 3.4Å; D2397-L2508 VanDerWaalsContact OD1-CA 3.28Å; D2397-L2508 WeakPolarHBondContact OD1-CA 3.38Å; D2397-W2509 PolarHBondContact OD2-N 2.94Å; D2397-S2510 PolarHBondContact OD1-N 3.13Å; D2397-S2510 WeakPolarHBondContact OD2-CB 3.33Å; D2397-S2510 PolarHBondContact OD2-N 3.23Å; D2397-S2510 PolarHBondContact OD2-OG 3.25Å; D2397-T2511 PolarHBondContact O-OG1 3.29Å; D2397-T2511 VanDerWaalsContact O-OG1 3.07Å; D2397-T2511 VanDerWaalsContact OD1-CB 3.29Å; D2397-T2511 WeakPolarHBondContact OD1-CB 3.18Å; D2397-T2511 PolarHBondContact OD1-N 3.1Å; D2397-T2511 PolarHBondContact OD1-OG1 3.07Å |
| 2398 | T | 90.1 | Very high | 89.6 | Confident | 74.2 Ų | 74.2 | 39.7 Ų | 39.7 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | S2394 Q2402 | S2394-T2398 WeakPolarHBondContact O-CB 3.47Å; S2394-T2398 PolarHBondContact O-N 3.14Å; S2394-T2398 VanDerWaalsContact O-N 3.12Å; S2394-T2398 PolarHBondContact O-OG1 3.07Å; S2394-T2398 VanDerWaalsContact O-OG1 3.06Å; T2398-Q2402 WeakPolarHBondContact O-CG 3.4Å; T2398-Q2402 PolarHBondContact O-N 3.14Å |
| 2399 | Y | 93.9 | Very high | 89.6 | Confident | 34.6 Ų | 34.6 | 39.5 Ų | 39.5 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -48.8 | 178.9 | 174.6 | -101.2 | 0 | 0 | 0 | 112.2 | W2283 I2284 K2376 W2377 Q2395 V2396 D2397 A2401 Q2402 E2403 | W2283-Y2399 HydrophobicContact CH2-CD1 4.21Å; W2283-Y2399 HydrophobicContact CH2-CE1 4.32Å; W2283-Y2399 AromaticContact CZ3-CD1 3.89Å; W2283-Y2399 HydrophobicContact CZ3-CD1 3.89Å; W2283-Y2399 HydrophobicContact CZ3-CE1 4.31Å; I2284-Y2399 HydrophobicContact CG1-CD1 4.42Å; I2284-Y2399 HydrophobicContact CG1-CG 4.28Å; I2284-Y2399 HydrophobicContact CG2-CD2 3.82Å; I2284-Y2399 HydrophobicContact CG2-CE2 4.17Å; I2284-Y2399 HydrophobicContact CG2-CG 4.14Å; K2376-Y2399 VanDerWaalsContact CE-OH 3.28Å; K2376-Y2399 WeakPolarHBondContact CE-OH 3.23Å; K2376-Y2399 VanDerWaalsContact NZ-CZ 3.3Å; K2376-Y2399 PolarHBondContact NZ-OH 3.16Å; W2377-Y2399 HydrophobicContact CH2-CE1 4.12Å; Q2395-Y2399 WeakPolarHBondContact O-CB 3.4Å; Q2395-Y2399 PolarHBondContact O-N 3.17Å; Q2395-Y2399 VanDerWaalsContact O-N 3.08Å; V2396-Y2399 PolarHBondContact O-N 2.99Å; D2397-Y2399 VanDerWaalsContact C-N 3.33Å; D2397-Y2399 PolarHBondContact O-N 3.19Å; Y2399-A2401 VanDerWaalsContact C-N 3.33Å; Y2399-A2401 PolarHBondContact O-N 2.93Å; Y2399-Q2402 WeakPolarHBondContact O-CB 3.29Å; Y2399-Q2402 PolarHBondContact O-N 3.13Å; Y2399-Q2402 VanDerWaalsContact O-N 3.15Å; Y2399-E2403 HydrophobicContact CE1-CG 3.92Å; Y2399-E2403 HydrophobicContact CE2-CG 3.93Å; Y2399-E2403 PolarHBondContact O-N 3.37Å; Y2399-E2403 VanDerWaalsContact O-N 3.11Å; Y2399-E2403 WeakPolarHBondContact OH-CG 3.31Å |
| 2400 | L | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 178.9 | -75.2 | 174.1 | 0 | 0 | 0 | 111.4 | W2283 W2377 V2396 D2397 Q2402 E2403 V2404 F2414 V2415 L2508 T2511 | W2283-L2400 HydrophobicContact CH2-CD1 4.47Å; W2283-L2400 HydrophobicContact CH2-CD2 3.9Å; W2283-L2400 HydrophobicContact CH2-CG 4.18Å; W2377-L2400 HydrophobicContact CH2-CD2 4.39Å; W2377-L2400 HydrophobicContact CZ3-CD2 3.9Å; V2396-L2400 HydrophobicContact CG1-CD1 3.49Å; V2396-L2400 VanDerWaalsContact CG1-CD1 3.48Å; V2396-L2400 HydrophobicContact CG1-CG 4.09Å; V2396-L2400 VanDerWaalsContact O-CB 3.28Å; V2396-L2400 WeakPolarHBondContact O-CB 3.4Å; V2396-L2400 VanDerWaalsContact O-CG 3.27Å; V2396-L2400 WeakPolarHBondContact O-CG 3.32Å; V2396-L2400 PolarHBondContact O-N 3.12Å; D2397-L2400 PolarHBondContact O-N 3.3Å; L2400-Q2402 VanDerWaalsContact C-N 3.29Å; L2400-Q2402 PolarHBondContact O-N 2.88Å; L2400-E2403 PolarHBondContact O-N 2.96Å; L2400-V2404 VanDerWaalsContact O-CB 3.31Å; L2400-V2404 WeakPolarHBondContact O-CB 3.45Å; L2400-V2404 VanDerWaalsContact O-CG2 3.25Å; L2400-V2404 WeakPolarHBondContact O-CG2 3.39Å; L2400-V2404 PolarHBondContact O-N 3.19Å; L2400-F2414 HydrophobicContact CD1-CE1 4.12Å; L2400-F2414 HydrophobicContact CD2-CD1 3.95Å; L2400-F2414 HydrophobicContact CD2-CE1 3.99Å; L2400-V2415 HydrophobicContact CB-CG2 4.42Å; L2400-V2415 HydrophobicContact CD1-CG2 4.12Å; L2400-V2415 HydrophobicContact CD2-CG2 4.03Å; L2400-V2415 HydrophobicContact CG-CG2 4.44Å; L2400-L2508 HydrophobicContact CD1-CD2 4.32Å; L2400-T2511 HydrophobicContact CB-CG2 3.85Å; L2400-T2511 WeakPolarHBondContact CB-OG1 3.37Å |
| 2401 | A | 93.8 | Very high | 90.1 | Very high | 14.5 Ų | 14.5 | 36.6 Ų | 36.6 | 12% | 0.12 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.1 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D2397 Y2399 A2405 T2511 A2514 | D2397-A2401 WeakPolarHBondContact O-CB 3.42Å; D2397-A2401 PolarHBondContact O-N 3.16Å; Y2399-A2401 VanDerWaalsContact C-N 3.33Å; Y2399-A2401 PolarHBondContact O-N 2.93Å; A2401-A2405 WeakPolarHBondContact O-CB 3.41Å; A2401-A2405 PolarHBondContact O-N 3.25Å; A2401-T2511 PolarHBondContact N-OG1 3.03Å; A2401-A2514 HydrophobicContact CB-CB 4.19Å; A2401-A2514 WeakPolarHBondContact O-CB 3.34Å |
| 2402 | Q | 94.8 | Very high | 90.2 | Very high | 103.5 Ų | 103.5 | 36.5 Ų | 36.5 | 48% | 0.484 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 176.6 | -69.4 | 173.6 | 10.2 | 0 | 0 | 112.2 | T2398 Y2399 L2400 A2405 K2406 | T2398-Q2402 WeakPolarHBondContact O-CG 3.4Å; T2398-Q2402 PolarHBondContact O-N 3.14Å; Y2399-Q2402 WeakPolarHBondContact O-CB 3.29Å; Y2399-Q2402 PolarHBondContact O-N 3.13Å; Y2399-Q2402 VanDerWaalsContact O-N 3.15Å; L2400-Q2402 VanDerWaalsContact C-N 3.29Å; L2400-Q2402 PolarHBondContact O-N 2.88Å; Q2402-A2405 PolarHBondContact O-N 3.25Å; Q2402-K2406 VanDerWaalsContact O-CG 3.29Å; Q2402-K2406 WeakPolarHBondContact O-CG 3.35Å; Q2402-K2406 PolarHBondContact O-N 3.07Å |
| 2403 | E | 92.7 | Very high | 90.5 | Very high | 22.75 Ų | 22.75 | 36.8 Ų | 36.8 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.7 | -36.8 | 179.6 | -67.7 | -56.4 | 123.8 | 0 | 0 | 112.9 | W2377 Y2399 L2400 K2406 G2407 H2408 A2411 | W2377-E2403 HydrophobicContact CH2-CB 4.4Å; W2377-E2403 HydrophobicContact CH2-CG 4.3Å; Y2399-E2403 HydrophobicContact CE1-CG 3.92Å; Y2399-E2403 HydrophobicContact CE2-CG 3.93Å; Y2399-E2403 PolarHBondContact O-N 3.37Å; Y2399-E2403 VanDerWaalsContact O-N 3.11Å; Y2399-E2403 WeakPolarHBondContact OH-CG 3.31Å; L2400-E2403 PolarHBondContact O-N 2.96Å; E2403-K2406 PolarHBondContact O-N 3.02Å; E2403-K2406 IonicContact OE1-NZ 3.2Å; E2403-K2406 PolarHBondContact OE1-NZ 3.25Å; E2403-G2407 PolarHBondContact O-N 3.02Å; E2403-H2408 HydrophobicContact CB-CB 4.46Å; E2403-H2408 WeakPolarHBondContact O-CB 3.38Å; E2403-H2408 PolarHBondContact O-N 3.07Å; E2403-H2408 VanDerWaalsContact O-N 3.08Å; E2403-H2408 IonicContact OE2-CD2 3.05Å; E2403-A2411 HydrophobicContact CB-CB 3.74Å |
| 2404 | V | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 173.1 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | L2400 K2406 G2407 A2411 V2412 V2415 T2511 A2514 L2515 | L2400-V2404 VanDerWaalsContact O-CB 3.31Å; L2400-V2404 WeakPolarHBondContact O-CB 3.45Å; L2400-V2404 VanDerWaalsContact O-CG2 3.25Å; L2400-V2404 WeakPolarHBondContact O-CG2 3.39Å; L2400-V2404 PolarHBondContact O-N 3.19Å; V2404-K2406 VanDerWaalsContact C-N 3.3Å; V2404-K2406 PolarHBondContact O-N 3.05Å; V2404-G2407 WeakPolarHBondContact O-CA 3.42Å; V2404-G2407 PolarHBondContact O-N 3.21Å; V2404-A2411 HydrophobicContact CG2-CB 4.45Å; V2404-V2412 HydrophobicContact CG1-CG2 4.39Å; V2404-V2412 HydrophobicContact CG2-CG2 4.32Å; V2404-V2415 HydrophobicContact CG2-CG2 4.2Å; V2404-T2511 HydrophobicContact CG2-CG2 4.09Å; V2404-A2514 HydrophobicContact CB-CB 4.12Å; V2404-A2514 HydrophobicContact CG1-CB 3.83Å; V2404-L2515 HydrophobicContact CB-CD2 4.45Å; V2404-L2515 HydrophobicContact CG1-CB 4.42Å; V2404-L2515 HydrophobicContact CG1-CD2 3.5Å; V2404-L2515 VanDerWaalsContact CG1-CD2 3.49Å; V2404-L2515 HydrophobicContact CG1-CG 3.87Å; V2404-L2515 HydrophobicContact CG2-CD2 4.15Å |
| 2405 | A | 91.4 | Very high | 91.5 | Very high | 65.25 Ų | 65.25 | 32.9 Ų | 32.9 | 54% | 0.539 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A2401 Q2402 G2407 | A2401-A2405 WeakPolarHBondContact O-CB 3.41Å; A2401-A2405 PolarHBondContact O-N 3.25Å; Q2402-A2405 PolarHBondContact O-N 3.25Å; A2405-G2407 PolarHBondContact O-N 3.15Å |
| 2406 | K | 89.8 | Confident | 91.7 | Very high | 142.5 Ų | 142.5 | 29.4 Ų | 29.4 | 62% | 0.62 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.1 | 171.2 | -68.5 | 169.5 | -167.2 | 171.4 | 0 | 113.2 | Q2402 E2403 V2404 | Q2402-K2406 VanDerWaalsContact O-CG 3.29Å; Q2402-K2406 WeakPolarHBondContact O-CG 3.35Å; Q2402-K2406 PolarHBondContact O-N 3.07Å; E2403-K2406 PolarHBondContact O-N 3.02Å; E2403-K2406 IonicContact OE1-NZ 3.2Å; E2403-K2406 PolarHBondContact OE1-NZ 3.25Å; V2404-K2406 VanDerWaalsContact C-N 3.3Å; V2404-K2406 PolarHBondContact O-N 3.05Å |
| 2407 | G | 86.1 | Confident | 91.7 | Very high | 18.75 Ų | 18.75 | 30.1 Ų | 30.1 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 27.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | E2403 V2404 A2405 P2409 | E2403-G2407 PolarHBondContact O-N 3.02Å; V2404-G2407 WeakPolarHBondContact O-CA 3.42Å; V2404-G2407 PolarHBondContact O-N 3.21Å; A2405-G2407 PolarHBondContact O-N 3.15Å; G2407-P2409 WeakPolarHBondContact O-CD 3.25Å |
| 2408 | H | 89.5 | Confident | 91.7 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | trans | -65 | 118.6 | 178.9 | -175.8 | -56.8 | 0 | 0 | 0 | 110.7 | G2288 G2289 W2377 E2403 G2410 A2411 V2412 | G2288-H2408 PolarHBondContact O-NE2 3.07Å; G2288-H2408 VanDerWaalsContact O-NE2 3.16Å; G2289-H2408 PolarHBondContact O-NE2 3.08Å; G2289-H2408 VanDerWaalsContact O-NE2 3.12Å; W2377-H2408 AromaticContact CD1-CE1 3.8Å; W2377-H2408 AromaticContact CE2-CE1 3.65Å; W2377-H2408 AromaticContact CE2-NE2 3.98Å; W2377-H2408 AromaticContact CZ2-CE1 3.82Å; W2377-H2408 AromaticContact CZ2-NE2 3.93Å; W2377-H2408 AromaticContact NE1-CE1 3.18Å; W2377-H2408 PolarHBondContact NE1-CE1 3.3Å; W2377-H2408 AromaticContact NE1-ND1 3.89Å; W2377-H2408 AromaticContact NE1-NE2 3.59Å; W2377-H2408 PolarHBondContact NE1-NE2 3.47Å; E2403-H2408 HydrophobicContact CB-CB 4.46Å; E2403-H2408 WeakPolarHBondContact O-CB 3.38Å; E2403-H2408 PolarHBondContact O-N 3.07Å; E2403-H2408 VanDerWaalsContact O-N 3.08Å; E2403-H2408 IonicContact OE2-CD2 3.05Å; H2408-G2410 PolarHBondContact CE1-N 3.28Å; H2408-G2410 WeakPolarHBondContact ND1-CA 3.34Å; H2408-G2410 PolarHBondContact ND1-N 3.26Å; H2408-G2410 PolarHBondContact O-N 3.25Å; H2408-A2411 HydrophobicContact CB-CB 4.01Å; H2408-A2411 PolarHBondContact ND1-N 3.19Å; H2408-A2411 VanDerWaalsContact ND1-N 3.14Å; H2408-A2411 PolarHBondContact O-N 3.22Å; H2408-V2412 WeakPolarHBondContact O-CG2 3.4Å; H2408-V2412 PolarHBondContact O-N 3.1Å | ||
| 2409 | P | 87.8 | Confident | 91.7 | Very high | 44.25 Ų | 44.25 | 26 Ų | 26 | 29% | 0.287 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.5 | -39.2 | -172.5 | 24.4 | -33.5 | 0 | 0 | 0 | 113.1 | V2291 L2372 G2407 V2412 T2413 L2535 | V2291-P2409 HydrophobicContact CB-CG 4.32Å; V2291-P2409 HydrophobicContact CG1-CG 4.49Å; V2291-P2409 HydrophobicContact CG2-CG 4.3Å; L2372-P2409 HydrophobicContact CD2-CG 3.99Å; G2407-P2409 WeakPolarHBondContact O-CD 3.25Å; P2409-V2412 PolarHBondContact O-N 3.25Å; P2409-T2413 WeakPolarHBondContact O-CB 3.38Å; P2409-T2413 PolarHBondContact O-N 3.1Å; P2409-T2413 PolarHBondContact O-OG1 3.14Å; P2409-T2413 VanDerWaalsContact O-OG1 3.09Å; P2409-L2535 HydrophobicContact CB-CD1 3.95Å; P2409-L2535 HydrophobicContact CB-CD2 3.74Å |
| 2410 | G | 88.4 | Confident | 91.4 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 13% | 0.134 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.2 | -50.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | H2408 V2412 T2413 F2414 | H2408-G2410 PolarHBondContact CE1-N 3.28Å; H2408-G2410 WeakPolarHBondContact ND1-CA 3.34Å; H2408-G2410 PolarHBondContact ND1-N 3.26Å; H2408-G2410 PolarHBondContact O-N 3.25Å; G2410-V2412 PolarHBondContact O-N 3.25Å; G2410-T2413 WeakPolarHBondContact CA-OG1 3.29Å; G2410-T2413 PolarHBondContact O-N 3.36Å; G2410-T2413 PolarHBondContact O-OG1 3.49Å; G2410-F2414 VanDerWaalsContact O-CB 3.23Å; G2410-F2414 WeakPolarHBondContact O-CB 3.3Å; G2410-F2414 PolarHBondContact O-N 2.88Å |
| 2411 | A | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W2377 E2403 V2404 H2408 T2413 F2414 V2415 | W2377-A2411 HydrophobicContact CE3-CB 4.35Å; W2377-A2411 HydrophobicContact CH2-CB 3.47Å; W2377-A2411 VanDerWaalsContact CH2-CB 3.47Å; W2377-A2411 HydrophobicContact CZ2-CB 3.93Å; W2377-A2411 HydrophobicContact CZ3-CB 3.71Å; E2403-A2411 HydrophobicContact CB-CB 3.74Å; V2404-A2411 HydrophobicContact CG2-CB 4.45Å; H2408-A2411 HydrophobicContact CB-CB 4.01Å; H2408-A2411 PolarHBondContact ND1-N 3.19Å; H2408-A2411 VanDerWaalsContact ND1-N 3.14Å; H2408-A2411 PolarHBondContact O-N 3.22Å; A2411-T2413 PolarHBondContact O-N 3.33Å; A2411-F2414 PolarHBondContact O-N 3.13Å; A2411-V2415 VanDerWaalsContact O-CG2 3.3Å; A2411-V2415 WeakPolarHBondContact O-CG2 3.47Å; A2411-V2415 PolarHBondContact O-N 3.13Å |
| 2412 | V | 92.7 | Very high | 90.7 | Very high | 6.75 Ų | 6.75 | 28.5 Ų | 28.5 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | V2404 H2408 P2409 G2410 F2414 V2415 I2416 L2515 L2535 L2539 | V2404-V2412 HydrophobicContact CG1-CG2 4.39Å; V2404-V2412 HydrophobicContact CG2-CG2 4.32Å; H2408-V2412 WeakPolarHBondContact O-CG2 3.4Å; H2408-V2412 PolarHBondContact O-N 3.1Å; P2409-V2412 PolarHBondContact O-N 3.25Å; G2410-V2412 PolarHBondContact O-N 3.25Å; V2412-F2414 VanDerWaalsContact C-N 3.34Å; V2412-F2414 PolarHBondContact O-N 2.98Å; V2412-V2415 PolarHBondContact O-N 3.14Å; V2412-I2416 HydrophobicContact CG1-CD1 3.81Å; V2412-I2416 WeakPolarHBondContact O-CD1 3.43Å; V2412-I2416 VanDerWaalsContact O-CG1 3.24Å; V2412-I2416 WeakPolarHBondContact O-CG1 3.34Å; V2412-I2416 PolarHBondContact O-N 3.29Å; V2412-I2416 VanDerWaalsContact O-N 3.07Å; V2412-L2515 HydrophobicContact CG1-CD2 4.33Å; V2412-L2515 HydrophobicContact CG2-CD2 4.44Å; V2412-L2535 HydrophobicContact CG1-CD1 4.08Å; V2412-L2535 HydrophobicContact CG1-CD2 4.48Å; V2412-L2535 HydrophobicContact CG1-CG 4.33Å; V2412-L2539 HydrophobicContact CG1-CB 4.45Å; V2412-L2539 HydrophobicContact CG1-CD1 4.13Å; V2412-L2539 HydrophobicContact CG1-CD2 4.4Å; V2412-L2539 HydrophobicContact CG1-CG 4.47Å |
| 2413 | T | 91.4 | Very high | 90.2 | Very high | 35 Ų | 35 | 23.8 Ų | 23.8 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 178 | -34.7 | 0 | 0 | 0 | 0 | 111.3 | P2409 G2410 A2411 V2415 I2416 D2417 L2535 | P2409-T2413 WeakPolarHBondContact O-CB 3.38Å; P2409-T2413 PolarHBondContact O-N 3.1Å; P2409-T2413 PolarHBondContact O-OG1 3.14Å; P2409-T2413 VanDerWaalsContact O-OG1 3.09Å; G2410-T2413 WeakPolarHBondContact CA-OG1 3.29Å; G2410-T2413 PolarHBondContact O-N 3.36Å; G2410-T2413 PolarHBondContact O-OG1 3.49Å; A2411-T2413 PolarHBondContact O-N 3.33Å; T2413-V2415 PolarHBondContact O-N 3.06Å; T2413-I2416 PolarHBondContact O-N 3.06Å; T2413-D2417 WeakPolarHBondContact O-CB 3.3Å; T2413-D2417 VanDerWaalsContact O-CG 3.22Å; T2413-D2417 PolarHBondContact O-N 3.11Å; T2413-D2417 VanDerWaalsContact O-OD2 3.13Å; T2413-L2535 HydrophobicContact CG2-CD1 4.46Å; T2413-L2535 HydrophobicContact CG2-CD2 3.38Å; T2413-L2535 WeakPolarHBondContact OG1-CD1 3.36Å |
| 2414 | F | 94 | Very high | 89.7 | Confident | 1.5 Ų | 1.5 | 22.9 Ų | 22.9 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 178.1 | 172.1 | -93.4 | 0 | 0 | 0 | 112.4 | W2283 W2377 W2379 F2382 L2400 G2410 A2411 V2412 D2417 L2418 | W2283-F2414 HydrophobicContact CH2-CE1 4.09Å; W2283-F2414 HydrophobicContact CH2-CZ 4.24Å; W2283-F2414 AromaticContact CZ2-CE1 3.79Å; W2283-F2414 HydrophobicContact CZ2-CE1 3.79Å; W2283-F2414 HydrophobicContact CZ2-CE2 4.26Å; W2283-F2414 AromaticContact CZ2-CZ 3.55Å; W2283-F2414 HydrophobicContact CZ2-CZ 3.55Å; W2377-F2414 HydrophobicContact CB-CB 4.39Å; W2377-F2414 HydrophobicContact CB-CD2 4.47Å; W2377-F2414 HydrophobicContact CE3-CB 3.86Å; W2377-F2414 HydrophobicContact CE3-CD1 4.14Å; W2377-F2414 HydrophobicContact CE3-CD2 4.29Å; W2377-F2414 AromaticContact CE3-CG 3.86Å; W2377-F2414 HydrophobicContact CE3-CG 3.86Å; W2377-F2414 HydrophobicContact CZ3-CD1 4.36Å; W2377-F2414 HydrophobicContact CZ3-CG 4.42Å; W2379-F2414 HydrophobicContact CB-CD2 3.72Å; W2379-F2414 HydrophobicContact CB-CE2 3.95Å; F2382-F2414 HydrophobicContact CB-CE2 3.86Å; F2382-F2414 HydrophobicContact CB-CZ 3.97Å; F2382-F2414 HydrophobicContact CD1-CE1 4.49Å; F2382-F2414 HydrophobicContact CD1-CE2 4.33Å; F2382-F2414 AromaticContact CD1-CZ 3.6Å; F2382-F2414 HydrophobicContact CD1-CZ 3.6Å; F2382-F2414 HydrophobicContact CD2-CZ 4.07Å; F2382-F2414 AromaticContact CE1-CZ 3.97Å; F2382-F2414 HydrophobicContact CE1-CZ 4.02Å; F2382-F2414 HydrophobicContact CE2-CZ 4.4Å; F2382-F2414 HydrophobicContact CG-CE2 4.04Å; F2382-F2414 AromaticContact CG-CZ 3.61Å; F2382-F2414 HydrophobicContact CG-CZ 3.61Å; F2382-F2414 HydrophobicContact CZ-CZ 4.39Å; L2400-F2414 HydrophobicContact CD1-CE1 4.12Å; L2400-F2414 HydrophobicContact CD2-CD1 3.95Å; L2400-F2414 HydrophobicContact CD2-CE1 3.99Å; G2410-F2414 VanDerWaalsContact O-CB 3.23Å; G2410-F2414 WeakPolarHBondContact O-CB 3.3Å; G2410-F2414 PolarHBondContact O-N 2.88Å; A2411-F2414 PolarHBondContact O-N 3.13Å; V2412-F2414 VanDerWaalsContact C-N 3.34Å; V2412-F2414 PolarHBondContact O-N 2.98Å; F2414-D2417 PolarHBondContact O-N 3.21Å; F2414-L2418 HydrophobicContact CD1-CD1 4.01Å; F2414-L2418 HydrophobicContact CE1-CD1 3.39Å; F2414-L2418 VanDerWaalsContact CE1-CD1 3.41Å; F2414-L2418 HydrophobicContact CE1-CG 4.33Å; F2414-L2418 HydrophobicContact CE2-CD1 4.38Å; F2414-L2418 HydrophobicContact CZ-CD1 3.63Å; F2414-L2418 HydrophobicContact CZ-CG 4.37Å; F2414-L2418 WeakPolarHBondContact O-CG 3.29Å; F2414-L2418 PolarHBondContact O-N 2.91Å |
| 2415 | V | 94 | Very high | 88.6 | Confident | 0.25 Ų | 0.25 | 25.2 Ų | 25.2 | 0% | 0.002 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L2400 V2404 A2411 V2412 T2413 D2417 L2418 L2419 T2511 L2515 | L2400-V2415 HydrophobicContact CB-CG2 4.42Å; L2400-V2415 HydrophobicContact CD1-CG2 4.12Å; L2400-V2415 HydrophobicContact CD2-CG2 4.03Å; L2400-V2415 HydrophobicContact CG-CG2 4.44Å; V2404-V2415 HydrophobicContact CG2-CG2 4.2Å; A2411-V2415 VanDerWaalsContact O-CG2 3.3Å; A2411-V2415 WeakPolarHBondContact O-CG2 3.47Å; A2411-V2415 PolarHBondContact O-N 3.13Å; V2412-V2415 PolarHBondContact O-N 3.14Å; T2413-V2415 PolarHBondContact O-N 3.06Å; V2415-D2417 VanDerWaalsContact C-N 3.32Å; V2415-D2417 PolarHBondContact O-N 3.26Å; V2415-L2418 PolarHBondContact O-N 3.2Å; V2415-L2419 HydrophobicContact CG1-CD1 3.97Å; V2415-L2419 HydrophobicContact CG1-CG 4.23Å; V2415-L2419 WeakPolarHBondContact O-CB 3.34Å; V2415-L2419 VanDerWaalsContact O-CG 3.27Å; V2415-L2419 WeakPolarHBondContact O-CG 3.32Å; V2415-L2419 PolarHBondContact O-N 2.88Å; V2415-T2511 HydrophobicContact CB-CG2 4.41Å; V2415-T2511 HydrophobicContact CG1-CG2 3.82Å; V2415-T2511 HydrophobicContact CG2-CG2 3.73Å; V2415-L2515 HydrophobicContact CB-CD1 4.48Å; V2415-L2515 HydrophobicContact CG1-CD1 3.73Å |
| 2416 | I | 91.9 | Very high | 87 | Confident | 1.5 Ų | 1.5 | 24.6 Ų | 24.6 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 178.2 | -61.9 | 165 | 0 | 0 | 0 | 110.7 | V2412 T2413 L2419 D2420 R2538 L2539 A2542 | V2412-I2416 HydrophobicContact CG1-CD1 3.81Å; V2412-I2416 WeakPolarHBondContact O-CD1 3.43Å; V2412-I2416 VanDerWaalsContact O-CG1 3.24Å; V2412-I2416 WeakPolarHBondContact O-CG1 3.34Å; V2412-I2416 PolarHBondContact O-N 3.29Å; V2412-I2416 VanDerWaalsContact O-N 3.07Å; T2413-I2416 PolarHBondContact O-N 3.06Å; I2416-L2419 PolarHBondContact O-N 3.25Å; I2416-D2420 WeakPolarHBondContact O-CB 3.25Å; I2416-D2420 VanDerWaalsContact O-CG 3.29Å; I2416-D2420 PolarHBondContact O-N 3.17Å; I2416-R2538 HydrophobicContact CD1-CB 4.49Å; I2416-R2538 HydrophobicContact CD1-CG 4.21Å; I2416-R2538 HydrophobicContact CG2-CG 4.11Å; I2416-R2538 VanDerWaalsContact CG2-NE 3.31Å; I2416-L2539 HydrophobicContact CD1-CB 4.19Å; I2416-L2539 HydrophobicContact CD1-CD1 4.35Å; I2416-A2542 HydrophobicContact CB-CB 4.47Å; I2416-A2542 HydrophobicContact CD1-CB 4.37Å; I2416-A2542 HydrophobicContact CG1-CB 3.98Å; I2416-A2542 HydrophobicContact CG2-CB 3.87Å |
| 2417 | D | 91.4 | Very high | 85.1 | Confident | 17 Ų | 17 | 19.3 Ų | 19.3 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.3 | -72.6 | -40.7 | 0 | 0 | 0 | 112.1 | W2379 T2413 F2414 V2415 D2420 H2421 R2538 | W2379-D2417 HydrophobicContact CB-CB 4.11Å; W2379-D2417 VanDerWaalsContact CD1-CB 3.45Å; W2379-D2417 VanDerWaalsContact CD1-CG 3.46Å; W2379-D2417 HydrophobicContact CD2-CB 3.84Å; W2379-D2417 HydrophobicContact CG-CB 3.53Å; W2379-D2417 PolarHBondContact NE1-OD2 2.96Å; T2413-D2417 WeakPolarHBondContact O-CB 3.3Å; T2413-D2417 VanDerWaalsContact O-CG 3.22Å; T2413-D2417 PolarHBondContact O-N 3.11Å; T2413-D2417 VanDerWaalsContact O-OD2 3.13Å; F2414-D2417 PolarHBondContact O-N 3.21Å; V2415-D2417 VanDerWaalsContact C-N 3.32Å; V2415-D2417 PolarHBondContact O-N 3.26Å; D2417-D2420 PolarHBondContact O-N 3.06Å; D2417-H2421 WeakPolarHBondContact O-CB 3.21Å; D2417-H2421 PolarHBondContact O-N 2.97Å; D2417-R2538 IonicContact OD1-CZ 3.08Å; D2417-R2538 VanDerWaalsContact OD1-CZ 3.3Å; D2417-R2538 IonicContact OD1-NH1 3.44Å; D2417-R2538 PolarHBondContact OD1-NH1 3.02Å; D2417-R2538 VanDerWaalsContact OD1-NH1 3.11Å; D2417-R2538 IonicContact OD1-NH2 3.1Å; D2417-R2538 PolarHBondContact OD1-NH2 3.08Å; D2417-R2538 IonicContact OD2-NH1 3.2Å |
| 2418 | L | 91.9 | Very high | 83.2 | Confident | 1.25 Ų | 1.25 | 24.3 Ų | 24.3 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.5 | -72.3 | 179.3 | 0 | 0 | 0 | 112.2 | W2379 F2382 L2386 F2414 V2415 H2421 F2422 L2503 | W2379-L2418 HydrophobicContact CB-CD2 4.22Å; W2379-L2418 HydrophobicContact CB-CG 4.38Å; W2379-L2418 HydrophobicContact CE3-CD2 4.44Å; F2382-L2418 HydrophobicContact CD1-CD1 4.01Å; F2382-L2418 HydrophobicContact CD1-CD2 4.23Å; F2382-L2418 HydrophobicContact CE1-CD1 4.16Å; L2386-L2418 HydrophobicContact CD1-CD2 4.1Å; F2414-L2418 HydrophobicContact CD1-CD1 4.01Å; F2414-L2418 HydrophobicContact CE1-CD1 3.39Å; F2414-L2418 VanDerWaalsContact CE1-CD1 3.41Å; F2414-L2418 HydrophobicContact CE1-CG 4.33Å; F2414-L2418 HydrophobicContact CE2-CD1 4.38Å; F2414-L2418 HydrophobicContact CZ-CD1 3.63Å; F2414-L2418 HydrophobicContact CZ-CG 4.37Å; F2414-L2418 WeakPolarHBondContact O-CG 3.29Å; F2414-L2418 PolarHBondContact O-N 2.91Å; V2415-L2418 PolarHBondContact O-N 3.2Å; L2418-H2421 PolarHBondContact O-N 3.05Å; L2418-F2422 HydrophobicContact CD2-CD2 4.32Å; L2418-F2422 HydrophobicContact CD2-CE2 4.02Å; L2418-F2422 PolarHBondContact O-N 3.07Å; L2418-L2503 HydrophobicContact CB-CD2 4.28Å |
| 2419 | L | 90.6 | Very high | 81.1 | Confident | 1.75 Ų | 1.75 | 27 Ų | 27 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -63.4 | -44.1 | 176.6 | -70 | 175.7 | 0 | 0 | 0 | 111 | V2415 I2416 H2421 V2423 L2424 L2508 L2512 L2515 V2546 | V2415-L2419 HydrophobicContact CG1-CD1 3.97Å; V2415-L2419 HydrophobicContact CG1-CG 4.23Å; V2415-L2419 WeakPolarHBondContact O-CB 3.34Å; V2415-L2419 VanDerWaalsContact O-CG 3.27Å; V2415-L2419 WeakPolarHBondContact O-CG 3.32Å; V2415-L2419 PolarHBondContact O-N 2.88Å; I2416-L2419 PolarHBondContact O-N 3.25Å; L2419-H2421 PolarHBondContact O-N 3.07Å; L2419-V2423 HydrophobicContact CD2-CB 4.03Å; L2419-V2423 HydrophobicContact CD2-CG1 4.32Å; L2419-V2423 HydrophobicContact CD2-CG2 3.98Å; L2419-V2423 CarbonylContact O-C 3.54Å; L2419-V2423 WeakPolarHBondContact O-CA 3.41Å; L2419-V2423 WeakPolarHBondContact O-CB 3.38Å; L2419-V2423 PolarHBondContact O-N 3.09Å; L2419-L2424 HydrophobicContact CB-CD1 3.91Å; L2419-L2424 HydrophobicContact CB-CG 4.06Å; L2419-L2424 WeakPolarHBondContact O-CB 3.39Å; L2419-L2424 PolarHBondContact O-N 3.17Å; L2419-L2508 HydrophobicContact CD2-CD1 4.45Å; L2419-L2512 HydrophobicContact CD1-CD2 3.68Å; L2419-L2512 HydrophobicContact CD2-CD2 4.07Å; L2419-L2512 HydrophobicContact CG-CD2 4.49Å; L2419-L2515 HydrophobicContact CD1-CD1 4.13Å; L2419-V2546 HydrophobicContact CD1-CG2 4.18Å |
| 2420 | D | 87 | Confident | 79.1 | Confident | 31.25 Ų | 31.25 | 27 Ų | 27 | 17% | 0.167 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -59.8 | -35.5 | 176.3 | -81.8 | -29.6 | 0 | 0 | 0 | 112.4 | I2416 D2417 F2494 R2538 R2545 | I2416-D2420 WeakPolarHBondContact O-CB 3.25Å; I2416-D2420 VanDerWaalsContact O-CG 3.29Å; I2416-D2420 PolarHBondContact O-N 3.17Å; D2417-D2420 PolarHBondContact O-N 3.06Å; D2420-F2494 HydrophobicContact CB-CE1 3.85Å; D2420-F2494 HydrophobicContact CB-CZ 4.31Å; D2420-F2494 WeakPolarHBondContact O-CD1 3.48Å; D2420-R2538 IonicContact OD2-CZ 3.23Å; D2420-R2538 IonicContact OD2-NE 2.78Å; D2420-R2538 IonicContact OD2-NH2 3.23Å; D2420-R2538 PolarHBondContact OD2-NH2 3.12Å; D2420-R2545 IonicContact OD1-CZ 3.41Å; D2420-R2545 VanDerWaalsContact OD1-CZ 3.3Å; D2420-R2545 IonicContact OD1-NH1 3.62Å; D2420-R2545 PolarHBondContact OD1-NH1 3.03Å; D2420-R2545 IonicContact OD1-NH2 3.1Å; D2420-R2545 PolarHBondContact OD1-NH2 3.12Å; D2420-R2545 VanDerWaalsContact OD1-NH2 3.11Å |
| 2421 | H | 85.1 | Confident | 77.1 | Confident | 67 Ų | 67 | 29.2 Ų | 29.2 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -82.9 | -41.6 | -175.9 | -173.5 | 79.1 | 0 | 0 | 0 | 113.6 | W2379 R2387 D2417 L2418 L2419 | W2379-H2421 HydrophobicContact CE3-CB 4.4Å; W2379-H2421 HydrophobicContact CH2-CB 4.12Å; W2379-H2421 AromaticContact CH2-CG 3.91Å; W2379-H2421 AromaticContact CH2-ND1 3.66Å; W2379-H2421 HydrophobicContact CZ3-CB 3.67Å; W2379-H2421 AromaticContact CZ3-CG 3.48Å; W2379-H2421 VanDerWaalsContact CZ3-CG 3.46Å; W2379-H2421 AromaticContact CZ3-ND1 3.63Å; R2387-H2421 PolarHBondContact NH2-NE2 3.16Å; D2417-H2421 WeakPolarHBondContact O-CB 3.21Å; D2417-H2421 PolarHBondContact O-N 2.97Å; L2418-H2421 PolarHBondContact O-N 3.05Å; L2419-H2421 PolarHBondContact O-N 3.07Å |
| 2422 | F | 87.1 | Confident | 74.9 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -105.2 | -37.1 | -173.6 | -67.3 | -68.9 | 0 | 0 | 0 | 114.7 | A2383 L2386 L2418 E2499 V2502 L2503 | A2383-F2422 HydrophobicContact CB-CE2 3.74Å; A2383-F2422 HydrophobicContact CB-CZ 3.68Å; L2386-F2422 HydrophobicContact CB-CZ 4.44Å; L2386-F2422 HydrophobicContact CD1-CD2 4.39Å; L2386-F2422 HydrophobicContact CD1-CE2 3.81Å; L2386-F2422 HydrophobicContact CD1-CZ 4.42Å; L2418-F2422 HydrophobicContact CD2-CD2 4.32Å; L2418-F2422 HydrophobicContact CD2-CE2 4.02Å; L2418-F2422 PolarHBondContact O-N 3.07Å; F2422-E2499 HydrophobicContact CD1-CB 4.26Å; F2422-E2499 HydrophobicContact CE1-CB 4.46Å; F2422-E2499 WeakPolarHBondContact CE1-OE2 3.32Å; F2422-V2502 HydrophobicContact CD1-CB 4.17Å; F2422-V2502 HydrophobicContact CD1-CG1 4Å; F2422-V2502 HydrophobicContact CE1-CB 4Å; F2422-V2502 HydrophobicContact CE1-CG1 3.48Å; F2422-V2502 VanDerWaalsContact CE1-CG1 3.46Å; F2422-V2502 HydrophobicContact CE1-CG2 4.3Å; F2422-V2502 HydrophobicContact CE2-CG1 4.49Å; F2422-V2502 HydrophobicContact CZ-CG1 3.79Å; F2422-L2503 HydrophobicContact CB-CB 3.81Å; F2422-L2503 HydrophobicContact CB-CD1 4.43Å; F2422-L2503 HydrophobicContact CB-CD2 4.16Å; F2422-L2503 HydrophobicContact CB-CG 4.45Å; F2422-L2503 HydrophobicContact CD2-CB 4.21Å; F2422-L2503 HydrophobicContact CD2-CD1 3.79Å; F2422-L2503 HydrophobicContact CD2-CD2 3.96Å; F2422-L2503 HydrophobicContact CD2-CG 4.48Å; F2422-L2503 HydrophobicContact CE2-CD1 4.39Å; F2422-L2503 HydrophobicContact CG-CB 4Å; F2422-L2503 HydrophobicContact CG-CD1 4.31Å; F2422-L2503 HydrophobicContact CG-CD2 4.37Å |
| 2423 | V | 85.4 | Confident | 73 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -108.8 | -50.3 | -162.7 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | L2419 P2425 R2498 L2503 E2505 L2549 | L2419-V2423 HydrophobicContact CD2-CB 4.03Å; L2419-V2423 HydrophobicContact CD2-CG1 4.32Å; L2419-V2423 HydrophobicContact CD2-CG2 3.98Å; L2419-V2423 CarbonylContact O-C 3.54Å; L2419-V2423 WeakPolarHBondContact O-CA 3.41Å; L2419-V2423 WeakPolarHBondContact O-CB 3.38Å; L2419-V2423 PolarHBondContact O-N 3.09Å; V2423-P2425 WeakPolarHBondContact O-CD 3.44Å; V2423-R2498 PolarHBondContact O-NE 2.9Å; V2423-R2498 VanDerWaalsContact O-NE 3.09Å; V2423-R2498 PolarHBondContact O-NH1 3.42Å; V2423-R2498 VanDerWaalsContact O-NH1 3.16Å; V2423-R2498 PolarHBondContact O-NH2 3.13Å; V2423-L2503 HydrophobicContact CG2-CB 4.36Å; V2423-L2503 HydrophobicContact CG2-CD2 3.83Å; V2423-L2503 HydrophobicContact CG2-CG 4.19Å; V2423-E2505 HydrophobicContact CG1-CB 3.98Å; V2423-L2549 HydrophobicContact CG1-CD2 3.55Å; V2423-L2549 VanDerWaalsContact CG1-CD2 3.47Å |
| 2424 | L | 82.5 | Confident | 71 | Confident | 5.25 Ų | 5.25 | 32.6 Ų | 32.6 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -83.2 | 130.3 | -169.1 | -61.6 | 177.7 | 0 | 0 | 0 | 110.6 | L2419 C2426 A2542 R2545 V2546 L2549 | L2419-L2424 HydrophobicContact CB-CD1 3.91Å; L2419-L2424 HydrophobicContact CB-CG 4.06Å; L2419-L2424 WeakPolarHBondContact O-CB 3.39Å; L2419-L2424 PolarHBondContact O-N 3.17Å; L2424-C2426 PolarHBondContact O-N 3.05Å; L2424-A2542 HydrophobicContact CD1-CB 4.45Å; L2424-R2545 VanDerWaalsContact CB-CZ 3.47Å; L2424-R2545 HydrophobicContact CD1-CB 4.15Å; L2424-R2545 HydrophobicContact CD2-CB 3.93Å; L2424-R2545 HydrophobicContact CG-CB 4.47Å; L2424-R2545 PolarHBondContact O-NH2 2.85Å; L2424-V2546 HydrophobicContact CD1-CG2 4.45Å; L2424-V2546 HydrophobicContact CD2-CB 4.44Å; L2424-V2546 HydrophobicContact CD2-CG2 3.79Å; L2424-L2549 HydrophobicContact CD2-CD2 4.41Å |
| 2425 | P | 69.2 | Low | 68.9 | Low | 47 Ų | 47 | 34.4 Ų | 34.4 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 139.9 | 175.6 | -0.6 | 5.1 | 0 | 0 | 0 | 111.1 | V2423 P2427 R2545 L2549 A3167 | V2423-P2425 WeakPolarHBondContact O-CD 3.44Å; P2425-P2427 VanDerWaalsContact O-CD 3.25Å; P2425-P2427 WeakPolarHBondContact O-CD 3.3Å; P2425-R2545 PolarHBondContact O-NH2 3.05Å; P2425-L2549 VanDerWaalsContact CD-CD1 3.41Å; P2425-L2549 HydrophobicContact CG-CD1 3.88Å; P2425-A3167 HydrophobicContact CB-CB 3.3Å; P2425-A3167 HydrophobicContact CG-CB 4.02Å |
| 2426 | C | 58.3 | Low | 66.9 | Low | 53.25 Ų | 53.25 | 35.1 Ų | 35.1 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 117.9 | 171.8 | -87.3 | 0 | 0 | 0 | 0 | 109 | L2424 N2428 F2494 | L2424-C2426 PolarHBondContact O-N 3.05Å; C2426-N2428 PolarHBondContact O-N 3.22Å; C2426-F2494 HydrophobicContact CB-CB 4.01Å; C2426-F2494 WeakPolarHBondContact SG-CB 3.22Å; C2426-F2494 WeakPolarHBondContact SG-CD2 3.22Å; C2426-F2494 WeakPolarHBondContact SG-CG 3.5Å |
| 2427 | P | 51 | Low | 65.1 | Low | 32 Ų | 32 | 37.5 Ų | 37.5 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | trans | -81.5 | 59.9 | -177.9 | 16.5 | -7.6 | 0 | 0 | 0 | 110.7 | P2425 G2429 T2430 G2433 A2436 A2437 | P2425-P2427 VanDerWaalsContact O-CD 3.25Å; P2425-P2427 WeakPolarHBondContact O-CD 3.3Å; P2427-G2429 PolarHBondContact O-N 3.44Å; P2427-T2430 VanDerWaalsContact CB-OG1 3.26Å; P2427-T2430 WeakPolarHBondContact CB-OG1 3.3Å; P2427-T2430 PolarHBondContact O-N 3.47Å; P2427-T2430 PolarHBondContact O-OG1 3.37Å; P2427-T2430 VanDerWaalsContact O-OG1 3.08Å; P2427-G2433 WeakPolarHBondContact CG-O 3.33Å; P2427-G2433 CarbonylContact O-C 3.56Å; P2427-G2433 WeakPolarHBondContact O-CA 3.31Å; P2427-A2436 HydrophobicContact CG-CB 4.13Å; P2427-A2437 HydrophobicContact CG-CB 4.25Å | ||
| 2428 | N | 45 | Very low | 63.3 | Low | 122.75 Ų | 122.75 | 39 Ų | 39 | 66% | 0.656 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 129.7 | 178 | -72.2 | -1.8 | 0 | 0 | 0 | 109.8 | C2426 | C2426-N2428 PolarHBondContact O-N 3.22Š|
| 2429 | G | 46.6 | Very low | 61.4 | Low | 78.25 Ų | 78.25 | 40.1 Ų | 40.1 | 81% | 0.807 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 0.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P2427 | P2427-G2429 PolarHBondContact O-N 3.44Š|
| 2430 | T | 45.4 | Very low | 59.7 | Low | 46.25 Ų | 46.25 | 40.6 Ų | 40.6 | 28% | 0.284 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -113.1 | 150.2 | 175 | 66 | 0 | 0 | 0 | 0 | 111.3 | P2427 L2432 G2433 A2434 D3026 T3163 L3166 | P2427-T2430 VanDerWaalsContact CB-OG1 3.26Å; P2427-T2430 WeakPolarHBondContact CB-OG1 3.3Å; P2427-T2430 PolarHBondContact O-N 3.47Å; P2427-T2430 PolarHBondContact O-OG1 3.37Å; P2427-T2430 VanDerWaalsContact O-OG1 3.08Å; T2430-L2432 VanDerWaalsContact C-N 3.27Å; T2430-L2432 PolarHBondContact O-N 3.19Å; T2430-G2433 CarbonylContact O-C 3.02Å; T2430-G2433 WeakPolarHBondContact O-CA 3.4Å; T2430-G2433 PolarHBondContact O-N 3.16Å; T2430-G2433 PolarHBondContact OG1-N 3.25Å; T2430-G2433 VanDerWaalsContact OG1-N 3.11Å; T2430-A2434 PolarHBondContact O-N 2.96Å; T2430-D3026 WeakPolarHBondContact CB-OD1 3.38Å; T2430-T3163 HydrophobicContact CG2-CG2 3.99Å; T2430-L3166 HydrophobicContact CG2-CD2 3.5Å; T2430-L3166 VanDerWaalsContact CG2-CD2 3.5Å |
| 2431 | S | 45.1 | Very low | 58.1 | Low | 58.75 Ų | 58.75 | 42.1 Ų | 42.1 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.1 | -36.8 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | G2433 A2434 A2435 D3026 | S2431-G2433 VanDerWaalsContact C-N 3.31Å; S2431-G2433 PolarHBondContact O-N 3.27Å; S2431-A2434 PolarHBondContact O-N 3.08Å; S2431-A2435 VanDerWaalsContact O-CB 3.24Å; S2431-A2435 WeakPolarHBondContact O-CB 3.29Å; S2431-A2435 PolarHBondContact O-N 3.3Å; S2431-D3026 PolarHBondContact N-OD1 3.45Å; S2431-D3026 PolarHBondContact OG-OD1 2.97Å |
| 2432 | L | 48 | Very low | 56.3 | Low | 59.5 Ų | 59.5 | 44.5 Ų | 44.5 | 31% | 0.312 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 174.3 | -169.4 | 72.2 | 0 | 0 | 0 | 112.1 | T2430 A2434 A2435 A2436 L2541 R2545 V3160 T3163 | T2430-L2432 VanDerWaalsContact C-N 3.27Å; T2430-L2432 PolarHBondContact O-N 3.19Å; L2432-A2434 VanDerWaalsContact C-N 3.33Å; L2432-A2435 CarbonylContact O-C 3.54Å; L2432-A2435 PolarHBondContact O-N 3.12Å; L2432-A2436 VanDerWaalsContact O-CB 3.25Å; L2432-A2436 WeakPolarHBondContact O-CB 3.38Å; L2432-A2436 PolarHBondContact O-N 3.29Å; L2432-L2541 HydrophobicContact CD1-CD2 3.46Å; L2432-L2541 VanDerWaalsContact CD1-CD2 3.49Å; L2432-L2541 HydrophobicContact CG-CD2 3.98Å; L2432-R2545 HydrophobicContact CD2-CG 4.25Å; L2432-V3160 HydrophobicContact CD2-CB 4.22Å; L2432-V3160 HydrophobicContact CD2-CG2 3.65Å; L2432-T3163 HydrophobicContact CB-CG2 3.95Å; L2432-T3163 HydrophobicContact CD2-CG2 4.23Å; L2432-T3163 WeakPolarHBondContact CD2-OG1 3.4Å |
| 2433 | G | 51.1 | Low | 54.4 | Low | 6.25 Ų | 6.25 | 45.4 Ų | 45.4 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | P2427 T2430 S2431 A2435 A2436 A2437 | P2427-G2433 WeakPolarHBondContact CG-O 3.33Å; P2427-G2433 CarbonylContact O-C 3.56Å; P2427-G2433 WeakPolarHBondContact O-CA 3.31Å; T2430-G2433 CarbonylContact O-C 3.02Å; T2430-G2433 WeakPolarHBondContact O-CA 3.4Å; T2430-G2433 PolarHBondContact O-N 3.16Å; T2430-G2433 PolarHBondContact OG1-N 3.25Å; T2430-G2433 VanDerWaalsContact OG1-N 3.11Å; S2431-G2433 VanDerWaalsContact C-N 3.31Å; S2431-G2433 PolarHBondContact O-N 3.27Å; G2433-A2435 VanDerWaalsContact C-N 3.3Å; G2433-A2435 PolarHBondContact O-N 2.98Å; G2433-A2436 PolarHBondContact O-N 3.11Å; G2433-A2437 VanDerWaalsContact O-CB 3.31Å; G2433-A2437 WeakPolarHBondContact O-CB 3.2Å; G2433-A2437 PolarHBondContact O-N 3.22Å |
| 2434 | A | 50.2 | Low | 52.8 | Low | 47 Ų | 47 | 50 Ų | 50 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T2430 S2431 L2432 A2437 A2438 L3051 | T2430-A2434 PolarHBondContact O-N 2.96Å; S2431-A2434 PolarHBondContact O-N 3.08Å; L2432-A2434 VanDerWaalsContact C-N 3.33Å; A2434-A2437 PolarHBondContact O-N 2.89Å; A2434-A2438 VanDerWaalsContact O-CB 3.22Å; A2434-A2438 WeakPolarHBondContact O-CB 3.26Å; A2434-A2438 PolarHBondContact O-N 3.26Å; A2434-L3051 HydrophobicContact CB-CD1 3.7Å; A2434-L3051 HydrophobicContact CB-CD2 3.81Å; A2434-L3051 HydrophobicContact CB-CG 4.44Å |
| 2435 | A | 49.8 | Very low | 51 | Low | 39.5 Ų | 39.5 | 52.3 Ų | 52.3 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S2431 L2432 G2433 A2438 A2439 | S2431-A2435 VanDerWaalsContact O-CB 3.24Å; S2431-A2435 WeakPolarHBondContact O-CB 3.29Å; S2431-A2435 PolarHBondContact O-N 3.3Å; L2432-A2435 CarbonylContact O-C 3.54Å; L2432-A2435 PolarHBondContact O-N 3.12Å; G2433-A2435 VanDerWaalsContact C-N 3.3Å; G2433-A2435 PolarHBondContact O-N 2.98Å; A2435-A2438 PolarHBondContact O-N 3.01Å; A2435-A2439 VanDerWaalsContact O-CB 3.27Å; A2435-A2439 WeakPolarHBondContact O-CB 3.3Å; A2435-A2439 PolarHBondContact O-N 3.1Å |
| 2436 | A | 52.6 | Low | 49.4 | Very low | 14.5 Ų | 14.5 | 55.4 Ų | 55.4 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P2427 L2432 G2433 A2439 A2440 L2541 | P2427-A2436 HydrophobicContact CG-CB 4.13Å; L2432-A2436 VanDerWaalsContact O-CB 3.25Å; L2432-A2436 WeakPolarHBondContact O-CB 3.38Å; L2432-A2436 PolarHBondContact O-N 3.29Å; G2433-A2436 PolarHBondContact O-N 3.11Å; A2436-A2439 PolarHBondContact O-N 2.99Å; A2436-A2440 VanDerWaalsContact O-CB 3.27Å; A2436-A2440 WeakPolarHBondContact O-CB 3.35Å; A2436-A2440 PolarHBondContact O-N 3.03Å; A2436-L2541 HydrophobicContact CB-CD2 3.8Å |
| 2437 | A | 54.6 | Low | 48.4 | Very low | 51 Ų | 51 | 55.9 Ų | 55.9 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P2427 G2433 A2434 A2440 S2441 | P2427-A2437 HydrophobicContact CG-CB 4.25Å; G2433-A2437 VanDerWaalsContact O-CB 3.31Å; G2433-A2437 WeakPolarHBondContact O-CB 3.2Å; G2433-A2437 PolarHBondContact O-N 3.22Å; A2434-A2437 PolarHBondContact O-N 2.89Å; A2437-A2440 PolarHBondContact O-N 3.1Å; A2437-S2441 VanDerWaalsContact O-CB 3.28Å; A2437-S2441 WeakPolarHBondContact O-CB 3.38Å; A2437-S2441 PolarHBondContact O-N 3.07Å; A2437-S2441 PolarHBondContact O-OG 3.22Å; A2437-S2441 VanDerWaalsContact O-OG 3.09Å |
| 2438 | A | 52.9 | Low | 47.4 | Very low | 49 Ų | 49 | 57.8 Ų | 57.8 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A2434 A2435 A2440 S2441 Y2442 | A2434-A2438 VanDerWaalsContact O-CB 3.22Å; A2434-A2438 WeakPolarHBondContact O-CB 3.26Å; A2434-A2438 PolarHBondContact O-N 3.26Å; A2435-A2438 PolarHBondContact O-N 3.01Å; A2438-A2440 VanDerWaalsContact C-N 3.32Å; A2438-A2440 PolarHBondContact O-N 3.04Å; A2438-S2441 WeakPolarHBondContact CA-OG 3.37Å; A2438-S2441 CarbonylContact O-C 3.24Å; A2438-S2441 PolarHBondContact O-N 3.17Å; A2438-S2441 PolarHBondContact O-OG 3.08Å; A2438-Y2442 WeakPolarHBondContact O-CA 3.38Å; A2438-Y2442 VanDerWaalsContact O-CB 3.3Å; A2438-Y2442 WeakPolarHBondContact O-CB 3.27Å; A2438-Y2442 PolarHBondContact O-N 3.15Å |
| 2439 | A | 51.7 | Low | 46.5 | Very low | 25.25 Ų | 25.25 | 55.7 Ų | 55.7 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2435 A2436 S2441 Y2442 A2443 L2537 R2538 L2541 | A2435-A2439 VanDerWaalsContact O-CB 3.27Å; A2435-A2439 WeakPolarHBondContact O-CB 3.3Å; A2435-A2439 PolarHBondContact O-N 3.1Å; A2436-A2439 PolarHBondContact O-N 2.99Å; A2439-S2441 VanDerWaalsContact C-N 3.33Å; A2439-Y2442 PolarHBondContact O-N 2.92Å; A2439-A2443 VanDerWaalsContact O-CB 3.26Å; A2439-A2443 WeakPolarHBondContact O-CB 3.37Å; A2439-A2443 PolarHBondContact O-N 3.2Å; A2439-L2537 HydrophobicContact CB-CD2 4.4Å; A2439-R2538 HydrophobicContact CB-CB 4.36Å; A2439-L2541 HydrophobicContact CB-CD1 4.35Å |
| 2440 | A | 55.2 | Low | 45.6 | Very low | 11.75 Ų | 11.75 | 58.2 Ų | 58.2 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2436 A2437 A2438 R2444 | A2436-A2440 VanDerWaalsContact O-CB 3.27Å; A2436-A2440 WeakPolarHBondContact O-CB 3.35Å; A2436-A2440 PolarHBondContact O-N 3.03Å; A2437-A2440 PolarHBondContact O-N 3.1Å; A2438-A2440 VanDerWaalsContact C-N 3.32Å; A2438-A2440 PolarHBondContact O-N 3.04Å; A2440-R2444 VanDerWaalsContact O-CB 3.26Å; A2440-R2444 WeakPolarHBondContact O-CB 3.34Å; A2440-R2444 PolarHBondContact O-N 3.19Å; A2440-R2444 VanDerWaalsContact O-N 3.12Å; A2440-R2444 PolarHBondContact O-NE 3.41Å |
| 2441 | S | 54 | Low | 44.5 | Very low | 62.25 Ų | 62.25 | 63 Ų | 63 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 176.9 | 5.1 | 0 | 0 | 0 | 0 | 111.9 | A2437 A2438 A2439 R2444 A2445 | A2437-S2441 VanDerWaalsContact O-CB 3.28Å; A2437-S2441 WeakPolarHBondContact O-CB 3.38Å; A2437-S2441 PolarHBondContact O-N 3.07Å; A2437-S2441 PolarHBondContact O-OG 3.22Å; A2437-S2441 VanDerWaalsContact O-OG 3.09Å; A2438-S2441 WeakPolarHBondContact CA-OG 3.37Å; A2438-S2441 CarbonylContact O-C 3.24Å; A2438-S2441 PolarHBondContact O-N 3.17Å; A2438-S2441 PolarHBondContact O-OG 3.08Å; A2439-S2441 VanDerWaalsContact C-N 3.33Å; S2441-R2444 WeakPolarHBondContact O-CB 3.34Å; S2441-R2444 PolarHBondContact O-N 3.06Å; S2441-A2445 WeakPolarHBondContact O-CB 3.34Å; S2441-A2445 PolarHBondContact O-N 3.22Å |
| 2442 | Y | 46 | Very low | 43.5 | Very low | 118 Ų | 118 | 65.5 Ų | 65.5 | 46% | 0.463 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | 178.1 | -161.9 | -97.1 | 0 | 0 | 0 | 111.6 | A2438 A2439 R2444 A2445 N2446 P2534 | A2438-Y2442 WeakPolarHBondContact O-CA 3.38Å; A2438-Y2442 VanDerWaalsContact O-CB 3.3Å; A2438-Y2442 WeakPolarHBondContact O-CB 3.27Å; A2438-Y2442 PolarHBondContact O-N 3.15Å; A2439-Y2442 PolarHBondContact O-N 2.92Å; Y2442-R2444 VanDerWaalsContact C-N 3.3Å; Y2442-R2444 PolarHBondContact O-N 3.22Å; Y2442-A2445 PolarHBondContact O-N 3.07Å; Y2442-A2445 VanDerWaalsContact O-N 3.14Å; Y2442-N2446 WeakPolarHBondContact O-CB 3.29Å; Y2442-N2446 PolarHBondContact O-N 3.18Å; Y2442-N2446 VanDerWaalsContact O-N 3.14Å; Y2442-P2534 HydrophobicContact CD1-CB 4.17Å; Y2442-P2534 HydrophobicContact CD1-CG 3.65Å; Y2442-P2534 HydrophobicContact CE1-CB 4.09Å; Y2442-P2534 HydrophobicContact CE1-CG 3.71Å; Y2442-P2534 HydrophobicContact CG-CB 4.42Å |
| 2443 | A | 48.6 | Very low | 42.3 | Very low | 22.25 Ų | 22.25 | 68.5 Ų | 68.5 | 18% | 0.184 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2439 S2447 P2534 L2535 | A2439-A2443 VanDerWaalsContact O-CB 3.26Å; A2439-A2443 WeakPolarHBondContact O-CB 3.37Å; A2439-A2443 PolarHBondContact O-N 3.2Å; A2443-S2447 PolarHBondContact O-N 3.43Å; A2443-S2447 PolarHBondContact O-OG 2.96Å; A2443-P2534 HydrophobicContact CB-CB 4.04Å; A2443-L2535 HydrophobicContact CB-CD2 3.92Å |
| 2444 | R | 51 | Low | 40.9 | Very low | 100 Ų | 100 | 74.7 Ų | 74.7 | 38% | 0.377 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 173.9 | -105.6 | 179.7 | -93 | 157.8 | -6.5 | 113 | S2236 A2440 S2441 Y2442 N2446 S2447 S2448 | S2236-R2444 VanDerWaalsContact CB-NH1 3.28Å; S2236-R2444 PolarHBondContact OG-NH1 2.86Å; A2440-R2444 VanDerWaalsContact O-CB 3.26Å; A2440-R2444 WeakPolarHBondContact O-CB 3.34Å; A2440-R2444 PolarHBondContact O-N 3.19Å; A2440-R2444 VanDerWaalsContact O-N 3.12Å; A2440-R2444 PolarHBondContact O-NE 3.41Å; S2441-R2444 WeakPolarHBondContact O-CB 3.34Å; S2441-R2444 PolarHBondContact O-N 3.06Å; Y2442-R2444 VanDerWaalsContact C-N 3.3Å; Y2442-R2444 PolarHBondContact O-N 3.22Å; R2444-N2446 VanDerWaalsContact C-N 3.3Å; R2444-N2446 PolarHBondContact O-N 2.89Å; R2444-S2447 WeakPolarHBondContact CA-OG 3.28Å; R2444-S2447 PolarHBondContact O-N 3.31Å; R2444-S2447 PolarHBondContact O-OG 2.98Å; R2444-S2447 VanDerWaalsContact O-OG 3.08Å; R2444-S2448 PolarHBondContact O-N 2.69Å; R2444-S2448 VanDerWaalsContact O-N 3.16Å; R2444-S2448 PolarHBondContact O-OG 3.12Å |
| 2445 | A | 44.4 | Very low | 39.7 | Very low | 54.25 Ų | 54.25 | 77.1 Ų | 77.1 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2441 Y2442 S2447 S2448 S2449 | S2441-A2445 WeakPolarHBondContact O-CB 3.34Å; S2441-A2445 PolarHBondContact O-N 3.22Å; Y2442-A2445 PolarHBondContact O-N 3.07Å; Y2442-A2445 VanDerWaalsContact O-N 3.14Å; A2445-S2447 VanDerWaalsContact C-N 3.27Å; A2445-S2447 PolarHBondContact O-N 3.33Å; A2445-S2448 CarbonylContact O-C 3.59Å; A2445-S2448 PolarHBondContact O-N 2.88Å; A2445-S2448 VanDerWaalsContact O-O 3.08Å; A2445-S2448 PolarHBondContact O-OG 2.89Å; A2445-S2448 VanDerWaalsContact O-OG 3.12Å; A2445-S2449 PolarHBondContact O-N 3.11Å; A2445-S2449 PolarHBondContact O-OG 3.01Å |
| 2446 | N | 36.2 | Very low | 38.4 | Very low | 112 Ų | 112 | 82.1 Ų | 82.1 | 60% | 0.599 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.7 | -12.4 | 177.1 | -107.1 | 19.8 | 0 | 0 | 0 | 113.8 | Y2442 R2444 S2448 | Y2442-N2446 WeakPolarHBondContact O-CB 3.29Å; Y2442-N2446 PolarHBondContact O-N 3.18Å; Y2442-N2446 VanDerWaalsContact O-N 3.14Å; R2444-N2446 VanDerWaalsContact C-N 3.3Å; R2444-N2446 PolarHBondContact O-N 2.89Å; N2446-S2448 VanDerWaalsContact C-N 3.35Å |
| 2447 | S | 37.5 | Very low | 37 | Very low | 64 Ų | 64 | 84.5 Ų | 84.5 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.6 | 170.8 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | V2373 A2443 R2444 A2445 | V2373-S2447 WeakPolarHBondContact CG2-O 3.41Å; A2443-S2447 PolarHBondContact O-N 3.43Å; A2443-S2447 PolarHBondContact O-OG 2.96Å; R2444-S2447 WeakPolarHBondContact CA-OG 3.28Å; R2444-S2447 PolarHBondContact O-N 3.31Å; R2444-S2447 PolarHBondContact O-OG 2.98Å; R2444-S2447 VanDerWaalsContact O-OG 3.08Å; A2445-S2447 VanDerWaalsContact C-N 3.27Å; A2445-S2447 PolarHBondContact O-N 3.33Å |
| 2448 | S | 29.8 | Very low | 35.5 | Very low | 71.75 Ų | 71.75 | 87.6 Ų | 87.6 | 50% | 0.502 | 56% | 0.563 | S | S | . | * | trans | -115.7 | 76.6 | -177 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | R2444 A2445 N2446 T2450 | R2444-S2448 PolarHBondContact O-N 2.69Å; R2444-S2448 VanDerWaalsContact O-N 3.16Å; R2444-S2448 PolarHBondContact O-OG 3.12Å; A2445-S2448 CarbonylContact O-C 3.59Å; A2445-S2448 PolarHBondContact O-N 2.88Å; A2445-S2448 VanDerWaalsContact O-O 3.08Å; A2445-S2448 PolarHBondContact O-OG 2.89Å; A2445-S2448 VanDerWaalsContact O-OG 3.12Å; N2446-S2448 VanDerWaalsContact C-N 3.35Å; S2448-T2450 PolarHBondContact O-N 3.03Å; S2448-T2450 VanDerWaalsContact O-N 3.13Å | ||
| 2449 | S | 26.7 | Very low | 34 | Very low | 79 Ų | 79 | 90.8 Ų | 90.8 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 110.2 | 171.7 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | N2370 A2445 I2451 | N2370-S2449 PolarHBondContact OD1-OG 3.02Å; A2445-S2449 PolarHBondContact O-N 3.11Å; A2445-S2449 PolarHBondContact O-OG 3.01Å; S2449-I2451 PolarHBondContact O-N 3.42Å |
| 2450 | T | 25.9 | Very low | 32.8 | Very low | 130.5 Ų | 130.5 | 97.1 Ų | 97.1 | 80% | 0.801 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 115.9 | 173.1 | -13.7 | 0 | 0 | 0 | 0 | 109.3 | S2448 P2452 | S2448-T2450 PolarHBondContact O-N 3.03Å; S2448-T2450 VanDerWaalsContact O-N 3.13Å; T2450-P2452 WeakPolarHBondContact O-CD 3.41Å |
| 2451 | I | 23.9 | Very low | 31.3 | Very low | 146.5 Ų | 146.5 | 104.7 Ų | 104.7 | 75% | 0.751 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 122.8 | 166.9 | -61.4 | 175.1 | 0 | 0 | 0 | 107.3 | S2449 C2453 | S2449-I2451 PolarHBondContact O-N 3.42Å; I2451-C2453 PolarHBondContact O-N 3.39Å |
| 2452 | P | 23 | Very low | 30 | Very low | 111.5 Ų | 111.5 | 105.2 Ų | 105.2 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | trans | -71.8 | 112.8 | 179.7 | 12.4 | -7.2 | 0 | 0 | 0 | 109.6 | T2450 T2454 | T2450-P2452 WeakPolarHBondContact O-CD 3.41Å; P2452-T2454 VanDerWaalsContact C-N 3.32Å; P2452-T2454 PolarHBondContact O-N 3.22Å | ||
| 2453 | C | 22.8 | Very low | 28.9 | Very low | 123.25 Ų | 123.25 | 104.2 Ų | 104.2 | 83% | 0.833 | 68% | 0.681 | S | S | * | * | trans | -67 | 113.3 | 168.4 | -8.1 | 0 | 0 | 0 | 0 | 109.1 | I2451 A2455 | I2451-C2453 PolarHBondContact O-N 3.39Å; C2453-A2455 VanDerWaalsContact C-N 3.29Å; C2453-A2455 PolarHBondContact O-N 3.02Å; C2453-A2455 VanDerWaalsContact O-N 3.16Å | ||
| 2454 | T | 22 | Very low | 27.8 | Very low | 135.5 Ų | 135.5 | 110.8 Ų | 110.8 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | trans | -64.6 | 96.9 | 172.5 | 38.9 | 0 | 0 | 0 | 0 | 109.9 | P2452 V2456 | P2452-T2454 VanDerWaalsContact C-N 3.32Å; P2452-T2454 PolarHBondContact O-N 3.22Å; T2454-V2456 PolarHBondContact O-N 3.13Å | ||
| 2455 | A | 25 | Very low | 26.6 | Very low | 97.5 Ų | 97.5 | 111.5 Ų | 111.5 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | -77.2 | 107.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | C2453 G2457 | C2453-A2455 VanDerWaalsContact C-N 3.29Å; C2453-A2455 PolarHBondContact O-N 3.02Å; C2453-A2455 VanDerWaalsContact O-N 3.16Å; A2455-G2457 PolarHBondContact O-N 3.04Å | ||
| 2456 | V | 23.5 | Very low | 25.7 | Very low | 143.5 Ų | 143.5 | 112.5 Ų | 112.5 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | trans | -63 | 126.9 | 169.4 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | T2454 | T2454-V2456 PolarHBondContact O-N 3.13Š| ||
| 2457 | G | 22.4 | Very low | 25.2 | Very low | 66.75 Ų | 66.75 | 113.1 Ų | 113.1 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | trans | -78.4 | 130.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A2455 | A2455-G2457 PolarHBondContact O-N 3.04Š| ||
| 2458 | S | 23.7 | Very low | 24.6 | Very low | 115.25 Ų | 115.25 | 115.2 Ų | 115.2 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -146.2 | 105.9 | 148.3 | -94.8 | 0 | 0 | 0 | 0 | 110.7 | I2460 | S2458-I2460 PolarHBondContact O-N 3Å; S2458-I2460 VanDerWaalsContact O-N 3.16Å | ||
| 2459 | S | 21.4 | Very low | 24.4 | Very low | 116.5 Ų | 116.5 | 115.8 Ų | 115.8 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -59.3 | 115.9 | 169.4 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2460 | I | 26.7 | Very low | 24.4 | Very low | 157.5 Ų | 157.5 | 117.2 Ų | 117.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -130.6 | 104.6 | 153.5 | -58.4 | -179.4 | 0 | 0 | 0 | 107.2 | S2458 G2462 | S2458-I2460 PolarHBondContact O-N 3Å; S2458-I2460 VanDerWaalsContact O-N 3.16Å; I2460-G2462 PolarHBondContact O-N 2.76Å | ||
| 2461 | N | 23.1 | Very low | 24.3 | Very low | 171.75 Ų | 171.75 | 116.3 Ų | 116.3 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | -64.4 | 122.2 | 164.8 | -84 | -21.3 | 0 | 0 | 0 | 109 | ||||
| 2462 | G | 25.6 | Very low | 24.3 | Very low | 72.5 Ų | 72.5 | 114.4 Ų | 114.4 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 113.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | I2460 | I2460-G2462 PolarHBondContact O-N 2.76Š| ||
| 2463 | A | 23.9 | Very low | 24.4 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -68.7 | 150.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2465 | A2463-S2465 PolarHBondContact O-N 3.13Š| ||
| 2464 | N | 25 | Very low | 24.5 | Very low | 160.75 Ų | 160.75 | 113.3 Ų | 113.3 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 49.6 | 110.4 | 145.7 | -111.4 | 20.2 | 0 | 0 | 0 | 118.5 | ||||
| 2465 | S | 25 | Very low | 24.8 | Very low | 114.75 Ų | 114.75 | 112.5 Ų | 112.5 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | -171.1 | 120.4 | 138.9 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | A2463 S2467 | A2463-S2465 PolarHBondContact O-N 3.13Å; S2465-S2467 PolarHBondContact O-N 3.18Å | ||
| 2466 | G | 25.6 | Very low | 24.9 | Very low | 76.75 Ų | 76.75 | 111.6 Ų | 111.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -122.6 | 103.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | S2468 | G2466-S2468 PolarHBondContact O-N 3.21Š| ||
| 2467 | S | 25.7 | Very low | 25 | Very low | 122.75 Ų | 122.75 | 109.9 Ų | 109.9 | 86% | 0.858 | 75% | 0.753 | S | S | * | * | trans | -77.9 | 111.3 | 163.3 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | S2465 S2469 | S2465-S2467 PolarHBondContact O-N 3.18Å; S2467-S2469 PolarHBondContact O-N 3.15Å | ||
| 2468 | S | 25.9 | Very low | 25.1 | Very low | 109 Ų | 109 | 112 Ų | 112 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -96.9 | 107.2 | 173.5 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | G2466 V2470 | G2466-S2468 PolarHBondContact O-N 3.21Å; S2468-V2470 PolarHBondContact O-N 3.49Å | ||
| 2469 | S | 25.7 | Very low | 25.2 | Very low | 83.25 Ų | 83.25 | 110.2 Ų | 110.2 | 58% | 0.582 | 73% | 0.732 | S | S | * | * | trans | -78.1 | 127.2 | 169.6 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | S2467 N2471 | S2467-S2469 PolarHBondContact O-N 3.15Å; S2469-N2471 PolarHBondContact O-N 3.06Å | ||
| 2470 | V | 25.4 | Very low | 25.4 | Very low | 110.25 Ų | 110.25 | 109.9 Ų | 109.9 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | trans | -87.7 | 106.5 | 168.2 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | S2468 V2472 | S2468-V2470 PolarHBondContact O-N 3.49Å; V2470-V2472 HydrophobicContact CG1-CG2 4.28Å; V2470-V2472 PolarHBondContact O-N 2.81Å | ||
| 2471 | N | 24.2 | Very low | 25.3 | Very low | 111.75 Ų | 111.75 | 109.7 Ų | 109.7 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | trans | -76.4 | 115.1 | 168.5 | -80 | -0 | 0 | 0 | 0 | 108.8 | S2469 S2473 N2478 N2480 | S2469-N2471 PolarHBondContact O-N 3.06Å; N2471-S2473 PolarHBondContact O-N 3.41Å; N2471-N2478 PolarHBondContact ND2-ND2 3.23Å; N2471-N2480 PolarHBondContact OD1-OD1 3.05Å | ||
| 2472 | V | 25.3 | Very low | 25.4 | Very low | 105.5 Ų | 105.5 | 107 Ų | 107 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | -100.4 | 104.2 | 164.4 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | V2470 V2474 | V2470-V2472 HydrophobicContact CG1-CG2 4.28Å; V2470-V2472 PolarHBondContact O-N 2.81Å; V2472-V2474 HydrophobicContact CG1-CG2 4.13Å; V2472-V2474 PolarHBondContact O-N 3.27Å; V2472-V2474 VanDerWaalsContact O-N 3.15Å | ||
| 2473 | S | 23.4 | Very low | 25.4 | Very low | 101.5 Ų | 101.5 | 109.6 Ų | 109.6 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | trans | -84.8 | 115 | 173.3 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | N2471 S2475 | N2471-S2473 PolarHBondContact O-N 3.41Å; S2473-S2475 PolarHBondContact O-N 3.35Å | ||
| 2474 | V | 26.6 | Very low | 25.5 | Very low | 109.75 Ų | 109.75 | 108.2 Ų | 108.2 | 67% | 0.665 | 70% | 0.699 | S | S | * | * | trans | -105.6 | 117.6 | 162.2 | 179.2 | 0 | 0 | 0 | 0 | 106.7 | V2472 G2476 V2477 | V2472-V2474 HydrophobicContact CG1-CG2 4.13Å; V2472-V2474 PolarHBondContact O-N 3.27Å; V2472-V2474 VanDerWaalsContact O-N 3.15Å; V2474-G2476 PolarHBondContact O-N 3.02Å; V2474-V2477 PolarHBondContact N-O 3.06Å; V2474-V2477 PolarHBondContact O-N 2.86Å | ||
| 2475 | S | 26.9 | Very low | 25.5 | Very low | 120.25 Ų | 120.25 | 103.9 Ų | 103.9 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -31.4 | 97.8 | 178.9 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | S2473 V2477 | S2473-S2475 PolarHBondContact O-N 3.35Å; S2475-V2477 PolarHBondContact O-N 2.89Å |
| 2476 | G | 28.4 | Very low | 25.5 | Very low | 77 Ų | 77 | 105.9 Ų | 105.9 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.2 | 5.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | V2474 N2478 | V2474-G2476 PolarHBondContact O-N 3.02Å; G2476-N2478 VanDerWaalsContact C-N 3.31Å; G2476-N2478 PolarHBondContact O-N 3.01Å |
| 2477 | V | 25.7 | Very low | 25.3 | Very low | 108.75 Ų | 108.75 | 105.5 Ų | 105.5 | 66% | 0.659 | 70% | 0.696 | S | S | * | * | trans | -114 | 114.4 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | V2474 S2475 V2479 | V2474-V2477 PolarHBondContact N-O 3.06Å; V2474-V2477 PolarHBondContact O-N 2.86Å; S2475-V2477 PolarHBondContact O-N 2.89Å; V2477-V2479 VanDerWaalsContact C-N 3.3Å; V2477-V2479 HydrophobicContact CG1-CG2 4.1Å; V2477-V2479 PolarHBondContact O-N 2.92Å | ||
| 2478 | N | 24.4 | Very low | 25.3 | Very low | 110.75 Ų | 110.75 | 102.4 Ų | 102.4 | 59% | 0.592 | 68% | 0.683 | S | S | * | * | trans | -90 | 102.7 | 177 | -159.9 | 35.2 | 0 | 0 | 0 | 108.5 | N2471 G2476 N2480 | N2471-N2478 PolarHBondContact ND2-ND2 3.23Å; G2476-N2478 VanDerWaalsContact C-N 3.31Å; G2476-N2478 PolarHBondContact O-N 3.01Å; N2478-N2480 VanDerWaalsContact C-N 3.32Å; N2478-N2480 PolarHBondContact ND2-OD1 3.04Å; N2478-N2480 PolarHBondContact O-N 3.38Å | ||
| 2479 | V | 25.4 | Very low | 25.4 | Very low | 77.25 Ų | 77.25 | 103 Ų | 103 | 47% | 0.468 | 69% | 0.685 | S | S | . | * | trans | -94.9 | 108.3 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | V2477 Y2481 | V2477-V2479 VanDerWaalsContact C-N 3.3Å; V2477-V2479 HydrophobicContact CG1-CG2 4.1Å; V2477-V2479 PolarHBondContact O-N 2.92Å; V2479-Y2481 HydrophobicContact CB-CE2 4.45Å; V2479-Y2481 HydrophobicContact CG1-CD2 4.46Å; V2479-Y2481 HydrophobicContact CG1-CE1 4.38Å; V2479-Y2481 HydrophobicContact CG1-CE2 3.93Å; V2479-Y2481 PolarHBondContact O-N 3.45Å; V2479-Y2481 VanDerWaalsContact O-N 3.08Å | ||
| 2480 | N | 24.5 | Very low | 25.4 | Very low | 110.75 Ų | 110.75 | 104.5 Ų | 104.5 | 59% | 0.592 | 69% | 0.691 | S | S | * | * | trans | -85.6 | 112.8 | 179.6 | -124.5 | 37.8 | 0 | 0 | 0 | 109.3 | N2471 N2478 P2482 | N2471-N2480 PolarHBondContact OD1-OD1 3.05Å; N2478-N2480 VanDerWaalsContact C-N 3.32Å; N2478-N2480 PolarHBondContact ND2-OD1 3.04Å; N2478-N2480 PolarHBondContact O-N 3.38Å; N2480-P2482 WeakPolarHBondContact O-CD 3.27Å | ||
| 2481 | Y | 25.9 | Very low | 25.5 | Very low | 152.75 Ų | 152.75 | 104 Ų | 104 | 60% | 0.599 | 69% | 0.692 | S | S | * | * | trans | -86.9 | 122.5 | 171.4 | -67.4 | -82.3 | 0 | 0 | 0 | 109.7 | V2479 V2483 | V2479-Y2481 HydrophobicContact CB-CE2 4.45Å; V2479-Y2481 HydrophobicContact CG1-CD2 4.46Å; V2479-Y2481 HydrophobicContact CG1-CE1 4.38Å; V2479-Y2481 HydrophobicContact CG1-CE2 3.93Å; V2479-Y2481 PolarHBondContact O-N 3.45Å; V2479-Y2481 VanDerWaalsContact O-N 3.08Å; Y2481-V2483 PolarHBondContact O-N 3.15Å | ||
| 2482 | P | 24.8 | Very low | 25.9 | Very low | 115.5 Ų | 115.5 | 102 Ų | 102 | 75% | 0.75 | 68% | 0.684 | S | S | * | * | trans | -69.3 | 115.9 | 171.8 | 26.6 | -30.1 | 0 | 0 | 0 | 109.2 | N2480 G2484 | N2480-P2482 WeakPolarHBondContact O-CD 3.27Å; P2482-G2484 VanDerWaalsContact C-N 3.33Å; P2482-G2484 PolarHBondContact O-N 3.19Å; P2482-G2484 VanDerWaalsContact O-N 3.15Å | ||
| 2483 | V | 25.5 | Very low | 26 | Very low | 126.5 Ų | 126.5 | 102.1 Ų | 102.1 | 77% | 0.767 | 69% | 0.689 | S | S | * | * | trans | -71.4 | 89.8 | 167.9 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | Y2481 G2485 | Y2481-V2483 PolarHBondContact O-N 3.15Å; V2483-G2485 PolarHBondContact O-N 3.4Å | ||
| 2484 | G | 26.6 | Very low | 26.6 | Very low | 66 Ų | 66 | 101.9 Ų | 101.9 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | trans | -65.4 | 125.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P2482 V2486 | P2482-G2484 VanDerWaalsContact C-N 3.33Å; P2482-G2484 PolarHBondContact O-N 3.19Å; P2482-G2484 VanDerWaalsContact O-N 3.15Å; G2484-V2486 PolarHBondContact O-N 2.72Å | ||
| 2485 | G | 24 | Very low | 27 | Very low | 71 Ų | 71 | 100.3 Ų | 100.3 | 73% | 0.732 | 67% | 0.669 | S | S | * | * | trans | -56.2 | 136.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V2483 G2487 | V2483-G2485 PolarHBondContact O-N 3.4Å; G2485-G2487 VanDerWaalsContact C-N 3.31Å; G2485-G2487 PolarHBondContact O-N 3.02Å | ||
| 2486 | V | 25 | Very low | 27.6 | Very low | 156 Ų | 156 | 101 Ų | 101 | 95% | 0.945 | 67% | 0.669 | S | S | * | * | trans | -16.7 | 77.9 | 166 | -167.9 | 0 | 0 | 0 | 0 | 113.3 | G2484 | G2484-V2486 PolarHBondContact O-N 2.72Š| ||
| 2487 | G | 23 | Very low | 28.4 | Very low | 68.25 Ų | 68.25 | 104.6 Ų | 104.6 | 70% | 0.704 | 66% | 0.663 | S | S | * | * | trans | -120.3 | 113.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | G2485 | G2485-G2487 VanDerWaalsContact C-N 3.31Å; G2485-G2487 PolarHBondContact O-N 3.02Å | ||
| 2488 | G | 23.9 | Very low | 30 | Very low | 58.25 Ų | 58.25 | 103.4 Ų | 103.4 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | trans | -33 | 144.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T2490 | G2488-T2490 PolarHBondContact O-N 3.29Š| ||
| 2489 | P | 28.4 | Very low | 31.9 | Very low | 122.5 Ų | 122.5 | 101.2 Ų | 101.2 | 80% | 0.795 | 63% | 0.632 | S | S | * | * | trans | -62.6 | 110.3 | -179.2 | 27 | -31.6 | 0 | 0 | 0 | 108.8 | S2491 | P2489-S2491 PolarHBondContact O-N 3Š| ||
| 2490 | T | 26.9 | Very low | 33.8 | Very low | 114.25 Ų | 114.25 | 99 Ų | 99 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | trans | -67.4 | 82.5 | 164.4 | 47.8 | 0 | 0 | 0 | 0 | 106.9 | G2488 V2492 | G2488-T2490 PolarHBondContact O-N 3.29Å; T2490-V2492 VanDerWaalsContact C-N 3.3Å; T2490-V2492 PolarHBondContact O-N 3.15Å | ||
| 2491 | S | 27.4 | Very low | 36 | Very low | 100.5 Ų | 100.5 | 96.3 Ų | 96.3 | 70% | 0.703 | 60% | 0.604 | S | S | * | * | trans | -58.2 | 100.9 | 171.1 | 77.8 | 0 | 0 | 0 | 0 | 106.8 | R2239 P2489 S2493 | R2239-S2491 PolarHBondContact NH1-O 2.86Å; P2489-S2491 PolarHBondContact O-N 3Å; S2491-S2493 PolarHBondContact O-N 3.21Å | ||
| 2492 | V | 31.6 | Very low | 38.6 | Very low | 69.25 Ų | 69.25 | 89.4 Ų | 89.4 | 42% | 0.42 | 58% | 0.578 | S | S | . | * | trans | -59.7 | 107.2 | 164.9 | -171.9 | 0 | 0 | 0 | 0 | 104.8 | T2490 F2494 | T2490-V2492 VanDerWaalsContact C-N 3.3Å; T2490-V2492 PolarHBondContact O-N 3.15Å; V2492-F2494 VanDerWaalsContact C-N 3.32Å; V2492-F2494 HydrophobicContact CB-CD1 4.36Å; V2492-F2494 HydrophobicContact CB-CD2 4.12Å; V2492-F2494 HydrophobicContact CB-CE1 4.17Å; V2492-F2494 HydrophobicContact CB-CE2 3.8Å; V2492-F2494 HydrophobicContact CB-CG 4.37Å; V2492-F2494 HydrophobicContact CB-CZ 4.02Å; V2492-F2494 HydrophobicContact CG1-CD1 4.11Å; V2492-F2494 HydrophobicContact CG1-CD2 3.82Å; V2492-F2494 VanDerWaalsContact CG1-CD2 3.47Å; V2492-F2494 HydrophobicContact CG1-CE1 3.92Å; V2492-F2494 VanDerWaalsContact CG1-CE1 3.46Å; V2492-F2494 HydrophobicContact CG1-CE2 3.61Å; V2492-F2494 HydrophobicContact CG1-CG 4.01Å; V2492-F2494 HydrophobicContact CG1-CZ 3.87Å; V2492-F2494 HydrophobicContact CG2-CE2 4.35Å; V2492-F2494 HydrophobicContact CG2-CZ 4.04Å; V2492-F2494 WeakPolarHBondContact O-CD2 3.23Å; V2492-F2494 PolarHBondContact O-N 3.35Å | ||
| 2493 | S | 28.3 | Very low | 41.4 | Very low | 107.5 Ų | 107.5 | 84 Ų | 84 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | trans | -67.3 | 88 | 169.2 | -176.7 | 0 | 0 | 0 | 0 | 106.1 | S2491 S2495 | S2491-S2493 PolarHBondContact O-N 3.21Å; S2493-S2495 PolarHBondContact O-N 3.1Å | ||
| 2494 | F | 35.1 | Very low | 44.1 | Very low | 97.5 Ų | 97.5 | 78.5 Ų | 78.5 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | trans | -61.6 | 124.8 | 167.1 | -67.8 | -78.6 | 0 | 0 | 0 | 106.7 | D2420 C2426 V2492 T2496 | D2420-F2494 HydrophobicContact CB-CE1 3.85Å; D2420-F2494 HydrophobicContact CB-CZ 4.31Å; D2420-F2494 WeakPolarHBondContact O-CD1 3.48Å; C2426-F2494 HydrophobicContact CB-CB 4.01Å; C2426-F2494 WeakPolarHBondContact SG-CB 3.22Å; C2426-F2494 WeakPolarHBondContact SG-CD2 3.22Å; C2426-F2494 WeakPolarHBondContact SG-CG 3.5Å; V2492-F2494 VanDerWaalsContact C-N 3.32Å; V2492-F2494 HydrophobicContact CB-CD1 4.36Å; V2492-F2494 HydrophobicContact CB-CD2 4.12Å; V2492-F2494 HydrophobicContact CB-CE1 4.17Å; V2492-F2494 HydrophobicContact CB-CE2 3.8Å; V2492-F2494 HydrophobicContact CB-CG 4.37Å; V2492-F2494 HydrophobicContact CB-CZ 4.02Å; V2492-F2494 HydrophobicContact CG1-CD1 4.11Å; V2492-F2494 HydrophobicContact CG1-CD2 3.82Å; V2492-F2494 VanDerWaalsContact CG1-CD2 3.47Å; V2492-F2494 HydrophobicContact CG1-CE1 3.92Å; V2492-F2494 VanDerWaalsContact CG1-CE1 3.46Å; V2492-F2494 HydrophobicContact CG1-CE2 3.61Å; V2492-F2494 HydrophobicContact CG1-CG 4.01Å; V2492-F2494 HydrophobicContact CG1-CZ 3.87Å; V2492-F2494 HydrophobicContact CG2-CE2 4.35Å; V2492-F2494 HydrophobicContact CG2-CZ 4.04Å; V2492-F2494 WeakPolarHBondContact O-CD2 3.23Å; V2492-F2494 PolarHBondContact O-N 3.35Å; F2494-T2496 VanDerWaalsContact C-N 3.31Å; F2494-T2496 PolarHBondContact O-N 3.16Å; F2494-T2496 VanDerWaalsContact O-N 3.14Å | ||
| 2495 | S | 34.8 | Very low | 46.8 | Very low | 76.5 Ų | 76.5 | 75.7 Ų | 75.7 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | trans | -57.7 | 110.9 | 165.5 | 175 | 0 | 0 | 0 | 0 | 106.9 | S2493 K2497 | S2493-S2495 PolarHBondContact O-N 3.1Å; S2495-K2497 PolarHBondContact O-N 3.13Å; S2495-K2497 VanDerWaalsContact O-N 3.15Å; S2495-K2497 WeakPolarHBondContact OG-CB 3.47Å; S2495-K2497 PolarHBondContact OG-N 3.16Å; S2495-K2497 PolarHBondContact OG-O 3.2Å; S2495-K2497 VanDerWaalsContact OG-O 3.08Å | ||
| 2496 | T | 39.3 | Very low | 49.8 | Very low | 134 Ų | 134 | 73.3 Ų | 73.3 | 82% | 0.822 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -67.6 | -11.2 | 172.8 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | F2494 R2498 | F2494-T2496 VanDerWaalsContact C-N 3.31Å; F2494-T2496 PolarHBondContact O-N 3.16Å; F2494-T2496 VanDerWaalsContact O-N 3.14Å; T2496-R2498 VanDerWaalsContact C-N 3.32Å; T2496-R2498 PolarHBondContact O-N 2.99Å; T2496-R2498 VanDerWaalsContact O-N 3.15Å |
| 2497 | K | 45.9 | Very low | 52.8 | Low | 153.75 Ų | 153.75 | 66.2 Ų | 66.2 | 67% | 0.668 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -79.9 | 99.9 | 173.1 | -136.6 | 178.6 | -178 | -176 | 0 | 108.2 | S2495 E2499 | S2495-K2497 PolarHBondContact O-N 3.13Å; S2495-K2497 VanDerWaalsContact O-N 3.15Å; S2495-K2497 WeakPolarHBondContact OG-CB 3.47Å; S2495-K2497 PolarHBondContact OG-N 3.16Å; S2495-K2497 PolarHBondContact OG-O 3.2Å; S2495-K2497 VanDerWaalsContact OG-O 3.08Å; K2497-E2499 PolarHBondContact O-N 3.26Å |
| 2498 | R | 58.8 | Low | 55.9 | Low | 81.75 Ų | 81.75 | 63.2 Ų | 63.2 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | trans | -52.6 | 124.1 | 165.7 | -77.6 | -172.1 | -176.9 | -173.3 | 4.8 | 108.5 | V2423 T2496 F2500 E2505 | V2423-R2498 PolarHBondContact O-NE 2.9Å; V2423-R2498 VanDerWaalsContact O-NE 3.09Å; V2423-R2498 PolarHBondContact O-NH1 3.42Å; V2423-R2498 VanDerWaalsContact O-NH1 3.16Å; V2423-R2498 PolarHBondContact O-NH2 3.13Å; T2496-R2498 VanDerWaalsContact C-N 3.32Å; T2496-R2498 PolarHBondContact O-N 2.99Å; T2496-R2498 VanDerWaalsContact O-N 3.15Å; R2498-F2500 PolarHBondContact O-N 3.29Å; R2498-F2500 VanDerWaalsContact O-N 3.09Å; R2498-E2505 IonicContact CZ-OE2 2.65Å; R2498-E2505 IonicContact NH1-OE1 3.07Å; R2498-E2505 PolarHBondContact NH1-OE1 3.1Å; R2498-E2505 IonicContact NH1-OE2 3.48Å; R2498-E2505 PolarHBondContact NH1-OE2 3.36Å; R2498-E2505 IonicContact NH2-OE2 3.96Å; R2498-E2505 PolarHBondContact NH2-OE2 3Å | ||
| 2499 | E | 64.8 | Low | 59 | Low | 66 Ų | 66 | 62.2 Ų | 62.2 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | trans | -79.4 | 65.7 | 172.1 | -64.7 | 176.9 | -173.2 | 0 | 0 | 108.4 | R2387 F2422 K2497 T2501 V2502 L2503 | R2387-E2499 IonicContact CZ-OE1 3.92Å; R2387-E2499 IonicContact CZ-OE2 3.15Å; R2387-E2499 IonicContact NE-OE1 3.44Å; R2387-E2499 PolarHBondContact NE-OE1 3.16Å; R2387-E2499 IonicContact NE-OE2 3.27Å; R2387-E2499 PolarHBondContact NE-OE2 3.12Å; R2387-E2499 IonicContact NH2-OE1 2.99Å; R2387-E2499 PolarHBondContact NH2-OE1 2.93Å; R2387-E2499 IonicContact NH2-OE2 3.18Å; F2422-E2499 HydrophobicContact CD1-CB 4.26Å; F2422-E2499 HydrophobicContact CE1-CB 4.46Å; F2422-E2499 WeakPolarHBondContact CE1-OE2 3.32Å; K2497-E2499 PolarHBondContact O-N 3.26Å; E2499-T2501 PolarHBondContact O-N 3.21Å; E2499-T2501 VanDerWaalsContact O-N 3.1Å; E2499-V2502 HydrophobicContact CB-CB 4.1Å; E2499-V2502 HydrophobicContact CB-CG2 3.81Å; E2499-V2502 WeakPolarHBondContact O-CA 3.22Å; E2499-V2502 VanDerWaalsContact O-CB 3.3Å; E2499-V2502 WeakPolarHBondContact O-CB 3.35Å; E2499-V2502 PolarHBondContact O-N 3.22Å; E2499-L2503 PolarHBondContact O-N 3.1Å | ||
| 2500 | F | 65 | Low | 61.9 | Low | 29.5 Ų | 29.5 | 59 Ų | 59 | 13% | 0.129 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.2 | -174.3 | -174.8 | -86.9 | 0 | 0 | 0 | 112.9 | R2498 V2502 L2503 N2504 E2505 Y2506 L2729 E2733 | R2498-F2500 PolarHBondContact O-N 3.29Å; R2498-F2500 VanDerWaalsContact O-N 3.09Å; F2500-V2502 VanDerWaalsContact C-N 3.27Å; F2500-V2502 PolarHBondContact O-N 3.2Å; F2500-V2502 VanDerWaalsContact O-N 3.14Å; F2500-L2503 CarbonylContact O-C 3.58Å; F2500-L2503 PolarHBondContact O-N 3.26Å; F2500-N2504 WeakPolarHBondContact CA-OD1 3.45Å; F2500-N2504 HydrophobicContact CD1-CB 4.15Å; F2500-N2504 VanDerWaalsContact CD1-ND2 3.32Å; F2500-N2504 WeakPolarHBondContact CD1-ND2 3.47Å; F2500-N2504 HydrophobicContact CD2-CB 4Å; F2500-N2504 WeakPolarHBondContact CD2-OD1 3.21Å; F2500-N2504 HydrophobicContact CE1-CB 3.99Å; F2500-N2504 WeakPolarHBondContact CE1-ND2 3.44Å; F2500-N2504 HydrophobicContact CE2-CB 3.79Å; F2500-N2504 VanDerWaalsContact CE2-CB 3.47Å; F2500-N2504 WeakPolarHBondContact CE2-OD1 3.46Å; F2500-N2504 HydrophobicContact CG-CB 4.33Å; F2500-N2504 WeakPolarHBondContact CG-OD1 3.02Å; F2500-N2504 HydrophobicContact CZ-CB 3.89Å; F2500-N2504 VanDerWaalsContact CZ-CB 3.49Å; F2500-N2504 VanDerWaalsContact CZ-CG 3.42Å; F2500-N2504 WeakPolarHBondContact CZ-ND2 3.36Å; F2500-N2504 PolarHBondContact O-ND2 3.47Å; F2500-N2504 PolarHBondContact O-OD1 2.98Å; F2500-E2505 WeakPolarHBondContact CE2-OE2 3.49Å; F2500-Y2506 HydrophobicContact CE2-CE2 4.34Å; F2500-Y2506 HydrophobicContact CZ-CD2 4.28Å; F2500-Y2506 AromaticContact CZ-CE2 3.96Å; F2500-Y2506 HydrophobicContact CZ-CE2 3.96Å; F2500-L2729 HydrophobicContact CE1-CB 4.01Å; F2500-L2729 HydrophobicContact CZ-CB 4.02Å; F2500-L2729 HydrophobicContact CZ-CD1 4.2Å; F2500-E2733 HydrophobicContact CB-CG 4.21Å; F2500-E2733 HydrophobicContact CD1-CB 4.39Å; F2500-E2733 HydrophobicContact CD1-CG 4.36Å; F2500-E2733 WeakPolarHBondContact CD1-OE2 3.46Å; F2500-E2733 WeakPolarHBondContact CE1-OE1 3.46Å; F2500-E2733 WeakPolarHBondContact CE1-OE2 3.38Å; F2500-E2733 WeakPolarHBondContact CG-OE2 3.48Å |
| 2501 | T | 70.2 | Confident | 65.1 | Low | 54.75 Ų | 54.75 | 53.6 Ų | 53.6 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20.4 | 175.8 | 56 | 0 | 0 | 0 | 0 | 113 | H2389 E2499 V2734 | H2389-T2501 PolarHBondContact CE1-O 3.15Å; H2389-T2501 VanDerWaalsContact CE1-O 3.25Å; E2499-T2501 PolarHBondContact O-N 3.21Å; E2499-T2501 VanDerWaalsContact O-N 3.1Å; T2501-V2734 HydrophobicContact CG2-CG2 3.64Å |
| 2502 | V | 80.5 | Confident | 68.1 | Low | 8.25 Ų | 8.25 | 49.5 Ų | 49.5 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -48.6 | -176.2 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | L2386 R2387 F2393 F2422 E2499 F2500 | L2386-V2502 HydrophobicContact CB-CG1 3.64Å; R2387-V2502 HydrophobicContact CG-CG1 4.07Å; R2387-V2502 HydrophobicContact CG-CG2 4.1Å; F2393-V2502 VanDerWaalsContact CZ-O 3.23Å; F2393-V2502 WeakPolarHBondContact CZ-O 3.33Å; F2422-V2502 HydrophobicContact CD1-CB 4.17Å; F2422-V2502 HydrophobicContact CD1-CG1 4Å; F2422-V2502 HydrophobicContact CE1-CB 4Å; F2422-V2502 HydrophobicContact CE1-CG1 3.48Å; F2422-V2502 VanDerWaalsContact CE1-CG1 3.46Å; F2422-V2502 HydrophobicContact CE1-CG2 4.3Å; F2422-V2502 HydrophobicContact CE2-CG1 4.49Å; F2422-V2502 HydrophobicContact CZ-CG1 3.79Å; E2499-V2502 HydrophobicContact CB-CB 4.1Å; E2499-V2502 HydrophobicContact CB-CG2 3.81Å; E2499-V2502 WeakPolarHBondContact O-CA 3.22Å; E2499-V2502 VanDerWaalsContact O-CB 3.3Å; E2499-V2502 WeakPolarHBondContact O-CB 3.35Å; E2499-V2502 PolarHBondContact O-N 3.22Å; F2500-V2502 VanDerWaalsContact C-N 3.27Å; F2500-V2502 PolarHBondContact O-N 3.2Å; F2500-V2502 VanDerWaalsContact O-N 3.14Å |
| 2503 | L | 84 | Confident | 70.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | trans | -153.9 | 128.2 | 175 | -152.3 | 119.3 | 0 | 0 | 0 | 109.6 | L2386 F2393 L2418 F2422 V2423 E2499 F2500 D2507 L2508 | L2386-L2503 HydrophobicContact CD1-CB 4.44Å; L2386-L2503 HydrophobicContact CD1-CD1 3.85Å; L2386-L2503 VanDerWaalsContact CD1-CD1 3.45Å; L2386-L2503 HydrophobicContact CD1-CD2 4.3Å; L2386-L2503 HydrophobicContact CD1-CG 3.99Å; F2393-L2503 HydrophobicContact CD1-CD1 4.13Å; F2393-L2503 HydrophobicContact CD1-CD2 3.71Å; F2393-L2503 HydrophobicContact CE1-CD1 3.71Å; F2393-L2503 HydrophobicContact CE1-CD2 3.17Å; F2393-L2503 HydrophobicContact CE1-CG 4.21Å; F2393-L2503 HydrophobicContact CE2-CD2 4.43Å; F2393-L2503 HydrophobicContact CZ-CD1 4.39Å; F2393-L2503 HydrophobicContact CZ-CD2 3.63Å; F2393-L2503 HydrophobicContact CZ-CG 4.32Å; L2418-L2503 HydrophobicContact CB-CD2 4.28Å; F2422-L2503 HydrophobicContact CB-CB 3.81Å; F2422-L2503 HydrophobicContact CB-CD1 4.43Å; F2422-L2503 HydrophobicContact CB-CD2 4.16Å; F2422-L2503 HydrophobicContact CB-CG 4.45Å; F2422-L2503 HydrophobicContact CD2-CB 4.21Å; F2422-L2503 HydrophobicContact CD2-CD1 3.79Å; F2422-L2503 HydrophobicContact CD2-CD2 3.96Å; F2422-L2503 HydrophobicContact CD2-CG 4.48Å; F2422-L2503 HydrophobicContact CE2-CD1 4.39Å; F2422-L2503 HydrophobicContact CG-CB 4Å; F2422-L2503 HydrophobicContact CG-CD1 4.31Å; F2422-L2503 HydrophobicContact CG-CD2 4.37Å; V2423-L2503 HydrophobicContact CG2-CB 4.36Å; V2423-L2503 HydrophobicContact CG2-CD2 3.83Å; V2423-L2503 HydrophobicContact CG2-CG 4.19Å; E2499-L2503 PolarHBondContact O-N 3.1Å; F2500-L2503 CarbonylContact O-C 3.58Å; F2500-L2503 PolarHBondContact O-N 3.26Å; L2503-D2507 WeakPolarHBondContact CA-OD2 3.3Å; L2503-D2507 HydrophobicContact CD1-CB 3.83Å; L2503-D2507 HydrophobicContact CD2-CB 3.9Å; L2503-D2507 HydrophobicContact CG-CB 4.37Å; L2503-L2508 HydrophobicContact CD1-CD1 4.02Å; L2503-L2508 HydrophobicContact CD1-CG 4.14Å; L2503-L2508 HydrophobicContact CD2-CD1 4.15Å; L2503-L2508 HydrophobicContact CG-CD1 4.4Å | ||
| 2504 | N | 83 | Confident | 73.7 | Confident | 10.75 Ų | 10.75 | 43.7 Ų | 43.7 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | trans | -115.7 | 172.2 | 177.2 | 48.9 | 35.1 | 0 | 0 | 0 | 112.1 | F2500 Y2506 D2507 | F2500-N2504 WeakPolarHBondContact CA-OD1 3.45Å; F2500-N2504 HydrophobicContact CD1-CB 4.15Å; F2500-N2504 VanDerWaalsContact CD1-ND2 3.32Å; F2500-N2504 WeakPolarHBondContact CD1-ND2 3.47Å; F2500-N2504 HydrophobicContact CD2-CB 4Å; F2500-N2504 WeakPolarHBondContact CD2-OD1 3.21Å; F2500-N2504 HydrophobicContact CE1-CB 3.99Å; F2500-N2504 WeakPolarHBondContact CE1-ND2 3.44Å; F2500-N2504 HydrophobicContact CE2-CB 3.79Å; F2500-N2504 VanDerWaalsContact CE2-CB 3.47Å; F2500-N2504 WeakPolarHBondContact CE2-OD1 3.46Å; F2500-N2504 HydrophobicContact CG-CB 4.33Å; F2500-N2504 WeakPolarHBondContact CG-OD1 3.02Å; F2500-N2504 HydrophobicContact CZ-CB 3.89Å; F2500-N2504 VanDerWaalsContact CZ-CB 3.49Å; F2500-N2504 VanDerWaalsContact CZ-CG 3.42Å; F2500-N2504 WeakPolarHBondContact CZ-ND2 3.36Å; F2500-N2504 PolarHBondContact O-ND2 3.47Å; F2500-N2504 PolarHBondContact O-OD1 2.98Å; N2504-Y2506 HydrophobicContact CB-CD2 4.2Å; N2504-Y2506 PolarHBondContact O-N 3.18Å; N2504-Y2506 VanDerWaalsContact OD1-CA 3.29Å; N2504-Y2506 WeakPolarHBondContact OD1-CA 3.32Å; N2504-Y2506 VanDerWaalsContact OD1-CB 3.31Å; N2504-Y2506 WeakPolarHBondContact OD1-CB 3.34Å; N2504-Y2506 PolarHBondContact OD1-N 3.21Å; N2504-D2507 VanDerWaalsContact CG-CG 3.43Å; N2504-D2507 PolarHBondContact N-OD2 3.06Å; N2504-D2507 PolarHBondContact ND2-OD1 2.9Å; N2504-D2507 PolarHBondContact ND2-OD2 3.22Å; N2504-D2507 VanDerWaalsContact ND2-OD2 3.12Å; N2504-D2507 WeakPolarHBondContact O-CB 3.27Å; N2504-D2507 PolarHBondContact O-N 3.16Å; N2504-D2507 VanDerWaalsContact O-N 3.14Å; N2504-D2507 PolarHBondContact OD1-N 3.34Å; N2504-D2507 VanDerWaalsContact OD1-N 3.07Å; N2504-D2507 PolarHBondContact OD1-OD1 3.37Å; N2504-D2507 PolarHBondContact OD1-OD2 3.13Å | ||
| 2505 | E | 83.6 | Confident | 76.4 | Confident | 6.5 Ų | 6.5 | 39.2 Ų | 39.2 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.4 | 177.5 | 58.3 | -93.7 | -148.1 | 0 | 0 | 115.1 | V2423 R2498 F2500 L2512 L2549 L2550 K2848 | V2423-E2505 HydrophobicContact CG1-CB 3.98Å; R2498-E2505 IonicContact CZ-OE2 2.65Å; R2498-E2505 IonicContact NH1-OE1 3.07Å; R2498-E2505 PolarHBondContact NH1-OE1 3.1Å; R2498-E2505 IonicContact NH1-OE2 3.48Å; R2498-E2505 PolarHBondContact NH1-OE2 3.36Å; R2498-E2505 IonicContact NH2-OE2 3.96Å; R2498-E2505 PolarHBondContact NH2-OE2 3Å; F2500-E2505 WeakPolarHBondContact CE2-OE2 3.49Å; E2505-L2512 HydrophobicContact CB-CD1 4.25Å; E2505-L2512 VanDerWaalsContact O-CD1 3.28Å; E2505-L2512 WeakPolarHBondContact O-CD1 3.27Å; E2505-L2549 HydrophobicContact CB-CD2 4.03Å; E2505-L2549 HydrophobicContact CB-CG 4.32Å; E2505-L2549 HydrophobicContact CG-CD2 4.24Å; E2505-L2550 HydrophobicContact CB-CD2 4.29Å; E2505-L2550 HydrophobicContact CG-CD2 4.06Å; E2505-K2848 WeakPolarHBondContact OE1-CE 3.25Å; E2505-K2848 IonicContact OE1-NZ 3.62Å; E2505-K2848 PolarHBondContact OE1-NZ 2.92Å |
| 2506 | Y | 86.3 | Confident | 78.9 | Confident | 19.5 Ų | 19.5 | 40.7 Ų | 40.7 | 8% | 0.076 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -22.5 | -179.8 | -49.5 | -59.7 | 0 | 0 | 0 | 112.4 | F2500 N2504 L2508 W2509 L2550 Y2572 C2575 S2576 L2729 C2843 | F2500-Y2506 HydrophobicContact CE2-CE2 4.34Å; F2500-Y2506 HydrophobicContact CZ-CD2 4.28Å; F2500-Y2506 AromaticContact CZ-CE2 3.96Å; F2500-Y2506 HydrophobicContact CZ-CE2 3.96Å; N2504-Y2506 HydrophobicContact CB-CD2 4.2Å; N2504-Y2506 PolarHBondContact O-N 3.18Å; N2504-Y2506 VanDerWaalsContact OD1-CA 3.29Å; N2504-Y2506 WeakPolarHBondContact OD1-CA 3.32Å; N2504-Y2506 VanDerWaalsContact OD1-CB 3.31Å; N2504-Y2506 WeakPolarHBondContact OD1-CB 3.34Å; N2504-Y2506 PolarHBondContact OD1-N 3.21Å; Y2506-L2508 VanDerWaalsContact C-N 3.26Å; Y2506-L2508 PolarHBondContact O-N 3.29Å; Y2506-W2509 PolarHBondContact O-N 3.13Å; Y2506-L2550 HydrophobicContact CE1-CD2 4.23Å; Y2506-Y2572 AromaticContact CD1-CD1 3.27Å; Y2506-Y2572 HydrophobicContact CD1-CD1 3.27Å; Y2506-Y2572 AromaticContact CD1-CE1 3.82Å; Y2506-Y2572 HydrophobicContact CD1-CE1 3.82Å; Y2506-Y2572 AromaticContact CD1-CG 3.84Å; Y2506-Y2572 HydrophobicContact CD1-CG 3.9Å; Y2506-Y2572 AromaticContact CE1-CD1 3.57Å; Y2506-Y2572 HydrophobicContact CE1-CD1 3.57Å; Y2506-Y2572 VanDerWaalsContact CE1-CD1 3.45Å; Y2506-Y2572 AromaticContact CE1-CE1 3.62Å; Y2506-Y2572 HydrophobicContact CE1-CE1 3.62Å; Y2506-Y2572 VanDerWaalsContact CE1-CE1 3.41Å; Y2506-Y2572 HydrophobicContact CE1-CG 4.44Å; Y2506-Y2572 HydrophobicContact CG-CD1 4.28Å; Y2506-C2575 HydrophobicContact CD2-CB 4.12Å; Y2506-C2575 HydrophobicContact CG-CB 4.12Å; Y2506-S2576 VanDerWaalsContact C-OG 3.26Å; Y2506-S2576 PolarHBondContact O-OG 2.82Å; Y2506-S2576 VanDerWaalsContact O-OG 3.06Å; Y2506-L2729 HydrophobicContact CE2-CD1 4.1Å; Y2506-C2843 PolarHBondContact OH-O 2.69Å; Y2506-C2843 PolarHBondContact OH-SG 2.9Å; Y2506-C2843 VanDerWaalsContact OH-SG 3.4Å |
| 2507 | D | 87.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -30.8 | -176.9 | -62 | -34.7 | 0 | 0 | 0 | 113.3 | F2393 L2503 N2504 W2509 S2576 | F2393-D2507 HydrophobicContact CB-CB 4.4Å; F2393-D2507 HydrophobicContact CD1-CB 4.1Å; F2393-D2507 HydrophobicContact CD2-CB 4.16Å; F2393-D2507 HydrophobicContact CE1-CB 4.38Å; F2393-D2507 HydrophobicContact CG-CB 4.15Å; L2503-D2507 WeakPolarHBondContact CA-OD2 3.3Å; L2503-D2507 HydrophobicContact CD1-CB 3.83Å; L2503-D2507 HydrophobicContact CD2-CB 3.9Å; L2503-D2507 HydrophobicContact CG-CB 4.37Å; N2504-D2507 VanDerWaalsContact CG-CG 3.43Å; N2504-D2507 PolarHBondContact N-OD2 3.06Å; N2504-D2507 PolarHBondContact ND2-OD1 2.9Å; N2504-D2507 PolarHBondContact ND2-OD2 3.22Å; N2504-D2507 VanDerWaalsContact ND2-OD2 3.12Å; N2504-D2507 WeakPolarHBondContact O-CB 3.27Å; N2504-D2507 PolarHBondContact O-N 3.16Å; N2504-D2507 VanDerWaalsContact O-N 3.14Å; N2504-D2507 PolarHBondContact OD1-N 3.34Å; N2504-D2507 VanDerWaalsContact OD1-N 3.07Å; N2504-D2507 PolarHBondContact OD1-OD1 3.37Å; N2504-D2507 PolarHBondContact OD1-OD2 3.13Å; D2507-W2509 PolarHBondContact O-N 3.32Å; D2507-S2576 VanDerWaalsContact CA-OG 3.23Å; D2507-S2576 WeakPolarHBondContact CA-OG 3.37Å; D2507-S2576 PolarHBondContact N-OG 3.25Å; D2507-S2576 VanDerWaalsContact N-OG 3.09Å; D2507-S2576 WeakPolarHBondContact OD1-CA 3.41Å; D2507-S2576 WeakPolarHBondContact OD1-CB 3.24Å; D2507-S2576 PolarHBondContact OD1-OG 3.21Å |
| 2508 | L | 89.8 | Confident | 83.3 | Confident | 5.5 Ų | 5.5 | 34 Ų | 34 | 3% | 0.029 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 32.4 | -179.4 | -61.1 | 179.2 | 0 | 0 | 0 | 112.3 | V2396 D2397 L2400 L2419 L2503 Y2506 S2510 T2511 L2512 | V2396-L2508 HydrophobicContact CG1-CD2 4.36Å; D2397-L2508 HydrophobicContact CB-CD2 4.12Å; D2397-L2508 VanDerWaalsContact CG-CA 3.4Å; D2397-L2508 VanDerWaalsContact OD1-CA 3.28Å; D2397-L2508 WeakPolarHBondContact OD1-CA 3.38Å; L2400-L2508 HydrophobicContact CD1-CD2 4.32Å; L2419-L2508 HydrophobicContact CD2-CD1 4.45Å; L2503-L2508 HydrophobicContact CD1-CD1 4.02Å; L2503-L2508 HydrophobicContact CD1-CG 4.14Å; L2503-L2508 HydrophobicContact CD2-CD1 4.15Å; L2503-L2508 HydrophobicContact CG-CD1 4.4Å; Y2506-L2508 VanDerWaalsContact C-N 3.26Å; Y2506-L2508 PolarHBondContact O-N 3.29Å; L2508-S2510 VanDerWaalsContact C-N 3.32Å; L2508-S2510 PolarHBondContact O-N 2.92Å; L2508-T2511 CarbonylContact O-C 3.58Å; L2508-T2511 WeakPolarHBondContact O-CA 3.29Å; L2508-T2511 WeakPolarHBondContact O-CB 3.29Å; L2508-T2511 PolarHBondContact O-N 3.19Å; L2508-T2511 VanDerWaalsContact O-N 3.14Å; L2508-L2512 VanDerWaalsContact O-CG 3.31Å; L2508-L2512 WeakPolarHBondContact O-CG 3.35Å; L2508-L2512 PolarHBondContact O-N 3.17Å |
| 2509 | W | 88.9 | Confident | 84.6 | Confident | 38.25 Ų | 38.25 | 30.9 Ų | 30.9 | 15% | 0.145 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | -172.7 | 179.3 | -101.9 | 0 | 0 | 0 | 113.5 | D2397 Y2506 D2507 T2511 L2512 E2513 L2550 I2568 Y2572 | D2397-W2509 PolarHBondContact OD2-N 2.94Å; Y2506-W2509 PolarHBondContact O-N 3.13Å; D2507-W2509 PolarHBondContact O-N 3.32Å; W2509-T2511 VanDerWaalsContact C-N 3.27Å; W2509-T2511 PolarHBondContact O-N 3.28Å; W2509-L2512 HydrophobicContact CE3-CD1 4.35Å; W2509-L2512 PolarHBondContact O-N 3.14Å; W2509-E2513 WeakPolarHBondContact O-CB 3.47Å; W2509-E2513 PolarHBondContact O-N 3.1Å; W2509-L2550 HydrophobicContact CH2-CD1 4.16Å; W2509-L2550 HydrophobicContact CZ3-CD1 3.86Å; W2509-L2550 HydrophobicContact CZ3-CD2 4.42Å; W2509-I2568 HydrophobicContact CZ2-CG2 4.27Å; W2509-Y2572 AromaticContact CD2-CD2 3.43Å; W2509-Y2572 HydrophobicContact CD2-CD2 3.43Å; W2509-Y2572 VanDerWaalsContact CD2-CD2 3.42Å; W2509-Y2572 AromaticContact CD2-CE2 3.97Å; W2509-Y2572 HydrophobicContact CD2-CE2 4.16Å; W2509-Y2572 HydrophobicContact CD2-CG 4.2Å; W2509-Y2572 AromaticContact CE2-CD2 3.52Å; W2509-Y2572 VanDerWaalsContact CE2-CD2 3.41Å; W2509-Y2572 AromaticContact CE2-CE2 3.86Å; W2509-Y2572 AromaticContact CE3-CD2 3.49Å; W2509-Y2572 HydrophobicContact CE3-CD2 3.49Å; W2509-Y2572 AromaticContact CE3-CE2 3.75Å; W2509-Y2572 HydrophobicContact CE3-CE2 3.93Å; W2509-Y2572 HydrophobicContact CE3-CG 4.17Å; W2509-Y2572 AromaticContact CG-CD2 3.91Å; W2509-Y2572 HydrophobicContact CG-CD2 4.11Å; W2509-Y2572 AromaticContact CH2-CD2 3.64Å; W2509-Y2572 HydrophobicContact CH2-CD2 3.74Å; W2509-Y2572 AromaticContact CH2-CE2 3.41Å; W2509-Y2572 HydrophobicContact CH2-CE2 3.41Å; W2509-Y2572 AromaticContact CZ2-CD2 3.57Å; W2509-Y2572 HydrophobicContact CZ2-CD2 3.69Å; W2509-Y2572 AromaticContact CZ2-CE2 3.53Å; W2509-Y2572 HydrophobicContact CZ2-CE2 3.65Å; W2509-Y2572 VanDerWaalsContact CZ2-CE2 3.47Å; W2509-Y2572 AromaticContact CZ3-CD2 3.63Å; W2509-Y2572 HydrophobicContact CZ3-CD2 3.63Å; W2509-Y2572 AromaticContact CZ3-CE2 3.56Å; W2509-Y2572 HydrophobicContact CZ3-CE2 3.56Å; W2509-Y2572 HydrophobicContact CZ3-CG 4.4Å |
| 2510 | S | 88.8 | Confident | 85.5 | Confident | 55.5 Ų | 55.5 | 30.9 Ų | 30.9 | 39% | 0.388 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.9 | -36.8 | 179.1 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | D2397 L2508 E2513 A2514 | D2397-S2510 PolarHBondContact OD1-N 3.13Å; D2397-S2510 WeakPolarHBondContact OD2-CB 3.33Å; D2397-S2510 PolarHBondContact OD2-N 3.23Å; D2397-S2510 PolarHBondContact OD2-OG 3.25Å; L2508-S2510 VanDerWaalsContact C-N 3.32Å; L2508-S2510 PolarHBondContact O-N 2.92Å; S2510-E2513 PolarHBondContact O-N 3.21Å; S2510-A2514 WeakPolarHBondContact O-CB 3.34Å; S2510-A2514 PolarHBondContact O-N 3.03Å |
| 2511 | T | 92.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 175 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | D2397 L2400 A2401 V2404 V2415 L2508 W2509 E2513 A2514 L2515 | D2397-T2511 PolarHBondContact O-OG1 3.29Å; D2397-T2511 VanDerWaalsContact O-OG1 3.07Å; D2397-T2511 VanDerWaalsContact OD1-CB 3.29Å; D2397-T2511 WeakPolarHBondContact OD1-CB 3.18Å; D2397-T2511 PolarHBondContact OD1-N 3.1Å; D2397-T2511 PolarHBondContact OD1-OG1 3.07Å; L2400-T2511 HydrophobicContact CB-CG2 3.85Å; L2400-T2511 WeakPolarHBondContact CB-OG1 3.37Å; A2401-T2511 PolarHBondContact N-OG1 3.03Å; V2404-T2511 HydrophobicContact CG2-CG2 4.09Å; V2415-T2511 HydrophobicContact CB-CG2 4.41Å; V2415-T2511 HydrophobicContact CG1-CG2 3.82Å; V2415-T2511 HydrophobicContact CG2-CG2 3.73Å; L2508-T2511 CarbonylContact O-C 3.58Å; L2508-T2511 WeakPolarHBondContact O-CA 3.29Å; L2508-T2511 WeakPolarHBondContact O-CB 3.29Å; L2508-T2511 PolarHBondContact O-N 3.19Å; L2508-T2511 VanDerWaalsContact O-N 3.14Å; W2509-T2511 VanDerWaalsContact C-N 3.27Å; W2509-T2511 PolarHBondContact O-N 3.28Å; T2511-E2513 VanDerWaalsContact C-N 3.3Å; T2511-E2513 PolarHBondContact O-N 3.28Å; T2511-A2514 WeakPolarHBondContact O-CB 3.29Å; T2511-A2514 PolarHBondContact O-N 3.27Å; T2511-L2515 WeakPolarHBondContact O-CG 3.36Å; T2511-L2515 PolarHBondContact O-N 3.07Å |
| 2512 | L | 90.4 | Very high | 86.9 | Confident | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 175.3 | -70.3 | 178.4 | 0 | 0 | 0 | 111.5 | L2419 E2505 L2508 W2509 L2515 R2516 V2546 | L2419-L2512 HydrophobicContact CD1-CD2 3.68Å; L2419-L2512 HydrophobicContact CD2-CD2 4.07Å; L2419-L2512 HydrophobicContact CG-CD2 4.49Å; E2505-L2512 HydrophobicContact CB-CD1 4.25Å; E2505-L2512 VanDerWaalsContact O-CD1 3.28Å; E2505-L2512 WeakPolarHBondContact O-CD1 3.27Å; L2508-L2512 VanDerWaalsContact O-CG 3.31Å; L2508-L2512 WeakPolarHBondContact O-CG 3.35Å; L2508-L2512 PolarHBondContact O-N 3.17Å; W2509-L2512 HydrophobicContact CE3-CD1 4.35Å; W2509-L2512 PolarHBondContact O-N 3.14Å; L2512-L2515 HydrophobicContact CD2-CD1 4.24Å; L2512-L2515 WeakPolarHBondContact O-CB 3.16Å; L2512-L2515 PolarHBondContact O-N 3.35Å; L2512-R2516 PolarHBondContact O-N 3.21Å; L2512-V2546 HydrophobicContact CD1-CG1 4.05Å; L2512-V2546 HydrophobicContact CD2-CG1 4.04Å; L2512-V2546 HydrophobicContact CD2-CG2 3.89Å; L2512-V2546 HydrophobicContact CG-CG1 4.46Å |
| 2513 | E | 88.3 | Confident | 86.7 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | 175.1 | -171.1 | 53.9 | -140 | 0 | 0 | 111.5 | W2509 S2510 T2511 L2515 R2516 N2517 | W2509-E2513 WeakPolarHBondContact O-CB 3.47Å; W2509-E2513 PolarHBondContact O-N 3.1Å; S2510-E2513 PolarHBondContact O-N 3.21Å; T2511-E2513 VanDerWaalsContact C-N 3.3Å; T2511-E2513 PolarHBondContact O-N 3.28Å; E2513-L2515 VanDerWaalsContact C-N 3.34Å; E2513-L2515 PolarHBondContact O-N 3.09Å; E2513-R2516 VanDerWaalsContact CD-NH2 3.28Å; E2513-R2516 WeakPolarHBondContact O-CB 3.47Å; E2513-R2516 PolarHBondContact O-N 2.96Å; E2513-R2516 IonicContact OE1-CZ 3.53Å; E2513-R2516 VanDerWaalsContact OE1-CZ 3.23Å; E2513-R2516 IonicContact OE1-NE 2.73Å; E2513-R2516 PolarHBondContact OE1-NE 3.21Å; E2513-R2516 IonicContact OE1-NH1 2.92Å; E2513-R2516 PolarHBondContact OE1-NH1 3.06Å; E2513-R2516 IonicContact OE1-NH2 3.76Å; E2513-R2516 PolarHBondContact OE1-NH2 3.04Å; E2513-R2516 IonicContact OE2-CZ 3.51Å; E2513-R2516 VanDerWaalsContact OE2-CZ 3.24Å; E2513-R2516 IonicContact OE2-NE 3.07Å; E2513-R2516 PolarHBondContact OE2-NE 3.06Å; E2513-R2516 VanDerWaalsContact OE2-NE 3.07Å; E2513-R2516 IonicContact OE2-NH1 3.34Å; E2513-R2516 PolarHBondContact OE2-NH1 3.32Å; E2513-R2516 IonicContact OE2-NH2 3.35Å; E2513-R2516 PolarHBondContact OE2-NH2 2.9Å; E2513-R2516 VanDerWaalsContact OE2-NH2 3.15Å; E2513-N2517 WeakPolarHBondContact O-CB 3.41Å; E2513-N2517 VanDerWaalsContact O-CG 3.3Å; E2513-N2517 PolarHBondContact O-N 3.28Å; E2513-N2517 PolarHBondContact O-ND2 3.16Å; E2513-N2517 VanDerWaalsContact O-ND2 3.1Å; E2513-N2517 PolarHBondContact OE1-ND2 2.96Å; E2513-N2517 PolarHBondContact OE1-OD1 3.22Å |
| 2514 | A | 90.9 | Very high | 86.4 | Confident | 10.25 Ų | 10.25 | 41.6 Ų | 41.6 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2401 V2404 S2510 T2511 N2517 R2518 | A2401-A2514 HydrophobicContact CB-CB 4.19Å; A2401-A2514 WeakPolarHBondContact O-CB 3.34Å; V2404-A2514 HydrophobicContact CB-CB 4.12Å; V2404-A2514 HydrophobicContact CG1-CB 3.83Å; S2510-A2514 WeakPolarHBondContact O-CB 3.34Å; S2510-A2514 PolarHBondContact O-N 3.03Å; T2511-A2514 WeakPolarHBondContact O-CB 3.29Å; T2511-A2514 PolarHBondContact O-N 3.27Å; A2514-N2517 PolarHBondContact O-N 3.3Å; A2514-R2518 WeakPolarHBondContact O-CB 3.44Å; A2514-R2518 PolarHBondContact O-N 3.11Å |
| 2515 | L | 91.8 | Very high | 85.9 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 174.3 | -70.1 | 172.9 | 0 | 0 | 0 | 111.2 | V2404 V2412 V2415 L2419 T2511 L2512 E2513 R2518 V2519 L2539 | V2404-L2515 HydrophobicContact CB-CD2 4.45Å; V2404-L2515 HydrophobicContact CG1-CB 4.42Å; V2404-L2515 HydrophobicContact CG1-CD2 3.5Å; V2404-L2515 VanDerWaalsContact CG1-CD2 3.49Å; V2404-L2515 HydrophobicContact CG1-CG 3.87Å; V2404-L2515 HydrophobicContact CG2-CD2 4.15Å; V2412-L2515 HydrophobicContact CG1-CD2 4.33Å; V2412-L2515 HydrophobicContact CG2-CD2 4.44Å; V2415-L2515 HydrophobicContact CB-CD1 4.48Å; V2415-L2515 HydrophobicContact CG1-CD1 3.73Å; L2419-L2515 HydrophobicContact CD1-CD1 4.13Å; T2511-L2515 WeakPolarHBondContact O-CG 3.36Å; T2511-L2515 PolarHBondContact O-N 3.07Å; L2512-L2515 HydrophobicContact CD2-CD1 4.24Å; L2512-L2515 WeakPolarHBondContact O-CB 3.16Å; L2512-L2515 PolarHBondContact O-N 3.35Å; E2513-L2515 VanDerWaalsContact C-N 3.34Å; E2513-L2515 PolarHBondContact O-N 3.09Å; L2515-R2518 WeakPolarHBondContact O-CB 3.38Å; L2515-R2518 PolarHBondContact O-N 3.35Å; L2515-V2519 WeakPolarHBondContact O-CG2 3.34Å; L2515-V2519 PolarHBondContact O-N 3.21Å; L2515-L2539 HydrophobicContact CB-CD1 4.05Å; L2515-L2539 HydrophobicContact CD2-CD1 3.41Å; L2515-L2539 VanDerWaalsContact CD2-CD1 3.44Å; L2515-L2539 HydrophobicContact CG-CD1 4.23Å |
| 2516 | R | 87.6 | Confident | 84.7 | Confident | 107.75 Ų | 107.75 | 49.9 Ų | 49.9 | 41% | 0.407 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 176.2 | -176 | -178.5 | 98.3 | 160.4 | 1.9 | 111.4 | L2512 E2513 R2518 V2519 T2520 | L2512-R2516 PolarHBondContact O-N 3.21Å; E2513-R2516 VanDerWaalsContact CD-NH2 3.28Å; E2513-R2516 WeakPolarHBondContact O-CB 3.47Å; E2513-R2516 PolarHBondContact O-N 2.96Å; E2513-R2516 IonicContact OE1-CZ 3.53Å; E2513-R2516 VanDerWaalsContact OE1-CZ 3.23Å; E2513-R2516 IonicContact OE1-NE 2.73Å; E2513-R2516 PolarHBondContact OE1-NE 3.21Å; E2513-R2516 IonicContact OE1-NH1 2.92Å; E2513-R2516 PolarHBondContact OE1-NH1 3.06Å; E2513-R2516 IonicContact OE1-NH2 3.76Å; E2513-R2516 PolarHBondContact OE1-NH2 3.04Å; E2513-R2516 IonicContact OE2-CZ 3.51Å; E2513-R2516 VanDerWaalsContact OE2-CZ 3.24Å; E2513-R2516 IonicContact OE2-NE 3.07Å; E2513-R2516 PolarHBondContact OE2-NE 3.06Å; E2513-R2516 VanDerWaalsContact OE2-NE 3.07Å; E2513-R2516 IonicContact OE2-NH1 3.34Å; E2513-R2516 PolarHBondContact OE2-NH1 3.32Å; E2513-R2516 IonicContact OE2-NH2 3.35Å; E2513-R2516 PolarHBondContact OE2-NH2 2.9Å; E2513-R2516 VanDerWaalsContact OE2-NH2 3.15Å; R2516-R2518 VanDerWaalsContact C-N 3.27Å; R2516-R2518 PolarHBondContact O-N 3.13Å; R2516-V2519 WeakPolarHBondContact O-CB 3.34Å; R2516-V2519 PolarHBondContact O-N 3.17Å; R2516-V2519 VanDerWaalsContact O-N 3.12Å; R2516-T2520 PolarHBondContact O-N 3.28Å; R2516-T2520 PolarHBondContact O-OG1 3.29Å; R2516-T2520 VanDerWaalsContact O-OG1 3.14Å |
| 2517 | N | 88.6 | Confident | 83.2 | Confident | 84.75 Ų | 84.75 | 54.4 Ų | 54.4 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 177.1 | -71.5 | -32.5 | 0 | 0 | 0 | 111.8 | E2513 A2514 T2520 F2521 | E2513-N2517 WeakPolarHBondContact O-CB 3.41Å; E2513-N2517 VanDerWaalsContact O-CG 3.3Å; E2513-N2517 PolarHBondContact O-N 3.28Å; E2513-N2517 PolarHBondContact O-ND2 3.16Å; E2513-N2517 VanDerWaalsContact O-ND2 3.1Å; E2513-N2517 PolarHBondContact OE1-ND2 2.96Å; E2513-N2517 PolarHBondContact OE1-OD1 3.22Å; A2514-N2517 PolarHBondContact O-N 3.3Å; N2517-T2520 WeakPolarHBondContact CA-OG1 3.46Å; N2517-T2520 PolarHBondContact O-N 3.06Å; N2517-T2520 PolarHBondContact O-OG1 2.99Å; N2517-F2521 WeakPolarHBondContact O-CB 3.3Å; N2517-F2521 PolarHBondContact O-N 3.08Å |
| 2518 | R | 87.8 | Confident | 81.4 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 24% | 0.242 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 174.2 | -171.8 | 61.9 | 178.2 | 175.1 | -0.1 | 112.4 | A2514 L2515 R2516 T2520 F2521 L2522 L2539 | A2514-R2518 WeakPolarHBondContact O-CB 3.44Å; A2514-R2518 PolarHBondContact O-N 3.11Å; L2515-R2518 WeakPolarHBondContact O-CB 3.38Å; L2515-R2518 PolarHBondContact O-N 3.35Å; R2516-R2518 VanDerWaalsContact C-N 3.27Å; R2516-R2518 PolarHBondContact O-N 3.13Å; R2518-T2520 VanDerWaalsContact C-N 3.33Å; R2518-F2521 VanDerWaalsContact NH1-CE1 3.29Å; R2518-F2521 WeakPolarHBondContact O-CB 3.4Å; R2518-F2521 PolarHBondContact O-N 2.87Å; R2518-L2522 HydrophobicContact CG-CD1 4.38Å; R2518-L2522 WeakPolarHBondContact O-CB 3.32Å; R2518-L2522 VanDerWaalsContact O-CG 3.3Å; R2518-L2522 WeakPolarHBondContact O-CG 3.24Å; R2518-L2522 PolarHBondContact O-N 2.9Å; R2518-L2539 HydrophobicContact CB-CD2 4.24Å; R2518-L2539 HydrophobicContact CG-CD2 3.83Å |
| 2519 | V | 85.8 | Confident | 79.6 | Confident | 15.75 Ų | 15.75 | 61.9 Ų | 61.9 | 10% | 0.095 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.2 | 170.7 | 0 | 0 | 0 | 0 | 111 | L2515 R2516 F2521 L2522 N2523 L2539 R2540 C2543 L3153 | L2515-V2519 WeakPolarHBondContact O-CG2 3.34Å; L2515-V2519 PolarHBondContact O-N 3.21Å; R2516-V2519 WeakPolarHBondContact O-CB 3.34Å; R2516-V2519 PolarHBondContact O-N 3.17Å; R2516-V2519 VanDerWaalsContact O-N 3.12Å; V2519-F2521 VanDerWaalsContact C-N 3.33Å; V2519-F2521 PolarHBondContact O-N 3.01Å; V2519-L2522 PolarHBondContact O-N 3.09Å; V2519-N2523 WeakPolarHBondContact O-CB 3.37Å; V2519-N2523 VanDerWaalsContact O-CG 3.25Å; V2519-N2523 PolarHBondContact O-N 3.11Å; V2519-N2523 PolarHBondContact O-ND2 3.47Å; V2519-N2523 PolarHBondContact O-OD1 2.89Å; V2519-L2539 HydrophobicContact CG2-CD1 4.28Å; V2519-L2539 HydrophobicContact CG2-CD2 4.03Å; V2519-L2539 HydrophobicContact CG2-CG 3.65Å; V2519-R2540 HydrophobicContact CG1-CG 4.1Å; V2519-R2540 HydrophobicContact CG2-CG 4.41Å; V2519-C2543 HydrophobicContact CG2-CB 4.07Å; V2519-C2543 VanDerWaalsContact CG2-SG 3.56Å; V2519-L3153 HydrophobicContact CG1-CD2 4.02Å |
| 2520 | T | 84 | Confident | 77.9 | Confident | 66 Ų | 66 | 61 Ų | 61 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 176.8 | -34.7 | 0 | 0 | 0 | 0 | 111.4 | R2516 N2517 R2518 L2522 N2523 N2524 | R2516-T2520 PolarHBondContact O-N 3.28Å; R2516-T2520 PolarHBondContact O-OG1 3.29Å; R2516-T2520 VanDerWaalsContact O-OG1 3.14Å; N2517-T2520 WeakPolarHBondContact CA-OG1 3.46Å; N2517-T2520 PolarHBondContact O-N 3.06Å; N2517-T2520 PolarHBondContact O-OG1 2.99Å; R2518-T2520 VanDerWaalsContact C-N 3.33Å; T2520-L2522 PolarHBondContact O-N 3.37Å; T2520-N2523 PolarHBondContact O-N 3.3Å; T2520-N2524 PolarHBondContact O-N 3.24Å; T2520-N2524 VanDerWaalsContact O-N 3.07Å; T2520-N2524 PolarHBondContact O-ND2 3.39Å |
| 2521 | F | 84.6 | Confident | 76.3 | Confident | 107.75 Ų | 107.75 | 63.1 Ų | 63.1 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 174.1 | 177.6 | -92.5 | 0 | 0 | 0 | 112.3 | N2517 R2518 V2519 N2523 N2524 T2525 | N2517-F2521 WeakPolarHBondContact O-CB 3.3Å; N2517-F2521 PolarHBondContact O-N 3.08Å; R2518-F2521 VanDerWaalsContact NH1-CE1 3.29Å; R2518-F2521 WeakPolarHBondContact O-CB 3.4Å; R2518-F2521 PolarHBondContact O-N 2.87Å; V2519-F2521 VanDerWaalsContact C-N 3.33Å; V2519-F2521 PolarHBondContact O-N 3.01Å; F2521-N2523 VanDerWaalsContact C-N 3.27Å; F2521-N2523 PolarHBondContact O-N 3.23Å; F2521-N2524 PolarHBondContact O-N 3.08Å; F2521-N2524 VanDerWaalsContact O-N 3.14Å; F2521-T2525 HydrophobicContact CD1-CG2 4.45Å; F2521-T2525 HydrophobicContact CD2-CG2 4.36Å; F2521-T2525 HydrophobicContact CE1-CG2 4.02Å; F2521-T2525 HydrophobicContact CE2-CG2 4.24Å; F2521-T2525 HydrophobicContact CZ-CG2 3.9Å; F2521-T2525 WeakPolarHBondContact O-CG2 3.16Å; F2521-T2525 PolarHBondContact O-N 3.14Å; F2521-T2525 VanDerWaalsContact O-N 3.12Å; F2521-T2525 PolarHBondContact O-OG1 3.23Å |
| 2522 | L | 81.1 | Confident | 74.9 | Confident | 25.25 Ų | 25.25 | 67.9 Ų | 67.9 | 13% | 0.132 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64 | -30.6 | 178.5 | -72.5 | 172.6 | 0 | 0 | 0 | 113 | R2518 V2519 T2520 T2525 N2526 S2530 L2539 | R2518-L2522 HydrophobicContact CG-CD1 4.38Å; R2518-L2522 WeakPolarHBondContact O-CB 3.32Å; R2518-L2522 VanDerWaalsContact O-CG 3.3Å; R2518-L2522 WeakPolarHBondContact O-CG 3.24Å; R2518-L2522 PolarHBondContact O-N 2.9Å; V2519-L2522 PolarHBondContact O-N 3.09Å; T2520-L2522 PolarHBondContact O-N 3.37Å; L2522-T2525 WeakPolarHBondContact CA-OG1 3.37Å; L2522-T2525 PolarHBondContact O-OG1 2.97Å; L2522-T2525 VanDerWaalsContact O-OG1 3.13Å; L2522-N2526 PolarHBondContact O-N 3.46Å; L2522-S2530 PolarHBondContact O-OG 3.14Å; L2522-L2539 HydrophobicContact CD1-CD2 3.86Å |
| 2523 | N | 76 | Confident | 74.1 | Confident | 59.5 Ų | 59.5 | 70.4 Ų | 70.4 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -76.5 | -33.4 | 176.9 | -71.1 | -9.2 | 0 | 0 | 0 | 112.3 | V2519 T2520 F2521 R2540 L3153 | V2519-N2523 WeakPolarHBondContact O-CB 3.37Å; V2519-N2523 VanDerWaalsContact O-CG 3.25Å; V2519-N2523 PolarHBondContact O-N 3.11Å; V2519-N2523 PolarHBondContact O-ND2 3.47Å; V2519-N2523 PolarHBondContact O-OD1 2.89Å; T2520-N2523 PolarHBondContact O-N 3.3Å; F2521-N2523 VanDerWaalsContact C-N 3.27Å; F2521-N2523 PolarHBondContact O-N 3.23Å; N2523-R2540 PolarHBondContact OD1-NE 3.27Å; N2523-L3153 WeakPolarHBondContact ND2-CD1 3.22Å |
| 2524 | N | 76.8 | Confident | 73.7 | Confident | 127.75 Ų | 127.75 | 70.5 Ų | 70.5 | 68% | 0.683 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -78.1 | -26.8 | 178.5 | -71 | -13 | 0 | 0 | 0 | 112.8 | T2520 F2521 N2526 | T2520-N2524 PolarHBondContact O-N 3.24Å; T2520-N2524 VanDerWaalsContact O-N 3.07Å; T2520-N2524 PolarHBondContact O-ND2 3.39Å; F2521-N2524 PolarHBondContact O-N 3.08Å; F2521-N2524 VanDerWaalsContact O-N 3.14Å; N2524-N2526 PolarHBondContact O-N 3.03Å; N2524-N2526 VanDerWaalsContact O-N 3.16Å |
| 2525 | T | 73.1 | Confident | 73.3 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -81.5 | 76.3 | 176.2 | 51 | 0 | 0 | 0 | 0 | 110.5 | F2521 L2522 L2527 | F2521-T2525 HydrophobicContact CD1-CG2 4.45Å; F2521-T2525 HydrophobicContact CD2-CG2 4.36Å; F2521-T2525 HydrophobicContact CE1-CG2 4.02Å; F2521-T2525 HydrophobicContact CE2-CG2 4.24Å; F2521-T2525 HydrophobicContact CZ-CG2 3.9Å; F2521-T2525 WeakPolarHBondContact O-CG2 3.16Å; F2521-T2525 PolarHBondContact O-N 3.14Å; F2521-T2525 VanDerWaalsContact O-N 3.12Å; F2521-T2525 PolarHBondContact O-OG1 3.23Å; L2522-T2525 WeakPolarHBondContact CA-OG1 3.37Å; L2522-T2525 PolarHBondContact O-OG1 2.97Å; L2522-T2525 VanDerWaalsContact O-OG1 3.13Å; T2525-L2527 PolarHBondContact O-N 2.95Å |
| 2526 | N | 57.6 | Low | 73 | Confident | 139.5 Ų | 139.5 | 71.8 Ų | 71.8 | 75% | 0.746 | 40% | 0.395 | S | S | * | . | trans | -78.4 | 40.2 | -178.4 | -87.2 | -20 | 0 | 0 | 0 | 114.7 | L2522 N2524 S2528 S2530 | L2522-N2526 PolarHBondContact O-N 3.46Å; N2524-N2526 PolarHBondContact O-N 3.03Å; N2524-N2526 VanDerWaalsContact O-N 3.16Å; N2526-S2528 PolarHBondContact O-N 3.21Å; N2526-S2530 WeakPolarHBondContact O-CB 3.21Å | ||
| 2527 | L | 55.8 | Low | 72.7 | Confident | 115.25 Ų | 115.25 | 69.6 Ų | 69.6 | 60% | 0.603 | 39% | 0.391 | S | S | * | . | trans | -73.1 | 94.6 | 174.9 | -69.3 | 164.8 | 0 | 0 | 0 | 109.3 | T2525 A2529 S2530 | T2525-L2527 PolarHBondContact O-N 2.95Å; L2527-A2529 PolarHBondContact O-N 3.3Å; L2527-S2530 VanDerWaalsContact O-CB 3.23Å; L2527-S2530 WeakPolarHBondContact O-CB 3.32Å; L2527-S2530 PolarHBondContact O-N 2.9Å | ||
| 2528 | S | 50 | Low | 72.5 | Confident | 108.5 Ų | 108.5 | 66.3 Ų | 66.3 | 76% | 0.759 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -60.5 | -26.5 | 178.2 | 159.5 | 0 | 0 | 0 | 0 | 113.8 | N2526 S2530 L2531 | N2526-S2528 PolarHBondContact O-N 3.21Å; S2528-S2530 VanDerWaalsContact C-N 3.3Å; S2528-S2530 PolarHBondContact O-N 3.11Å; S2528-L2531 PolarHBondContact O-N 3.43Å |
| 2529 | A | 50.9 | Low | 72.4 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -70.9 | -14.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2527 L2531 T2532 D2533 | L2527-A2529 PolarHBondContact O-N 3.3Å; A2529-L2531 VanDerWaalsContact C-N 3.28Å; A2529-L2531 PolarHBondContact O-N 3.08Å; A2529-T2532 PolarHBondContact O-N 3.22Å; A2529-T2532 PolarHBondContact O-OG1 3.22Å; A2529-D2533 PolarHBondContact O-N 3.12Å |
| 2530 | S | 53.8 | Low | 72.4 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 13% | 0.133 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -72 | -22.6 | -174 | 153.2 | 0 | 0 | 0 | 0 | 114.1 | L2522 N2526 L2527 S2528 R2540 | L2522-S2530 PolarHBondContact O-OG 3.14Å; N2526-S2530 WeakPolarHBondContact O-CB 3.21Å; L2527-S2530 VanDerWaalsContact O-CB 3.23Å; L2527-S2530 WeakPolarHBondContact O-CB 3.32Å; L2527-S2530 PolarHBondContact O-N 2.9Å; S2528-S2530 VanDerWaalsContact C-N 3.3Å; S2528-S2530 PolarHBondContact O-N 3.11Å; S2530-R2540 PolarHBondContact O-NH1 3.3Å; S2530-R2540 VanDerWaalsContact O-NH1 3.15Å; S2530-R2540 PolarHBondContact O-NH2 3.05Å; S2530-R2540 PolarHBondContact OG-NH1 3.2Å; S2530-R2540 PolarHBondContact OG-NH2 3.18Å |
| 2531 | L | 54.7 | Low | 72.3 | Confident | 98.5 Ų | 98.5 | 62.5 Ų | 62.5 | 52% | 0.516 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -82.2 | -20.1 | 176.3 | -70.7 | 168.4 | 0 | 0 | 0 | 112.4 | S2528 A2529 L2537 A3059 | S2528-L2531 PolarHBondContact O-N 3.43Å; A2529-L2531 VanDerWaalsContact C-N 3.28Å; A2529-L2531 PolarHBondContact O-N 3.08Å; L2531-L2537 HydrophobicContact CD2-CD2 3.98Å; L2531-L2537 VanDerWaalsContact O-CD1 3.29Å; L2531-L2537 WeakPolarHBondContact O-CD1 3.47Å; L2531-A3059 HydrophobicContact CD1-CB 3.97Å; L2531-A3059 HydrophobicContact CD2-CB 4.42Å |
| 2532 | T | 62.9 | Low | 72.4 | Confident | 100.75 Ų | 100.75 | 57.5 Ų | 57.5 | 62% | 0.618 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -13.7 | 178.2 | 56 | 0 | 0 | 0 | 0 | 113.3 | A2529 P2534 | A2529-T2532 PolarHBondContact O-N 3.22Å; A2529-T2532 PolarHBondContact O-OG1 3.22Å; T2532-P2534 VanDerWaalsContact O-CD 3.27Å; T2532-P2534 WeakPolarHBondContact O-CD 3.4Å |
| 2533 | D | 74 | Confident | 72.6 | Confident | 66.5 Ų | 66.5 | 57.4 Ų | 57.4 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | trans | -74.6 | 112.2 | 177 | 176.9 | 22.3 | 0 | 0 | 0 | 110.8 | A2529 L2535 G2536 L2537 | A2529-D2533 PolarHBondContact O-N 3.12Å; D2533-L2535 VanDerWaalsContact C-N 3.26Å; D2533-L2535 PolarHBondContact O-N 3.07Å; D2533-L2535 PolarHBondContact OD1-N 3.26Å; D2533-L2535 VanDerWaalsContact OD1-N 3.13Å; D2533-G2536 PolarHBondContact O-N 3.24Å; D2533-G2536 WeakPolarHBondContact OD2-CA 3.15Å; D2533-G2536 PolarHBondContact OD2-N 3.12Å; D2533-L2537 PolarHBondContact O-N 2.87Å; D2533-L2537 VanDerWaalsContact O-N 3.09Å | ||
| 2534 | P | 79 | Confident | 72.8 | Confident | 47.75 Ų | 47.75 | 56.2 Ų | 56.2 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -34.7 | 179.2 | 19 | -28.4 | 0 | 0 | 0 | 112.6 | Y2442 A2443 T2532 L2537 R2538 | Y2442-P2534 HydrophobicContact CD1-CB 4.17Å; Y2442-P2534 HydrophobicContact CD1-CG 3.65Å; Y2442-P2534 HydrophobicContact CE1-CB 4.09Å; Y2442-P2534 HydrophobicContact CE1-CG 3.71Å; Y2442-P2534 HydrophobicContact CG-CB 4.42Å; A2443-P2534 HydrophobicContact CB-CB 4.04Å; T2532-P2534 VanDerWaalsContact O-CD 3.27Å; T2532-P2534 WeakPolarHBondContact O-CD 3.4Å; P2534-L2537 PolarHBondContact O-N 3.18Å; P2534-R2538 WeakPolarHBondContact O-CB 3.35Å; P2534-R2538 PolarHBondContact O-N 3.35Å |
| 2535 | L | 84.3 | Confident | 73.1 | Confident | 38.5 Ų | 38.5 | 51.5 Ų | 51.5 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.3 | -43.8 | -179.4 | -156.5 | 82.1 | 0 | 0 | 0 | 110.8 | P2409 V2412 T2413 A2443 D2533 L2537 R2538 L2539 | P2409-L2535 HydrophobicContact CB-CD1 3.95Å; P2409-L2535 HydrophobicContact CB-CD2 3.74Å; V2412-L2535 HydrophobicContact CG1-CD1 4.08Å; V2412-L2535 HydrophobicContact CG1-CD2 4.48Å; V2412-L2535 HydrophobicContact CG1-CG 4.33Å; T2413-L2535 HydrophobicContact CG2-CD1 4.46Å; T2413-L2535 HydrophobicContact CG2-CD2 3.38Å; T2413-L2535 WeakPolarHBondContact OG1-CD1 3.36Å; A2443-L2535 HydrophobicContact CB-CD2 3.92Å; D2533-L2535 VanDerWaalsContact C-N 3.26Å; D2533-L2535 PolarHBondContact O-N 3.07Å; D2533-L2535 PolarHBondContact OD1-N 3.26Å; D2533-L2535 VanDerWaalsContact OD1-N 3.13Å; L2535-L2537 VanDerWaalsContact C-N 3.32Å; L2535-L2537 PolarHBondContact O-N 3.09Å; L2535-R2538 PolarHBondContact O-N 3.14Å; L2535-L2539 VanDerWaalsContact O-CB 3.29Å; L2535-L2539 WeakPolarHBondContact O-CB 3.32Å; L2535-L2539 PolarHBondContact O-N 3.2Å |
| 2536 | G | 83.6 | Confident | 73.7 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D2533 L2539 R2540 | D2533-G2536 PolarHBondContact O-N 3.24Å; D2533-G2536 WeakPolarHBondContact OD2-CA 3.15Å; D2533-G2536 PolarHBondContact OD2-N 3.12Å; G2536-L2539 PolarHBondContact O-N 3.17Å; G2536-R2540 VanDerWaalsContact C-NH1 3.29Å; G2536-R2540 VanDerWaalsContact O-CG 3.3Å; G2536-R2540 WeakPolarHBondContact O-CG 3.31Å; G2536-R2540 PolarHBondContact O-N 3.08Å; G2536-R2540 PolarHBondContact O-NH1 2.73Å |
| 2537 | L | 81.8 | Confident | 74.8 | Confident | 62.5 Ų | 62.5 | 48.1 Ų | 48.1 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.3 | -92.4 | 156.5 | 0 | 0 | 0 | 112.1 | A2439 L2531 D2533 P2534 L2535 L2539 R2540 L2541 | A2439-L2537 HydrophobicContact CB-CD2 4.4Å; L2531-L2537 HydrophobicContact CD2-CD2 3.98Å; L2531-L2537 VanDerWaalsContact O-CD1 3.29Å; L2531-L2537 WeakPolarHBondContact O-CD1 3.47Å; D2533-L2537 PolarHBondContact O-N 2.87Å; D2533-L2537 VanDerWaalsContact O-N 3.09Å; P2534-L2537 PolarHBondContact O-N 3.18Å; L2535-L2537 VanDerWaalsContact C-N 3.32Å; L2535-L2537 PolarHBondContact O-N 3.09Å; L2537-L2539 VanDerWaalsContact C-N 3.31Å; L2537-L2539 PolarHBondContact O-N 2.94Å; L2537-R2540 PolarHBondContact O-N 3.24Å; L2537-L2541 HydrophobicContact CG-CD1 4.18Å; L2537-L2541 WeakPolarHBondContact O-CB 3.35Å; L2537-L2541 WeakPolarHBondContact O-CG 3.26Å; L2537-L2541 PolarHBondContact O-N 2.98Å |
| 2538 | R | 84 | Confident | 75.9 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 177.8 | -167.1 | -173.7 | 178.1 | -168.6 | -3.2 | 111.6 | I2416 D2417 D2420 A2439 P2534 L2535 L2541 A2542 | I2416-R2538 HydrophobicContact CD1-CB 4.49Å; I2416-R2538 HydrophobicContact CD1-CG 4.21Å; I2416-R2538 HydrophobicContact CG2-CG 4.11Å; I2416-R2538 VanDerWaalsContact CG2-NE 3.31Å; D2417-R2538 IonicContact OD1-CZ 3.08Å; D2417-R2538 VanDerWaalsContact OD1-CZ 3.3Å; D2417-R2538 IonicContact OD1-NH1 3.44Å; D2417-R2538 PolarHBondContact OD1-NH1 3.02Å; D2417-R2538 VanDerWaalsContact OD1-NH1 3.11Å; D2417-R2538 IonicContact OD1-NH2 3.1Å; D2417-R2538 PolarHBondContact OD1-NH2 3.08Å; D2417-R2538 IonicContact OD2-NH1 3.2Å; D2420-R2538 IonicContact OD2-CZ 3.23Å; D2420-R2538 IonicContact OD2-NE 2.78Å; D2420-R2538 IonicContact OD2-NH2 3.23Å; D2420-R2538 PolarHBondContact OD2-NH2 3.12Å; A2439-R2538 HydrophobicContact CB-CB 4.36Å; P2534-R2538 WeakPolarHBondContact O-CB 3.35Å; P2534-R2538 PolarHBondContact O-N 3.35Å; L2535-R2538 PolarHBondContact O-N 3.14Å; R2538-L2541 WeakPolarHBondContact O-CB 3.28Å; R2538-L2541 PolarHBondContact O-N 3.19Å; R2538-A2542 WeakPolarHBondContact O-CB 3.34Å; R2538-A2542 PolarHBondContact O-N 3.12Å |
| 2539 | L | 87.5 | Confident | 77.3 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.9 | 174.7 | 60.8 | 0 | 0 | 0 | 111.9 | V2412 I2416 L2515 R2518 V2519 L2522 L2535 G2536 L2537 L2541 A2542 C2543 | V2412-L2539 HydrophobicContact CG1-CB 4.45Å; V2412-L2539 HydrophobicContact CG1-CD1 4.13Å; V2412-L2539 HydrophobicContact CG1-CD2 4.4Å; V2412-L2539 HydrophobicContact CG1-CG 4.47Å; I2416-L2539 HydrophobicContact CD1-CB 4.19Å; I2416-L2539 HydrophobicContact CD1-CD1 4.35Å; L2515-L2539 HydrophobicContact CB-CD1 4.05Å; L2515-L2539 HydrophobicContact CD2-CD1 3.41Å; L2515-L2539 VanDerWaalsContact CD2-CD1 3.44Å; L2515-L2539 HydrophobicContact CG-CD1 4.23Å; R2518-L2539 HydrophobicContact CB-CD2 4.24Å; R2518-L2539 HydrophobicContact CG-CD2 3.83Å; V2519-L2539 HydrophobicContact CG2-CD1 4.28Å; V2519-L2539 HydrophobicContact CG2-CD2 4.03Å; V2519-L2539 HydrophobicContact CG2-CG 3.65Å; L2522-L2539 HydrophobicContact CD1-CD2 3.86Å; L2535-L2539 VanDerWaalsContact O-CB 3.29Å; L2535-L2539 WeakPolarHBondContact O-CB 3.32Å; L2535-L2539 PolarHBondContact O-N 3.2Å; G2536-L2539 PolarHBondContact O-N 3.17Å; L2537-L2539 VanDerWaalsContact C-N 3.31Å; L2537-L2539 PolarHBondContact O-N 2.94Å; L2539-L2541 VanDerWaalsContact C-N 3.31Å; L2539-L2541 PolarHBondContact O-N 3.32Å; L2539-A2542 PolarHBondContact O-N 3.09Å; L2539-C2543 WeakPolarHBondContact O-CB 3.37Å; L2539-C2543 PolarHBondContact O-N 3.08Å; L2539-C2543 PolarHBondContact O-SG 3.46Å |
| 2540 | R | 84.9 | Confident | 78.8 | Confident | 29.75 Ų | 29.75 | 37.9 Ų | 37.9 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.5 | -72.1 | 178.2 | -164.8 | 109.2 | 2.1 | 111.7 | V2519 N2523 S2530 G2536 L2537 C2543 A2544 L3156 | V2519-R2540 HydrophobicContact CG1-CG 4.1Å; V2519-R2540 HydrophobicContact CG2-CG 4.41Å; N2523-R2540 PolarHBondContact OD1-NE 3.27Å; S2530-R2540 PolarHBondContact O-NH1 3.3Å; S2530-R2540 VanDerWaalsContact O-NH1 3.15Å; S2530-R2540 PolarHBondContact O-NH2 3.05Å; S2530-R2540 PolarHBondContact OG-NH1 3.2Å; S2530-R2540 PolarHBondContact OG-NH2 3.18Å; G2536-R2540 VanDerWaalsContact C-NH1 3.29Å; G2536-R2540 VanDerWaalsContact O-CG 3.3Å; G2536-R2540 WeakPolarHBondContact O-CG 3.31Å; G2536-R2540 PolarHBondContact O-N 3.08Å; G2536-R2540 PolarHBondContact O-NH1 2.73Å; L2537-R2540 PolarHBondContact O-N 3.24Å; R2540-C2543 PolarHBondContact O-N 2.94Å; R2540-A2544 VanDerWaalsContact O-CB 3.31Å; R2540-A2544 WeakPolarHBondContact O-CB 3.36Å; R2540-A2544 PolarHBondContact O-N 3.07Å; R2540-L3156 HydrophobicContact CB-CD1 4.12Å |
| 2541 | L | 82.2 | Confident | 79.9 | Confident | 32.5 Ų | 32.5 | 39.4 Ų | 39.4 | 17% | 0.17 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.4 | -94.6 | 149.4 | 0 | 0 | 0 | 111.9 | L2432 A2436 A2439 L2537 R2538 L2539 A2544 R2545 L3156 | L2432-L2541 HydrophobicContact CD1-CD2 3.46Å; L2432-L2541 VanDerWaalsContact CD1-CD2 3.49Å; L2432-L2541 HydrophobicContact CG-CD2 3.98Å; A2436-L2541 HydrophobicContact CB-CD2 3.8Å; A2439-L2541 HydrophobicContact CB-CD1 4.35Å; L2537-L2541 HydrophobicContact CG-CD1 4.18Å; L2537-L2541 WeakPolarHBondContact O-CB 3.35Å; L2537-L2541 WeakPolarHBondContact O-CG 3.26Å; L2537-L2541 PolarHBondContact O-N 2.98Å; R2538-L2541 WeakPolarHBondContact O-CB 3.28Å; R2538-L2541 PolarHBondContact O-N 3.19Å; L2539-L2541 VanDerWaalsContact C-N 3.31Å; L2539-L2541 PolarHBondContact O-N 3.32Å; L2541-A2544 PolarHBondContact O-N 3.2Å; L2541-R2545 WeakPolarHBondContact O-CB 3.31Å; L2541-R2545 VanDerWaalsContact O-CG 3.28Å; L2541-R2545 WeakPolarHBondContact O-CG 3.32Å; L2541-R2545 PolarHBondContact O-N 3.06Å; L2541-L3156 HydrophobicContact CD2-CD2 3.72Å |
| 2542 | A | 85.7 | Confident | 80.8 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | I2416 L2424 R2538 L2539 A2544 R2545 V2546 | I2416-A2542 HydrophobicContact CB-CB 4.47Å; I2416-A2542 HydrophobicContact CD1-CB 4.37Å; I2416-A2542 HydrophobicContact CG1-CB 3.98Å; I2416-A2542 HydrophobicContact CG2-CB 3.87Å; L2424-A2542 HydrophobicContact CD1-CB 4.45Å; R2538-A2542 WeakPolarHBondContact O-CB 3.34Å; R2538-A2542 PolarHBondContact O-N 3.12Å; L2539-A2542 PolarHBondContact O-N 3.09Å; A2542-A2544 VanDerWaalsContact C-N 3.33Å; A2542-A2544 PolarHBondContact O-N 3.24Å; A2542-R2545 PolarHBondContact O-N 3.13Å; A2542-R2545 VanDerWaalsContact O-N 3.13Å; A2542-V2546 WeakPolarHBondContact O-CG2 3.39Å; A2542-V2546 PolarHBondContact O-N 3.09Å |
| 2543 | C | 86.3 | Confident | 81.3 | Confident | 24.75 Ų | 24.75 | 31.8 Ų | 31.8 | 17% | 0.167 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 177.2 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | V2519 L2539 R2540 R2545 V2546 R2547 | V2519-C2543 HydrophobicContact CG2-CB 4.07Å; V2519-C2543 VanDerWaalsContact CG2-SG 3.56Å; L2539-C2543 WeakPolarHBondContact O-CB 3.37Å; L2539-C2543 PolarHBondContact O-N 3.08Å; L2539-C2543 PolarHBondContact O-SG 3.46Å; R2540-C2543 PolarHBondContact O-N 2.94Å; C2543-R2545 VanDerWaalsContact C-N 3.32Å; C2543-R2545 PolarHBondContact O-N 3.36Å; C2543-V2546 PolarHBondContact O-N 3.13Å; C2543-R2547 VanDerWaalsContact O-CB 3.3Å; C2543-R2547 WeakPolarHBondContact O-CB 3.34Å; C2543-R2547 PolarHBondContact O-N 3.12Å |
| 2544 | A | 79.2 | Confident | 81.3 | Confident | 33.75 Ų | 33.75 | 31.3 Ų | 31.3 | 28% | 0.279 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2540 L2541 A2542 R2547 G2548 L3156 V3160 | R2540-A2544 VanDerWaalsContact O-CB 3.31Å; R2540-A2544 WeakPolarHBondContact O-CB 3.36Å; R2540-A2544 PolarHBondContact O-N 3.07Å; L2541-A2544 PolarHBondContact O-N 3.2Å; A2542-A2544 VanDerWaalsContact C-N 3.33Å; A2542-A2544 PolarHBondContact O-N 3.24Å; A2544-R2547 PolarHBondContact O-N 3.02Å; A2544-G2548 PolarHBondContact O-N 3.08Å; A2544-L3156 HydrophobicContact CB-CB 4.33Å; A2544-V3160 HydrophobicContact CB-CG2 3.82Å |
| 2545 | R | 84 | Confident | 80.9 | Confident | 30 Ų | 30 | 30.2 Ų | 30.2 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.2 | -40.4 | 176.4 | -72.5 | 168.2 | 65.4 | -150.4 | 3.6 | 112.7 | D2420 L2424 P2425 L2432 L2541 A2542 C2543 R2547 G2548 L2549 V3160 | D2420-R2545 IonicContact OD1-CZ 3.41Å; D2420-R2545 VanDerWaalsContact OD1-CZ 3.3Å; D2420-R2545 IonicContact OD1-NH1 3.62Å; D2420-R2545 PolarHBondContact OD1-NH1 3.03Å; D2420-R2545 IonicContact OD1-NH2 3.1Å; D2420-R2545 PolarHBondContact OD1-NH2 3.12Å; D2420-R2545 VanDerWaalsContact OD1-NH2 3.11Å; L2424-R2545 VanDerWaalsContact CB-CZ 3.47Å; L2424-R2545 HydrophobicContact CD1-CB 4.15Å; L2424-R2545 HydrophobicContact CD2-CB 3.93Å; L2424-R2545 HydrophobicContact CG-CB 4.47Å; L2424-R2545 PolarHBondContact O-NH2 2.85Å; P2425-R2545 PolarHBondContact O-NH2 3.05Å; L2432-R2545 HydrophobicContact CD2-CG 4.25Å; L2541-R2545 WeakPolarHBondContact O-CB 3.31Å; L2541-R2545 VanDerWaalsContact O-CG 3.28Å; L2541-R2545 WeakPolarHBondContact O-CG 3.32Å; L2541-R2545 PolarHBondContact O-N 3.06Å; A2542-R2545 PolarHBondContact O-N 3.13Å; A2542-R2545 VanDerWaalsContact O-N 3.13Å; C2543-R2545 VanDerWaalsContact C-N 3.32Å; C2543-R2545 PolarHBondContact O-N 3.36Å; R2545-R2547 VanDerWaalsContact C-N 3.34Å; R2545-G2548 PolarHBondContact O-N 3.04Å; R2545-L2549 VanDerWaalsContact O-CB 3.31Å; R2545-L2549 WeakPolarHBondContact O-CB 3.37Å; R2545-L2549 PolarHBondContact O-N 2.99Å; R2545-V3160 HydrophobicContact CG-CG1 4.24Å; R2545-V3160 HydrophobicContact CG-CG2 3.8Å |
| 2546 | V | 85.1 | Confident | 80.1 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 9% | 0.085 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 172.4 | 173 | 0 | 0 | 0 | 0 | 110.1 | L2419 L2424 L2512 A2542 C2543 G2548 L2549 L2550 | L2419-V2546 HydrophobicContact CD1-CG2 4.18Å; L2424-V2546 HydrophobicContact CD1-CG2 4.45Å; L2424-V2546 HydrophobicContact CD2-CB 4.44Å; L2424-V2546 HydrophobicContact CD2-CG2 3.79Å; L2512-V2546 HydrophobicContact CD1-CG1 4.05Å; L2512-V2546 HydrophobicContact CD2-CG1 4.04Å; L2512-V2546 HydrophobicContact CD2-CG2 3.89Å; L2512-V2546 HydrophobicContact CG-CG1 4.46Å; A2542-V2546 WeakPolarHBondContact O-CG2 3.39Å; A2542-V2546 PolarHBondContact O-N 3.09Å; C2543-V2546 PolarHBondContact O-N 3.13Å; V2546-G2548 VanDerWaalsContact C-N 3.33Å; V2546-G2548 PolarHBondContact O-N 3.07Å; V2546-L2549 WeakPolarHBondContact O-CB 3.38Å; V2546-L2549 PolarHBondContact O-N 3.13Å; V2546-L2549 VanDerWaalsContact O-N 3.09Å; V2546-L2550 HydrophobicContact CG1-CD1 4.08Å; V2546-L2550 HydrophobicContact CG1-CG 4.42Å; V2546-L2550 WeakPolarHBondContact O-CG 3.32Å; V2546-L2550 PolarHBondContact O-N 3.07Å |
| 2547 | R | 81.2 | Confident | 79 | Confident | 103.5 Ų | 103.5 | 36.1 Ų | 36.1 | 39% | 0.391 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 178.5 | -174.5 | 179.7 | 133.2 | 80 | 4.4 | 112.2 | C2543 A2544 R2545 L2549 L2550 D2551 E2556 L3157 | C2543-R2547 VanDerWaalsContact O-CB 3.3Å; C2543-R2547 WeakPolarHBondContact O-CB 3.34Å; C2543-R2547 PolarHBondContact O-N 3.12Å; A2544-R2547 PolarHBondContact O-N 3.02Å; R2545-R2547 VanDerWaalsContact C-N 3.34Å; R2547-L2549 VanDerWaalsContact C-N 3.31Å; R2547-L2549 PolarHBondContact O-N 3.31Å; R2547-L2550 PolarHBondContact O-N 3.4Å; R2547-D2551 PolarHBondContact O-N 3.13Å; R2547-D2551 VanDerWaalsContact O-N 3.12Å; R2547-E2556 WeakPolarHBondContact CD-OE1 3.13Å; R2547-E2556 WeakPolarHBondContact CG-OE1 3.31Å; R2547-E2556 IonicContact CZ-OE1 3.01Å; R2547-E2556 IonicContact CZ-OE2 3.48Å; R2547-E2556 IonicContact NE-OE1 3.7Å; R2547-E2556 PolarHBondContact NE-OE1 3.22Å; R2547-E2556 IonicContact NH1-OE1 3.07Å; R2547-E2556 PolarHBondContact NH1-OE1 3.08Å; R2547-E2556 IonicContact NH1-OE2 3.07Å; R2547-E2556 PolarHBondContact NH1-OE2 3.25Å; R2547-E2556 IonicContact NH2-OE1 3.59Å; R2547-E2556 PolarHBondContact NH2-OE1 3.39Å; R2547-E2556 IonicContact NH2-OE2 3.52Å; R2547-E2556 PolarHBondContact NH2-OE2 3.19Å; R2547-L3157 HydrophobicContact CB-CD1 4.21Å; R2547-L3157 VanDerWaalsContact CD-CD1 3.42Å; R2547-L3157 HydrophobicContact CG-CD1 3.74Å; R2547-L3157 VanDerWaalsContact NE-CD1 3.34Å |
| 2548 | G | 77.8 | Confident | 78.1 | Confident | 31.75 Ų | 31.75 | 33.7 Ų | 33.7 | 33% | 0.327 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.4 | -31.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | A2544 R2545 V2546 L2550 D2551 Q3164 | A2544-G2548 PolarHBondContact O-N 3.08Å; R2545-G2548 PolarHBondContact O-N 3.04Å; V2546-G2548 VanDerWaalsContact C-N 3.33Å; V2546-G2548 PolarHBondContact O-N 3.07Å; G2548-L2550 VanDerWaalsContact C-N 3.29Å; G2548-L2550 PolarHBondContact O-N 3.48Å; G2548-D2551 WeakPolarHBondContact O-CA 3.22Å; G2548-D2551 WeakPolarHBondContact O-CB 3.34Å; G2548-D2551 PolarHBondContact O-N 2.95Å; G2548-Q3164 VanDerWaalsContact CA-OE1 3.27Å; G2548-Q3164 VanDerWaalsContact O-CD 3.27Å; G2548-Q3164 PolarHBondContact O-NE2 3.04Å; G2548-Q3164 PolarHBondContact O-OE1 2.99Å |
| 2549 | L | 81.2 | Confident | 76.7 | Confident | 21.25 Ų | 21.25 | 35.1 Ų | 35.1 | 11% | 0.111 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.5 | -38.7 | 177 | -178.9 | 76.3 | 0 | 0 | 0 | 112.7 | V2423 L2424 P2425 E2505 R2545 V2546 R2547 D2551 | V2423-L2549 HydrophobicContact CG1-CD2 3.55Å; V2423-L2549 VanDerWaalsContact CG1-CD2 3.47Å; L2424-L2549 HydrophobicContact CD2-CD2 4.41Å; P2425-L2549 VanDerWaalsContact CD-CD1 3.41Å; P2425-L2549 HydrophobicContact CG-CD1 3.88Å; E2505-L2549 HydrophobicContact CB-CD2 4.03Å; E2505-L2549 HydrophobicContact CB-CG 4.32Å; E2505-L2549 HydrophobicContact CG-CD2 4.24Å; R2545-L2549 VanDerWaalsContact O-CB 3.31Å; R2545-L2549 WeakPolarHBondContact O-CB 3.37Å; R2545-L2549 PolarHBondContact O-N 2.99Å; V2546-L2549 WeakPolarHBondContact O-CB 3.38Å; V2546-L2549 PolarHBondContact O-N 3.13Å; V2546-L2549 VanDerWaalsContact O-N 3.09Å; R2547-L2549 VanDerWaalsContact C-N 3.31Å; R2547-L2549 PolarHBondContact O-N 3.31Å; L2549-D2551 PolarHBondContact O-N 2.9Å |
| 2550 | L | 81.1 | Confident | 75.2 | Confident | 19.5 Ų | 19.5 | 36.3 Ų | 36.3 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.8 | -26.6 | 176.3 | -66.1 | 170.1 | 0 | 0 | 0 | 112 | E2505 Y2506 W2509 V2546 R2547 G2548 L2552 H2842 R2845 | E2505-L2550 HydrophobicContact CB-CD2 4.29Å; E2505-L2550 HydrophobicContact CG-CD2 4.06Å; Y2506-L2550 HydrophobicContact CE1-CD2 4.23Å; W2509-L2550 HydrophobicContact CH2-CD1 4.16Å; W2509-L2550 HydrophobicContact CZ3-CD1 3.86Å; W2509-L2550 HydrophobicContact CZ3-CD2 4.42Å; V2546-L2550 HydrophobicContact CG1-CD1 4.08Å; V2546-L2550 HydrophobicContact CG1-CG 4.42Å; V2546-L2550 WeakPolarHBondContact O-CG 3.32Å; V2546-L2550 PolarHBondContact O-N 3.07Å; R2547-L2550 PolarHBondContact O-N 3.4Å; G2548-L2550 VanDerWaalsContact C-N 3.29Å; G2548-L2550 PolarHBondContact O-N 3.48Å; L2550-L2552 HydrophobicContact CB-CD1 4.15Å; L2550-L2552 HydrophobicContact CB-CD2 4.43Å; L2550-L2552 HydrophobicContact CB-CG 3.97Å; L2550-L2552 HydrophobicContact CD1-CD1 4.14Å; L2550-L2552 PolarHBondContact O-N 3.14Å; L2550-L2552 VanDerWaalsContact O-N 3.14Å; L2550-H2842 PolarHBondContact O-NE2 3.15Å; L2550-H2842 VanDerWaalsContact O-NE2 3.09Å; L2550-R2845 PolarHBondContact O-NH2 3.07Å |
| 2551 | D | 77.7 | Confident | 73.8 | Confident | 49.5 Ų | 49.5 | 36.2 Ų | 36.2 | 27% | 0.265 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 44.5 | 179 | -168.5 | 29.2 | 0 | 0 | 0 | 113.7 | R2547 G2548 L2549 G2553 H2842 R2845 Q2888 K2895 | R2547-D2551 PolarHBondContact O-N 3.13Å; R2547-D2551 VanDerWaalsContact O-N 3.12Å; G2548-D2551 WeakPolarHBondContact O-CA 3.22Å; G2548-D2551 WeakPolarHBondContact O-CB 3.34Å; G2548-D2551 PolarHBondContact O-N 2.95Å; L2549-D2551 PolarHBondContact O-N 2.9Å; D2551-G2553 PolarHBondContact O-N 3.37Å; D2551-H2842 PolarHBondContact O-CE1 2.93Å; D2551-H2842 VanDerWaalsContact O-CE1 3.26Å; D2551-H2842 PolarHBondContact O-NE2 3.26Å; D2551-R2845 IonicContact OD2-CZ 3.52Å; D2551-R2845 IonicContact OD2-NH1 3.86Å; D2551-R2845 PolarHBondContact OD2-NH1 3.11Å; D2551-R2845 IonicContact OD2-NH2 2.76Å; D2551-Q2888 PolarHBondContact O-NE2 3.28Å; D2551-K2895 VanDerWaalsContact CG-NZ 3.32Å; D2551-K2895 IonicContact OD1-NZ 3.79Å; D2551-K2895 PolarHBondContact OD1-NZ 3.11Å; D2551-K2895 IonicContact OD2-NZ 3.31Å; D2551-K2895 PolarHBondContact OD2-NZ 3.26Å |
| 2552 | L | 74.4 | Confident | 72.3 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | trans | -59.5 | -18.8 | -178.5 | -65.4 | 168.3 | 0 | 0 | 0 | 112.7 | L2550 L2554 M2555 E2556 F2561 | L2550-L2552 HydrophobicContact CB-CD1 4.15Å; L2550-L2552 HydrophobicContact CB-CD2 4.43Å; L2550-L2552 HydrophobicContact CB-CG 3.97Å; L2550-L2552 HydrophobicContact CD1-CD1 4.14Å; L2550-L2552 PolarHBondContact O-N 3.14Å; L2550-L2552 VanDerWaalsContact O-N 3.14Å; L2552-L2554 PolarHBondContact O-N 3.15Å; L2552-L2554 VanDerWaalsContact O-N 3.14Å; L2552-M2555 HydrophobicContact CB-CB 4.46Å; L2552-M2555 WeakPolarHBondContact O-CA 3.35Å; L2552-M2555 WeakPolarHBondContact O-CB 3.42Å; L2552-M2555 VanDerWaalsContact O-CG 3.31Å; L2552-M2555 WeakPolarHBondContact O-CG 3.32Å; L2552-M2555 PolarHBondContact O-N 3.17Å; L2552-E2556 HydrophobicContact CB-CB 4.3Å; L2552-E2556 HydrophobicContact CB-CG 3.75Å; L2552-E2556 VanDerWaalsContact CB-CG 3.49Å; L2552-E2556 HydrophobicContact CD1-CG 4.07Å; L2552-E2556 HydrophobicContact CG-CG 4.46Å; L2552-E2556 PolarHBondContact O-N 2.82Å; L2552-F2561 HydrophobicContact CD1-CE1 3.78Å; L2552-F2561 HydrophobicContact CD1-CE2 4.13Å; L2552-F2561 HydrophobicContact CD1-CZ 3.44Å; L2552-F2561 VanDerWaalsContact CD1-CZ 3.42Å; L2552-F2561 HydrophobicContact CD2-CE1 3.93Å; L2552-F2561 HydrophobicContact CD2-CE2 4.16Å; L2552-F2561 HydrophobicContact CD2-CZ 3.94Å; L2552-F2561 HydrophobicContact CG-CE2 4.49Å; L2552-F2561 HydrophobicContact CG-CZ 4.29Å | ||
| 2553 | G | 72.8 | Confident | 70.6 | Confident | 27.75 Ų | 27.75 | 43.2 Ų | 43.2 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | 31.5 | -99.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D2551 M2555 E2556 | D2551-G2553 PolarHBondContact O-N 3.37Å; G2553-M2555 PolarHBondContact O-N 2.95Å; G2553-E2556 PolarHBondContact O-N 3.39Å |
| 2554 | L | 73.7 | Confident | 68.7 | Low | 54.75 Ų | 54.75 | 48.3 Ų | 48.3 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -70 | -21.8 | 176.9 | -68.5 | 177.8 | 0 | 0 | 0 | 113.7 | L2552 E2556 Q2557 A2884 A2887 Q2888 Y2935 L2938 Y2986 | L2552-L2554 PolarHBondContact O-N 3.15Å; L2552-L2554 VanDerWaalsContact O-N 3.14Å; L2554-E2556 VanDerWaalsContact C-N 3.29Å; L2554-E2556 PolarHBondContact O-N 3.2Å; L2554-Q2557 PolarHBondContact O-N 3.35Å; L2554-A2884 HydrophobicContact CB-CB 4.31Å; L2554-A2884 HydrophobicContact CD1-CB 4.36Å; L2554-A2884 WeakPolarHBondContact CD1-O 3.37Å; L2554-A2887 HydrophobicContact CD1-CB 3.73Å; L2554-Q2888 HydrophobicContact CB-CB 4.29Å; L2554-Y2935 HydrophobicContact CD1-CD1 4.04Å; L2554-Y2935 HydrophobicContact CD1-CE1 3.66Å; L2554-L2938 HydrophobicContact CD1-CD2 3.62Å; L2554-L2938 HydrophobicContact CG-CD2 4.3Å; L2554-Y2986 HydrophobicContact CD2-CD2 4.1Å; L2554-Y2986 HydrophobicContact CD2-CE2 3.68Å |
| 2555 | M | 70.4 | Confident | 67.2 | Low | 24.5 Ų | 24.5 | 48.7 Ų | 48.7 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -78.8 | -25.6 | -174.9 | -62.2 | -168.2 | 65.6 | 0 | 0 | 112.4 | L2552 G2553 Q2557 S2558 F2561 H2839 H2842 M2885 Q2888 | L2552-M2555 HydrophobicContact CB-CB 4.46Å; L2552-M2555 WeakPolarHBondContact O-CA 3.35Å; L2552-M2555 WeakPolarHBondContact O-CB 3.42Å; L2552-M2555 VanDerWaalsContact O-CG 3.31Å; L2552-M2555 WeakPolarHBondContact O-CG 3.32Å; L2552-M2555 PolarHBondContact O-N 3.17Å; G2553-M2555 PolarHBondContact O-N 2.95Å; M2555-Q2557 PolarHBondContact O-N 3.2Å; M2555-Q2557 VanDerWaalsContact O-N 3.11Å; M2555-S2558 WeakPolarHBondContact O-CA 3.49Å; M2555-S2558 WeakPolarHBondContact O-CB 3.33Å; M2555-S2558 PolarHBondContact O-N 3.3Å; M2555-F2561 VanDerWaalsContact C-CD2 3.5Å; M2555-F2561 HydrophobicContact CB-CD2 4.48Å; M2555-F2561 HydrophobicContact CB-CE2 3.96Å; M2555-F2561 HydrophobicContact CB-CZ 3.63Å; M2555-F2561 HydrophobicContact CE-CE2 4.31Å; M2555-F2561 WeakPolarHBondContact O-CD2 3.4Å; M2555-F2561 WeakPolarHBondContact O-CE2 3.47Å; M2555-H2839 VanDerWaalsContact CE-CA 3.41Å; M2555-H2839 HydrophobicContact CE-CB 3.79Å; M2555-H2839 WeakPolarHBondContact CE-CD2 3.32Å; M2555-H2842 HydrophobicContact CE-CB 3.87Å; M2555-H2842 HydrophobicContact SD-CB 3.54Å; M2555-H2842 VanDerWaalsContact SD-CB 3.6Å; M2555-H2842 WeakPolarHBondContact SD-CB 3.44Å; M2555-M2885 HydrophobicContact CB-CE 4.05Å; M2555-M2885 HydrophobicContact CB-SD 4.07Å; M2555-M2885 HydrophobicContact CE-CE 4.3Å; M2555-M2885 HydrophobicContact CE-SD 3.63Å; M2555-M2885 VanDerWaalsContact CE-SD 3.53Å; M2555-M2885 HydrophobicContact CG-CE 4.2Å; M2555-M2885 HydrophobicContact CG-SD 3.57Å; M2555-M2885 VanDerWaalsContact CG-SD 3.57Å; M2555-M2885 HydrophobicContact SD-SD 4.27Å; M2555-Q2888 HydrophobicContact CG-CB 3.92Å; M2555-Q2888 HydrophobicContact CG-CG 3.76Å; M2555-Q2888 HydrophobicContact SD-CB 4.35Å; M2555-Q2888 HydrophobicContact SD-CG 3.82Å |
| 2556 | E | 67.5 | Low | 66 | Low | 54 Ų | 54 | 49.7 Ų | 49.7 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -61.5 | -24.6 | 176.1 | -90.1 | -175.4 | 178.7 | 0 | 0 | 112.9 | R2547 L2552 G2553 L2554 S2558 F2561 | R2547-E2556 WeakPolarHBondContact CD-OE1 3.13Å; R2547-E2556 WeakPolarHBondContact CG-OE1 3.31Å; R2547-E2556 IonicContact CZ-OE1 3.01Å; R2547-E2556 IonicContact CZ-OE2 3.48Å; R2547-E2556 IonicContact NE-OE1 3.7Å; R2547-E2556 PolarHBondContact NE-OE1 3.22Å; R2547-E2556 IonicContact NH1-OE1 3.07Å; R2547-E2556 PolarHBondContact NH1-OE1 3.08Å; R2547-E2556 IonicContact NH1-OE2 3.07Å; R2547-E2556 PolarHBondContact NH1-OE2 3.25Å; R2547-E2556 IonicContact NH2-OE1 3.59Å; R2547-E2556 PolarHBondContact NH2-OE1 3.39Å; R2547-E2556 IonicContact NH2-OE2 3.52Å; R2547-E2556 PolarHBondContact NH2-OE2 3.19Å; L2552-E2556 HydrophobicContact CB-CB 4.3Å; L2552-E2556 HydrophobicContact CB-CG 3.75Å; L2552-E2556 VanDerWaalsContact CB-CG 3.49Å; L2552-E2556 HydrophobicContact CD1-CG 4.07Å; L2552-E2556 HydrophobicContact CG-CG 4.46Å; L2552-E2556 PolarHBondContact O-N 2.82Å; G2553-E2556 PolarHBondContact O-N 3.39Å; L2554-E2556 VanDerWaalsContact C-N 3.29Å; L2554-E2556 PolarHBondContact O-N 3.2Å; E2556-S2558 VanDerWaalsContact C-N 3.27Å; E2556-S2558 PolarHBondContact O-N 2.84Å; E2556-F2561 HydrophobicContact CB-CD1 4.41Å; E2556-F2561 HydrophobicContact CG-CD1 3.68Å; E2556-F2561 HydrophobicContact CG-CE1 3.77Å; E2556-F2561 HydrophobicContact CG-CG 4.28Å; E2556-F2561 HydrophobicContact CG-CZ 4.46Å |
| 2557 | Q | 61.4 | Low | 65.3 | Low | 111 Ų | 111 | 49.9 Ų | 49.9 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -81.1 | -5.2 | 175.7 | -59 | -177.8 | 3.3 | 0 | 0 | 112.8 | L2554 M2555 I2821 | L2554-Q2557 PolarHBondContact O-N 3.35Å; M2555-Q2557 PolarHBondContact O-N 3.2Å; M2555-Q2557 VanDerWaalsContact O-N 3.11Å; Q2557-I2821 WeakPolarHBondContact O-CG2 3.26Å |
| 2558 | S | 60.9 | Low | 65.1 | Low | 11.5 Ų | 11.5 | 45.6 Ų | 45.6 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -63.8 | 139.6 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | M2555 E2556 L2560 F2561 M2885 | M2555-S2558 WeakPolarHBondContact O-CA 3.49Å; M2555-S2558 WeakPolarHBondContact O-CB 3.33Å; M2555-S2558 PolarHBondContact O-N 3.3Å; E2556-S2558 VanDerWaalsContact C-N 3.27Å; E2556-S2558 PolarHBondContact O-N 2.84Å; S2558-L2560 PolarHBondContact O-N 3.14Å; S2558-L2560 VanDerWaalsContact O-N 3.11Å; S2558-L2560 PolarHBondContact OG-N 3.05Å; S2558-L2560 VanDerWaalsContact OG-N 3.16Å; S2558-F2561 PolarHBondContact O-N 3.21Å; S2558-M2885 VanDerWaalsContact OG-CE 3.27Å; S2558-M2885 WeakPolarHBondContact OG-CE 3.27Å |
| 2559 | P | 55.2 | Low | 65.2 | Low | 44.75 Ų | 44.75 | 44.9 Ų | 44.9 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.4 | -20.9 | 171.5 | 13.8 | -19.3 | 0 | 0 | 0 | 113 | F2561 N2562 N2563 I2821 L2824 L2827 L2835 A2881 | P2559-F2561 VanDerWaalsContact C-N 3.33Å; P2559-F2561 PolarHBondContact O-N 2.91Å; P2559-N2562 PolarHBondContact O-N 2.62Å; P2559-N2563 VanDerWaalsContact O-CB 3.29Å; P2559-N2563 WeakPolarHBondContact O-CB 3.4Å; P2559-I2821 HydrophobicContact CG-CG2 4.43Å; P2559-L2824 HydrophobicContact CB-CB 4.33Å; P2559-L2824 HydrophobicContact CB-CD1 3.89Å; P2559-L2824 HydrophobicContact CB-CD2 4.25Å; P2559-L2824 HydrophobicContact CG-CD1 3.78Å; P2559-L2824 HydrophobicContact CG-CD2 4.23Å; P2559-L2827 HydrophobicContact CB-CD1 4.22Å; P2559-L2827 HydrophobicContact CG-CD1 4.25Å; P2559-L2835 HydrophobicContact CG-CD1 4.35Å; P2559-A2881 VanDerWaalsContact CD-CB 3.43Å; P2559-A2881 HydrophobicContact CG-CB 4.11Å |
| 2560 | L | 55.8 | Low | 65.3 | Low | 28.25 Ų | 28.25 | 44.6 Ų | 44.6 | 15% | 0.148 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 174.3 | -65.3 | -176.2 | 0 | 0 | 0 | 112.9 | S2558 N2562 N2563 C2566 L2827 Q2832 L2835 I2836 | S2558-L2560 PolarHBondContact O-N 3.14Å; S2558-L2560 VanDerWaalsContact O-N 3.11Å; S2558-L2560 PolarHBondContact OG-N 3.05Å; S2558-L2560 VanDerWaalsContact OG-N 3.16Å; L2560-N2562 PolarHBondContact O-N 3.47Å; L2560-N2562 VanDerWaalsContact O-N 3.09Å; L2560-N2563 PolarHBondContact O-N 3.38Å; L2560-N2563 VanDerWaalsContact O-N 3.09Å; L2560-C2566 WeakPolarHBondContact O-CA 3.47Å; L2560-C2566 WeakPolarHBondContact O-CB 3.49Å; L2560-C2566 PolarHBondContact O-SG 3.11Å; L2560-L2827 HydrophobicContact CD2-CD1 4.43Å; L2560-Q2832 HydrophobicContact CD2-CG 4.14Å; L2560-L2835 HydrophobicContact CD1-CB 3.47Å; L2560-L2835 VanDerWaalsContact CD1-CB 3.47Å; L2560-L2835 HydrophobicContact CD1-CD1 3.97Å; L2560-L2835 HydrophobicContact CD1-CG 4.34Å; L2560-L2835 HydrophobicContact CG-CB 4.35Å; L2560-L2835 HydrophobicContact CG-CD1 3.96Å; L2560-I2836 HydrophobicContact CD1-CG1 4.34Å |
| 2561 | F | 56 | Low | 65.6 | Low | 28.75 Ų | 28.75 | 44.3 Ų | 44.3 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -78.5 | -31.9 | -176.3 | -99 | -85 | 0 | 0 | 0 | 114.1 | L2552 M2555 E2556 S2558 P2559 N2563 I2568 H2839 | L2552-F2561 HydrophobicContact CD1-CE1 3.78Å; L2552-F2561 HydrophobicContact CD1-CE2 4.13Å; L2552-F2561 HydrophobicContact CD1-CZ 3.44Å; L2552-F2561 VanDerWaalsContact CD1-CZ 3.42Å; L2552-F2561 HydrophobicContact CD2-CE1 3.93Å; L2552-F2561 HydrophobicContact CD2-CE2 4.16Å; L2552-F2561 HydrophobicContact CD2-CZ 3.94Å; L2552-F2561 HydrophobicContact CG-CE2 4.49Å; L2552-F2561 HydrophobicContact CG-CZ 4.29Å; M2555-F2561 VanDerWaalsContact C-CD2 3.5Å; M2555-F2561 HydrophobicContact CB-CD2 4.48Å; M2555-F2561 HydrophobicContact CB-CE2 3.96Å; M2555-F2561 HydrophobicContact CB-CZ 3.63Å; M2555-F2561 HydrophobicContact CE-CE2 4.31Å; M2555-F2561 WeakPolarHBondContact O-CD2 3.4Å; M2555-F2561 WeakPolarHBondContact O-CE2 3.47Å; E2556-F2561 HydrophobicContact CB-CD1 4.41Å; E2556-F2561 HydrophobicContact CG-CD1 3.68Å; E2556-F2561 HydrophobicContact CG-CE1 3.77Å; E2556-F2561 HydrophobicContact CG-CG 4.28Å; E2556-F2561 HydrophobicContact CG-CZ 4.46Å; S2558-F2561 PolarHBondContact O-N 3.21Å; P2559-F2561 VanDerWaalsContact C-N 3.33Å; P2559-F2561 PolarHBondContact O-N 2.91Å; F2561-N2563 PolarHBondContact O-N 3.02Å; F2561-I2568 HydrophobicContact CD1-CD1 4.25Å; F2561-I2568 HydrophobicContact CD1-CG2 4.29Å; F2561-I2568 HydrophobicContact CD2-CD1 4.02Å; F2561-I2568 HydrophobicContact CD2-CG2 4.22Å; F2561-I2568 HydrophobicContact CE1-CD1 3.83Å; F2561-I2568 HydrophobicContact CE1-CG2 3.95Å; F2561-I2568 HydrophobicContact CE2-CD1 3.51Å; F2561-I2568 HydrophobicContact CE2-CG2 3.8Å; F2561-I2568 HydrophobicContact CG-CD1 4.35Å; F2561-I2568 HydrophobicContact CZ-CD1 3.45Å; F2561-I2568 VanDerWaalsContact CZ-CD1 3.45Å; F2561-I2568 HydrophobicContact CZ-CG1 4.38Å; F2561-I2568 HydrophobicContact CZ-CG2 4.24Å; F2561-H2839 AromaticContact CD2-NE2 3.53Å; F2561-H2839 VanDerWaalsContact CD2-NE2 3.29Å; F2561-H2839 WeakPolarHBondContact CD2-NE2 3.34Å; F2561-H2839 AromaticContact CE2-CD2 3.31Å; F2561-H2839 WeakPolarHBondContact CE2-CD2 3.23Å; F2561-H2839 AromaticContact CE2-NE2 2.89Å; F2561-H2839 WeakPolarHBondContact CE2-NE2 3.2Å; F2561-H2839 AromaticContact CZ-CD2 3.77Å; F2561-H2839 AromaticContact CZ-NE2 3.78Å |
| 2562 | N | 51.3 | Low | 66.1 | Low | 109.5 Ų | 109.5 | 42.4 Ų | 42.4 | 59% | 0.586 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.2 | -176.5 | -78.4 | -14.5 | 0 | 0 | 0 | 114 | P2559 L2560 P2564 | P2559-N2562 PolarHBondContact O-N 2.62Å; L2560-N2562 PolarHBondContact O-N 3.47Å; L2560-N2562 VanDerWaalsContact O-N 3.09Å; N2562-P2564 WeakPolarHBondContact O-CD 3.2Å |
| 2563 | N | 50.6 | Low | 66.6 | Low | 71.75 Ų | 71.75 | 43.2 Ų | 43.2 | 38% | 0.384 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -86.7 | 125.6 | 176.7 | -164.2 | -25.8 | 0 | 0 | 0 | 109.2 | P2559 L2560 F2561 S2565 C2566 | P2559-N2563 VanDerWaalsContact O-CB 3.29Å; P2559-N2563 WeakPolarHBondContact O-CB 3.4Å; L2560-N2563 PolarHBondContact O-N 3.38Å; L2560-N2563 VanDerWaalsContact O-N 3.09Å; F2561-N2563 PolarHBondContact O-N 3.02Å; N2563-S2565 VanDerWaalsContact CG-OG 3.24Å; N2563-S2565 PolarHBondContact ND2-OG 3.11Å; N2563-S2565 VanDerWaalsContact ND2-OG 3.08Å; N2563-S2565 PolarHBondContact O-N 3.26Å; N2563-S2565 VanDerWaalsContact O-N 3.08Å; N2563-S2565 VanDerWaalsContact OD1-CB 3.28Å; N2563-S2565 WeakPolarHBondContact OD1-CB 3.41Å; N2563-S2565 PolarHBondContact OD1-N 3.13Å; N2563-S2565 VanDerWaalsContact OD1-N 3.15Å; N2563-S2565 PolarHBondContact OD1-OG 3.28Å; N2563-S2565 VanDerWaalsContact OD1-OG 3.08Å; N2563-C2566 HydrophobicContact CB-CB 4.4Å; N2563-C2566 WeakPolarHBondContact O-CA 3.31Å; N2563-C2566 WeakPolarHBondContact O-CB 3.35Å; N2563-C2566 PolarHBondContact O-N 3.11Å |
| 2564 | P | 45.2 | Very low | 67.3 | Low | 131.5 Ų | 131.5 | 41.9 Ų | 41.9 | 85% | 0.854 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -14.7 | 172 | 22.8 | -33.4 | 0 | 0 | 0 | 113.2 | N2562 C2566 | N2562-P2564 WeakPolarHBondContact O-CD 3.2Å; P2564-C2566 VanDerWaalsContact C-N 3.3Å; P2564-C2566 PolarHBondContact O-N 3.21Å |
| 2565 | S | 49 | Very low | 67.9 | Low | 41.25 Ų | 41.25 | 39.5 Ų | 39.5 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 27.6 | 169.5 | 97.8 | 0 | 0 | 0 | 0 | 113.6 | N2563 T2567 N2711 | N2563-S2565 VanDerWaalsContact CG-OG 3.24Å; N2563-S2565 PolarHBondContact ND2-OG 3.11Å; N2563-S2565 VanDerWaalsContact ND2-OG 3.08Å; N2563-S2565 PolarHBondContact O-N 3.26Å; N2563-S2565 VanDerWaalsContact O-N 3.08Å; N2563-S2565 VanDerWaalsContact OD1-CB 3.28Å; N2563-S2565 WeakPolarHBondContact OD1-CB 3.41Å; N2563-S2565 PolarHBondContact OD1-N 3.13Å; N2563-S2565 VanDerWaalsContact OD1-N 3.15Å; N2563-S2565 PolarHBondContact OD1-OG 3.28Å; N2563-S2565 VanDerWaalsContact OD1-OG 3.08Å; S2565-T2567 VanDerWaalsContact O-CG2 3.31Å; S2565-T2567 WeakPolarHBondContact O-CG2 3.4Å; S2565-T2567 PolarHBondContact O-N 3.13Å; S2565-T2567 PolarHBondContact O-OG1 2.78Å; S2565-N2711 WeakPolarHBondContact CB-ND2 2.9Å; S2565-N2711 PolarHBondContact O-ND2 3.29Å; S2565-N2711 PolarHBondContact OG-ND2 3.47Å; S2565-N2711 VanDerWaalsContact OG-ND2 3.09Å |
| 2566 | C | 58.2 | Low | 68.6 | Low | 52.25 Ų | 52.25 | 39 Ų | 39 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | trans | -40.2 | 86.9 | 172.7 | -173 | 0 | 0 | 0 | 0 | 114.1 | L2560 N2563 P2564 I2568 G2569 A2570 | L2560-C2566 WeakPolarHBondContact O-CA 3.47Å; L2560-C2566 WeakPolarHBondContact O-CB 3.49Å; L2560-C2566 PolarHBondContact O-SG 3.11Å; N2563-C2566 HydrophobicContact CB-CB 4.4Å; N2563-C2566 WeakPolarHBondContact O-CA 3.31Å; N2563-C2566 WeakPolarHBondContact O-CB 3.35Å; N2563-C2566 PolarHBondContact O-N 3.11Å; P2564-C2566 VanDerWaalsContact C-N 3.3Å; P2564-C2566 PolarHBondContact O-N 3.21Å; C2566-I2568 PolarHBondContact O-N 3.06Å; C2566-I2568 WeakPolarHBondContact SG-CG2 3.21Å; C2566-I2568 PolarHBondContact SG-N 3.03Å; C2566-I2568 VanDerWaalsContact SG-N 3.44Å; C2566-G2569 PolarHBondContact O-N 2.85Å; C2566-A2570 PolarHBondContact O-N 3.29Å | ||
| 2567 | T | 69 | Low | 69.4 | Low | 18.25 Ų | 18.25 | 38 Ų | 38 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.3 | -175.9 | 54 | 0 | 0 | 0 | 0 | 112.2 | S2565 G2569 A2570 L2571 N2711 V2714 A2715 N2718 | S2565-T2567 VanDerWaalsContact O-CG2 3.31Å; S2565-T2567 WeakPolarHBondContact O-CG2 3.4Å; S2565-T2567 PolarHBondContact O-N 3.13Å; S2565-T2567 PolarHBondContact O-OG1 2.78Å; T2567-G2569 VanDerWaalsContact C-N 3.28Å; T2567-G2569 PolarHBondContact O-N 3.4Å; T2567-A2570 WeakPolarHBondContact O-CA 3.42Å; T2567-A2570 WeakPolarHBondContact O-CB 3.3Å; T2567-A2570 PolarHBondContact O-N 3.18Å; T2567-A2570 VanDerWaalsContact O-N 3.08Å; T2567-L2571 PolarHBondContact O-N 3.13Å; T2567-N2711 HydrophobicContact CG2-CB 4.04Å; T2567-V2714 HydrophobicContact CG2-CB 4.25Å; T2567-V2714 HydrophobicContact CG2-CG1 3.89Å; T2567-V2714 VanDerWaalsContact OG1-CG1 3.23Å; T2567-V2714 WeakPolarHBondContact OG1-CG1 3.31Å; T2567-A2715 HydrophobicContact CG2-CB 4.1Å; T2567-A2715 WeakPolarHBondContact OG1-CA 3.21Å; T2567-A2715 PolarHBondContact OG1-N 3.14Å; T2567-N2718 PolarHBondContact OG1-ND2 3.44Å |
| 2568 | I | 77.7 | Confident | 70.3 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.9 | -32.9 | 177.3 | -135 | 87 | 0 | 0 | 0 | 111.9 | W2509 F2561 C2566 A2570 L2571 Y2572 H2839 | W2509-I2568 HydrophobicContact CZ2-CG2 4.27Å; F2561-I2568 HydrophobicContact CD1-CD1 4.25Å; F2561-I2568 HydrophobicContact CD1-CG2 4.29Å; F2561-I2568 HydrophobicContact CD2-CD1 4.02Å; F2561-I2568 HydrophobicContact CD2-CG2 4.22Å; F2561-I2568 HydrophobicContact CE1-CD1 3.83Å; F2561-I2568 HydrophobicContact CE1-CG2 3.95Å; F2561-I2568 HydrophobicContact CE2-CD1 3.51Å; F2561-I2568 HydrophobicContact CE2-CG2 3.8Å; F2561-I2568 HydrophobicContact CG-CD1 4.35Å; F2561-I2568 HydrophobicContact CZ-CD1 3.45Å; F2561-I2568 VanDerWaalsContact CZ-CD1 3.45Å; F2561-I2568 HydrophobicContact CZ-CG1 4.38Å; F2561-I2568 HydrophobicContact CZ-CG2 4.24Å; C2566-I2568 PolarHBondContact O-N 3.06Å; C2566-I2568 WeakPolarHBondContact SG-CG2 3.21Å; C2566-I2568 PolarHBondContact SG-N 3.03Å; C2566-I2568 VanDerWaalsContact SG-N 3.44Å; I2568-A2570 PolarHBondContact O-N 3.19Å; I2568-A2570 VanDerWaalsContact O-N 3.13Å; I2568-L2571 HydrophobicContact CD1-CB 4.24Å; I2568-L2571 HydrophobicContact CD1-CD1 4.28Å; I2568-L2571 WeakPolarHBondContact O-CA 3.37Å; I2568-L2571 VanDerWaalsContact O-CB 3.3Å; I2568-L2571 WeakPolarHBondContact O-CB 3.33Å; I2568-L2571 PolarHBondContact O-N 3.37Å; I2568-Y2572 HydrophobicContact CG1-CE2 4.27Å; I2568-Y2572 HydrophobicContact CG2-CD2 4.13Å; I2568-Y2572 HydrophobicContact CG2-CE2 3.74Å; I2568-Y2572 PolarHBondContact O-N 3.1Å; I2568-Y2572 VanDerWaalsContact O-N 3.13Å; I2568-H2839 HydrophobicContact CD1-CB 3.43Å; I2568-H2839 VanDerWaalsContact CD1-CD2 3.44Å; I2568-H2839 WeakPolarHBondContact CD1-CD2 3.4Å; I2568-H2839 HydrophobicContact CG1-CB 4.16Å |
| 2569 | G | 79.6 | Confident | 70.7 | Confident | 17.25 Ų | 17.25 | 34.8 Ų | 34.8 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.3 | -29.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C2566 T2567 L2571 Y2572 A2573 | C2566-G2569 PolarHBondContact O-N 2.85Å; T2567-G2569 VanDerWaalsContact C-N 3.28Å; T2567-G2569 PolarHBondContact O-N 3.4Å; G2569-L2571 VanDerWaalsContact C-N 3.32Å; G2569-L2571 PolarHBondContact O-N 3.04Å; G2569-Y2572 PolarHBondContact O-N 3.1Å; G2569-A2573 VanDerWaalsContact O-CB 3.26Å; G2569-A2573 WeakPolarHBondContact O-CB 3.39Å; G2569-A2573 PolarHBondContact O-N 3.25Å |
| 2570 | A | 84.1 | Confident | 71.3 | Confident | 15 Ų | 15 | 34 Ų | 34 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -30 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C2566 T2567 I2568 G2574 A2715 N2718 K2719 | C2566-A2570 PolarHBondContact O-N 3.29Å; T2567-A2570 WeakPolarHBondContact O-CA 3.42Å; T2567-A2570 WeakPolarHBondContact O-CB 3.3Å; T2567-A2570 PolarHBondContact O-N 3.18Å; T2567-A2570 VanDerWaalsContact O-N 3.08Å; I2568-A2570 PolarHBondContact O-N 3.19Å; I2568-A2570 VanDerWaalsContact O-N 3.13Å; A2570-G2574 PolarHBondContact O-N 3.22Å; A2570-A2715 HydrophobicContact CB-CB 4.5Å; A2570-N2718 HydrophobicContact CB-CB 3.98Å; A2570-K2719 HydrophobicContact CB-CG 3.97Å; A2570-K2719 WeakPolarHBondContact O-CA 3.21Å; A2570-K2719 WeakPolarHBondContact O-CG 3.42Å |
| 2571 | L | 87.9 | Confident | 71.7 | Confident | 12.75 Ų | 12.75 | 37.4 Ų | 37.4 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -49 | 174.1 | -174.3 | 153.4 | 0 | 0 | 0 | 110.5 | T2567 I2568 G2569 A2573 G2574 C2575 N2718 G2722 H2839 L2840 C2843 | T2567-L2571 PolarHBondContact O-N 3.13Å; I2568-L2571 HydrophobicContact CD1-CB 4.24Å; I2568-L2571 HydrophobicContact CD1-CD1 4.28Å; I2568-L2571 WeakPolarHBondContact O-CA 3.37Å; I2568-L2571 VanDerWaalsContact O-CB 3.3Å; I2568-L2571 WeakPolarHBondContact O-CB 3.33Å; I2568-L2571 PolarHBondContact O-N 3.37Å; G2569-L2571 VanDerWaalsContact C-N 3.32Å; G2569-L2571 PolarHBondContact O-N 3.04Å; L2571-A2573 PolarHBondContact O-N 3.38Å; L2571-G2574 CarbonylContact O-C 3.25Å; L2571-G2574 WeakPolarHBondContact O-CA 3.35Å; L2571-G2574 PolarHBondContact O-N 3.1Å; L2571-G2574 VanDerWaalsContact O-N 3.11Å; L2571-C2575 PolarHBondContact O-N 3.21Å; L2571-C2575 PolarHBondContact O-SG 3.23Å; L2571-N2718 VanDerWaalsContact CA-O 3.32Å; L2571-N2718 WeakPolarHBondContact CA-O 3.46Å; L2571-N2718 HydrophobicContact CB-CB 4.02Å; L2571-G2722 VanDerWaalsContact O-CA 3.25Å; L2571-G2722 WeakPolarHBondContact O-CA 3.46Å; L2571-H2839 HydrophobicContact CD1-CB 4.43Å; L2571-L2840 HydrophobicContact CD1-CB 4.25Å; L2571-C2843 HydrophobicContact CD2-CB 4.37Å; L2571-C2843 VanDerWaalsContact CD2-SG 3.57Å |
| 2572 | Y | 87.6 | Confident | 72.3 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 178.1 | -56.8 | -42.6 | 0 | 0 | 0 | 112.3 | Y2506 W2509 I2568 G2569 G2574 C2575 S2576 C2843 | Y2506-Y2572 AromaticContact CD1-CD1 3.27Å; Y2506-Y2572 HydrophobicContact CD1-CD1 3.27Å; Y2506-Y2572 AromaticContact CD1-CE1 3.82Å; Y2506-Y2572 HydrophobicContact CD1-CE1 3.82Å; Y2506-Y2572 AromaticContact CD1-CG 3.84Å; Y2506-Y2572 HydrophobicContact CD1-CG 3.9Å; Y2506-Y2572 AromaticContact CE1-CD1 3.57Å; Y2506-Y2572 HydrophobicContact CE1-CD1 3.57Å; Y2506-Y2572 VanDerWaalsContact CE1-CD1 3.45Å; Y2506-Y2572 AromaticContact CE1-CE1 3.62Å; Y2506-Y2572 HydrophobicContact CE1-CE1 3.62Å; Y2506-Y2572 VanDerWaalsContact CE1-CE1 3.41Å; Y2506-Y2572 HydrophobicContact CE1-CG 4.44Å; Y2506-Y2572 HydrophobicContact CG-CD1 4.28Å; W2509-Y2572 AromaticContact CD2-CD2 3.43Å; W2509-Y2572 HydrophobicContact CD2-CD2 3.43Å; W2509-Y2572 VanDerWaalsContact CD2-CD2 3.42Å; W2509-Y2572 AromaticContact CD2-CE2 3.97Å; W2509-Y2572 HydrophobicContact CD2-CE2 4.16Å; W2509-Y2572 HydrophobicContact CD2-CG 4.2Å; W2509-Y2572 AromaticContact CE2-CD2 3.52Å; W2509-Y2572 VanDerWaalsContact CE2-CD2 3.41Å; W2509-Y2572 AromaticContact CE2-CE2 3.86Å; W2509-Y2572 AromaticContact CE3-CD2 3.49Å; W2509-Y2572 HydrophobicContact CE3-CD2 3.49Å; W2509-Y2572 AromaticContact CE3-CE2 3.75Å; W2509-Y2572 HydrophobicContact CE3-CE2 3.93Å; W2509-Y2572 HydrophobicContact CE3-CG 4.17Å; W2509-Y2572 AromaticContact CG-CD2 3.91Å; W2509-Y2572 HydrophobicContact CG-CD2 4.11Å; W2509-Y2572 AromaticContact CH2-CD2 3.64Å; W2509-Y2572 HydrophobicContact CH2-CD2 3.74Å; W2509-Y2572 AromaticContact CH2-CE2 3.41Å; W2509-Y2572 HydrophobicContact CH2-CE2 3.41Å; W2509-Y2572 AromaticContact CZ2-CD2 3.57Å; W2509-Y2572 HydrophobicContact CZ2-CD2 3.69Å; W2509-Y2572 AromaticContact CZ2-CE2 3.53Å; W2509-Y2572 HydrophobicContact CZ2-CE2 3.65Å; W2509-Y2572 VanDerWaalsContact CZ2-CE2 3.47Å; W2509-Y2572 AromaticContact CZ3-CD2 3.63Å; W2509-Y2572 HydrophobicContact CZ3-CD2 3.63Å; W2509-Y2572 AromaticContact CZ3-CE2 3.56Å; W2509-Y2572 HydrophobicContact CZ3-CE2 3.56Å; W2509-Y2572 HydrophobicContact CZ3-CG 4.4Å; I2568-Y2572 HydrophobicContact CG1-CE2 4.27Å; I2568-Y2572 HydrophobicContact CG2-CD2 4.13Å; I2568-Y2572 HydrophobicContact CG2-CE2 3.74Å; I2568-Y2572 PolarHBondContact O-N 3.1Å; I2568-Y2572 VanDerWaalsContact O-N 3.13Å; G2569-Y2572 PolarHBondContact O-N 3.1Å; Y2572-G2574 VanDerWaalsContact C-N 3.26Å; Y2572-G2574 PolarHBondContact O-N 3.37Å; Y2572-C2575 WeakPolarHBondContact O-CB 3.34Å; Y2572-C2575 PolarHBondContact O-N 3.06Å; Y2572-C2575 VanDerWaalsContact O-N 3.1Å; Y2572-S2576 PolarHBondContact O-N 3.24Å; Y2572-S2576 PolarHBondContact O-OG 3.44Å; Y2572-C2843 VanDerWaalsContact CE1-SG 3.52Å |
| 2573 | A | 84.6 | Confident | 73.5 | Confident | 30.75 Ų | 30.75 | 35.1 Ų | 35.1 | 25% | 0.254 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.6 | -38.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G2569 L2571 S2576 Q2577 | G2569-A2573 VanDerWaalsContact O-CB 3.26Å; G2569-A2573 WeakPolarHBondContact O-CB 3.39Å; G2569-A2573 PolarHBondContact O-N 3.25Å; L2571-A2573 PolarHBondContact O-N 3.38Å; A2573-S2576 PolarHBondContact O-N 3.24Å; A2573-Q2577 VanDerWaalsContact O-CB 3.29Å; A2573-Q2577 WeakPolarHBondContact O-CB 3.33Å; A2573-Q2577 WeakPolarHBondContact O-CG 3.29Å; A2573-Q2577 PolarHBondContact O-N 3.06Å |
| 2574 | G | 86.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2570 L2571 Y2572 S2576 Q2577 A2578 K2719 G2722 L2723 | A2570-G2574 PolarHBondContact O-N 3.22Å; L2571-G2574 CarbonylContact O-C 3.25Å; L2571-G2574 WeakPolarHBondContact O-CA 3.35Å; L2571-G2574 PolarHBondContact O-N 3.1Å; L2571-G2574 VanDerWaalsContact O-N 3.11Å; Y2572-G2574 VanDerWaalsContact C-N 3.26Å; Y2572-G2574 PolarHBondContact O-N 3.37Å; G2574-S2576 VanDerWaalsContact C-N 3.34Å; G2574-S2576 PolarHBondContact O-N 3.05Å; G2574-Q2577 PolarHBondContact O-N 3.12Å; G2574-A2578 PolarHBondContact O-N 3.26Å; G2574-A2578 VanDerWaalsContact O-N 3.14Å; G2574-K2719 WeakPolarHBondContact CA-O 3.24Å; G2574-G2722 CarbonylContact C-O 3.57Å; G2574-G2722 CarbonylContact O-C 3.49Å; G2574-L2723 WeakPolarHBondContact O-CA 3.47Å; G2574-L2723 WeakPolarHBondContact O-CD2 3.4Å; G2574-L2723 PolarHBondContact O-N 3Å |
| 2575 | C | 87.3 | Confident | 75.7 | Confident | 4.25 Ų | 4.25 | 34.2 Ų | 34.2 | 3% | 0.029 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 175.7 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | Y2506 L2571 Y2572 A2578 G2722 | Y2506-C2575 HydrophobicContact CD2-CB 4.12Å; Y2506-C2575 HydrophobicContact CG-CB 4.12Å; L2571-C2575 PolarHBondContact O-N 3.21Å; L2571-C2575 PolarHBondContact O-SG 3.23Å; Y2572-C2575 WeakPolarHBondContact O-CB 3.34Å; Y2572-C2575 PolarHBondContact O-N 3.06Å; Y2572-C2575 VanDerWaalsContact O-N 3.1Å; C2575-A2578 VanDerWaalsContact O-CB 3.28Å; C2575-A2578 WeakPolarHBondContact O-CB 3.29Å; C2575-A2578 PolarHBondContact O-N 3.09Å; C2575-G2722 VanDerWaalsContact CA-O 3.25Å; C2575-G2722 WeakPolarHBondContact CA-O 3.33Å; C2575-G2722 PolarHBondContact N-O 3.15Å; C2575-G2722 PolarHBondContact SG-O 3.25Å |
| 2576 | S | 84.5 | Confident | 77.2 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 178.4 | -121.2 | 0 | 0 | 0 | 0 | 112.7 | Y2506 D2507 Y2572 A2573 G2574 A2578 H2579 | Y2506-S2576 VanDerWaalsContact C-OG 3.26Å; Y2506-S2576 PolarHBondContact O-OG 2.82Å; Y2506-S2576 VanDerWaalsContact O-OG 3.06Å; D2507-S2576 VanDerWaalsContact CA-OG 3.23Å; D2507-S2576 WeakPolarHBondContact CA-OG 3.37Å; D2507-S2576 PolarHBondContact N-OG 3.25Å; D2507-S2576 VanDerWaalsContact N-OG 3.09Å; D2507-S2576 WeakPolarHBondContact OD1-CA 3.41Å; D2507-S2576 WeakPolarHBondContact OD1-CB 3.24Å; D2507-S2576 PolarHBondContact OD1-OG 3.21Å; Y2572-S2576 PolarHBondContact O-N 3.24Å; Y2572-S2576 PolarHBondContact O-OG 3.44Å; A2573-S2576 PolarHBondContact O-N 3.24Å; G2574-S2576 VanDerWaalsContact C-N 3.34Å; G2574-S2576 PolarHBondContact O-N 3.05Å; S2576-A2578 PolarHBondContact O-N 3.16Å; S2576-A2578 VanDerWaalsContact O-N 3.11Å; S2576-H2579 PolarHBondContact O-N 3.18Å; S2576-H2579 VanDerWaalsContact O-N 3.08Å |
| 2577 | Q | 84.9 | Confident | 78.4 | Confident | 33 Ų | 33 | 35.4 Ų | 35.4 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -13.7 | -179.6 | -76 | 176.5 | -2.2 | 0 | 0 | 113.6 | A2573 G2574 H2579 E2580 F2581 T2633 R2637 K2719 L2723 | A2573-Q2577 VanDerWaalsContact O-CB 3.29Å; A2573-Q2577 WeakPolarHBondContact O-CB 3.33Å; A2573-Q2577 WeakPolarHBondContact O-CG 3.29Å; A2573-Q2577 PolarHBondContact O-N 3.06Å; G2574-Q2577 PolarHBondContact O-N 3.12Å; Q2577-H2579 PolarHBondContact O-N 3.17Å; Q2577-H2579 VanDerWaalsContact O-N 3.14Å; Q2577-E2580 PolarHBondContact O-N 3.1Å; Q2577-E2580 VanDerWaalsContact O-N 3.15Å; Q2577-F2581 HydrophobicContact CB-CE2 3.9Å; Q2577-F2581 HydrophobicContact CB-CZ 4.25Å; Q2577-F2581 HydrophobicContact CG-CE2 4.31Å; Q2577-F2581 HydrophobicContact CG-CZ 4.22Å; Q2577-T2633 VanDerWaalsContact OE1-CG2 3.26Å; Q2577-R2637 WeakPolarHBondContact O-CD 3.27Å; Q2577-R2637 PolarHBondContact O-NH1 3.19Å; Q2577-R2637 VanDerWaalsContact O-NH1 3.11Å; Q2577-K2719 VanDerWaalsContact OE1-NZ 3.15Å; Q2577-L2723 HydrophobicContact CB-CD2 4.09Å |
| 2578 | A | 80.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G2574 C2575 S2576 R2637 L2723 | G2574-A2578 PolarHBondContact O-N 3.26Å; G2574-A2578 VanDerWaalsContact O-N 3.14Å; C2575-A2578 VanDerWaalsContact O-CB 3.28Å; C2575-A2578 WeakPolarHBondContact O-CB 3.29Å; C2575-A2578 PolarHBondContact O-N 3.09Å; S2576-A2578 PolarHBondContact O-N 3.16Å; S2576-A2578 VanDerWaalsContact O-N 3.11Å; A2578-R2637 WeakPolarHBondContact O-CD 3.24Å; A2578-R2637 WeakPolarHBondContact O-CG 3.38Å; A2578-L2723 HydrophobicContact CB-CD2 4.4Å |
| 2579 | H | 69.3 | Low | 79.7 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -4.1 | 179.9 | -78.2 | -87.3 | 0 | 0 | 0 | 115.1 | S2576 Q2577 F2581 Q2730 | S2576-H2579 PolarHBondContact O-N 3.18Å; S2576-H2579 VanDerWaalsContact O-N 3.08Å; Q2577-H2579 PolarHBondContact O-N 3.17Å; Q2577-H2579 VanDerWaalsContact O-N 3.14Å; H2579-F2581 WeakPolarHBondContact O-CD2 3.34Å; H2579-F2581 WeakPolarHBondContact O-CE2 3.28Å; H2579-F2581 WeakPolarHBondContact O-CZ 3.39Å; H2579-Q2730 VanDerWaalsContact CE1-CD 3.42Å; H2579-Q2730 PolarHBondContact CE1-OE1 3.26Å |
| 2580 | E | 68.1 | Low | 80 | Confident | 28.5 Ų | 28.5 | 49.2 Ų | 49.2 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | trans | -82 | 130.9 | -174.7 | -96.8 | -175.9 | 175 | 0 | 0 | 112.4 | Y2392 F2393 S2394 Q2577 R2637 | Y2392-E2580 HydrophobicContact CD1-CG 4.15Å; Y2392-E2580 HydrophobicContact CE1-CG 4.21Å; F2393-E2580 WeakPolarHBondContact CB-OE2 3.5Å; F2393-E2580 HydrophobicContact CD2-CG 4.25Å; F2393-E2580 WeakPolarHBondContact CD2-OE1 3.49Å; F2393-E2580 WeakPolarHBondContact CE2-OE1 3.39Å; F2393-E2580 WeakPolarHBondContact CG-OE1 3.41Å; F2393-E2580 PolarHBondContact N-OE1 3.09Å; F2393-E2580 PolarHBondContact N-OE2 2.91Å; S2394-E2580 VanDerWaalsContact CB-OE1 3.32Å; S2394-E2580 WeakPolarHBondContact CB-OE1 3.42Å; S2394-E2580 PolarHBondContact OG-OE1 3.17Å; Q2577-E2580 PolarHBondContact O-N 3.1Å; Q2577-E2580 VanDerWaalsContact O-N 3.15Å; E2580-R2637 PolarHBondContact O-NE 3.32Å; E2580-R2637 PolarHBondContact O-NH1 3.1Å; E2580-R2637 PolarHBondContact O-NH2 3.33Å; E2580-R2637 VanDerWaalsContact O-NH2 3.11Å; E2580-R2637 IonicContact OE2-NH1 3.48Å | ||
| 2581 | F | 64 | Low | 80.3 | Confident | 97.75 Ų | 97.75 | 48.5 Ų | 48.5 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | trans | -124.1 | 28.3 | 179.1 | -63.7 | -77.8 | 0 | 0 | 0 | 114 | Y2272 H2389 Q2577 H2579 D2583 T2633 R2634 R2637 | Y2272-F2581 HydrophobicContact CD1-CB 4.33Å; Y2272-F2581 HydrophobicContact CE1-CB 4.14Å; Y2272-F2581 HydrophobicContact CE1-CD2 4.18Å; Y2272-F2581 HydrophobicContact CE1-CG 4.32Å; H2389-F2581 HydrophobicContact CB-CE2 4.45Å; Q2577-F2581 HydrophobicContact CB-CE2 3.9Å; Q2577-F2581 HydrophobicContact CB-CZ 4.25Å; Q2577-F2581 HydrophobicContact CG-CE2 4.31Å; Q2577-F2581 HydrophobicContact CG-CZ 4.22Å; H2579-F2581 WeakPolarHBondContact O-CD2 3.34Å; H2579-F2581 WeakPolarHBondContact O-CE2 3.28Å; H2579-F2581 WeakPolarHBondContact O-CZ 3.39Å; F2581-D2583 VanDerWaalsContact C-N 3.28Å; F2581-D2583 WeakPolarHBondContact CB-OD1 3.41Å; F2581-D2583 PolarHBondContact O-N 3.14Å; F2581-D2583 VanDerWaalsContact O-N 3.11Å; F2581-T2633 HydrophobicContact CZ-CG2 4.34Å; F2581-R2634 HydrophobicContact CD1-CG 3.29Å; F2581-R2634 HydrophobicContact CD2-CG 4.19Å; F2581-R2634 HydrophobicContact CE1-CG 3.25Å; F2581-R2634 HydrophobicContact CE2-CG 4.14Å; F2581-R2634 HydrophobicContact CG-CG 3.75Å; F2581-R2634 HydrophobicContact CZ-CG 3.68Å; F2581-R2637 VanDerWaalsContact CD2-CD 3.46Å | ||
| 2582 | D | 67.9 | Low | 80.5 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | trans | -82.8 | 64 | 176.7 | -169.5 | 29.8 | 0 | 0 | 0 | 111.6 | A2273 Y2392 R2634 | A2273-D2582 HydrophobicContact CB-CB 4.31Å; A2273-D2582 VanDerWaalsContact CB-OD1 3.23Å; A2273-D2582 WeakPolarHBondContact CB-OD1 3.37Å; Y2392-D2582 HydrophobicContact CD1-CB 4.32Å; Y2392-D2582 HydrophobicContact CE1-CB 3.63Å; Y2392-D2582 VanDerWaalsContact OH-CB 3.31Å; Y2392-D2582 WeakPolarHBondContact OH-CB 3.43Å; Y2392-D2582 PolarHBondContact OH-OD1 3.22Å; D2582-R2634 PolarHBondContact O-NH1 3.24Å; D2582-R2634 IonicContact OD2-CZ 3.45Å; D2582-R2634 IonicContact OD2-NH1 3.26Å; D2582-R2634 PolarHBondContact OD2-NH1 3.28Å; D2582-R2634 VanDerWaalsContact OD2-NH1 3.07Å; D2582-R2634 IonicContact OD2-NH2 3.53Å; D2582-R2634 PolarHBondContact OD2-NH2 3.22Å | ||
| 2583 | D | 76.4 | Confident | 80.7 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | trans | -88 | 134.8 | 178.3 | -68 | -45.5 | 0 | 0 | 0 | 111 | F2581 L2587 R2637 L2638 | F2581-D2583 VanDerWaalsContact C-N 3.28Å; F2581-D2583 WeakPolarHBondContact CB-OD1 3.41Å; F2581-D2583 PolarHBondContact O-N 3.14Å; F2581-D2583 VanDerWaalsContact O-N 3.11Å; D2583-L2587 HydrophobicContact CB-CD2 4.46Å; D2583-R2637 IonicContact OD1-CZ 3.55Å; D2583-R2637 IonicContact OD1-NH2 3Å; D2583-R2637 PolarHBondContact OD1-NH2 3.45Å; D2583-R2637 IonicContact OD2-CZ 2.78Å; D2583-R2637 IonicContact OD2-NH2 3.68Å; D2583-R2637 PolarHBondContact OD2-NH2 2.97Å; D2583-L2638 HydrophobicContact CB-CD1 4.38Å; D2583-L2638 WeakPolarHBondContact OD2-CD2 3.38Å | ||
| 2584 | P | 73 | Confident | 81 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | trans | -53.7 | 139.8 | 169.3 | -21.7 | 30.3 | 0 | 0 | 0 | 110.3 | N2586 L2587 | P2584-N2586 PolarHBondContact O-N 3.01Å; P2584-L2587 HydrophobicContact CB-CB 4.15Å; P2584-L2587 HydrophobicContact CG-CB 4.19Å; P2584-L2587 HydrophobicContact CG-CD2 4.35Å; P2584-L2587 VanDerWaalsContact O-CB 3.28Å; P2584-L2587 WeakPolarHBondContact O-CB 3.34Å; P2584-L2587 PolarHBondContact O-N 3.12Å | ||
| 2585 | P | 69.3 | Low | 81.3 | Confident | 115.5 Ų | 115.5 | 54.5 Ų | 54.5 | 75% | 0.75 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.7 | -173 | 21.4 | -33.1 | 0 | 0 | 0 | 112.6 | L2587 | P2585-L2587 VanDerWaalsContact C-N 3.28Å; P2585-L2587 PolarHBondContact O-N 3.31Å |
| 2586 | N | 79.7 | Confident | 81.5 | Confident | 94.25 Ų | 94.25 | 59.7 Ų | 59.7 | 50% | 0.504 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3.7 | -178.7 | -53.1 | -29.9 | 0 | 0 | 0 | 114 | P2584 Q2588 E2589 K2590 | P2584-N2586 PolarHBondContact O-N 3.01Å; N2586-Q2588 VanDerWaalsContact C-N 3.35Å; N2586-Q2588 PolarHBondContact O-N 3.4Å; N2586-E2589 PolarHBondContact O-N 2.7Å; N2586-K2590 WeakPolarHBondContact O-CB 3.39Å; N2586-K2590 WeakPolarHBondContact O-CD 3.38Å; N2586-K2590 VanDerWaalsContact O-CG 3.26Å; N2586-K2590 WeakPolarHBondContact O-CG 3.37Å; N2586-K2590 PolarHBondContact O-N 3.17Å |
| 2587 | L | 83.5 | Confident | 81.8 | Confident | 24.5 Ų | 24.5 | 61.9 Ų | 61.9 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.3 | -43.9 | -176.4 | -177.3 | 62.4 | 0 | 0 | 0 | 111 | D2583 P2584 P2585 E2589 K2590 V2591 I2623 R2634 L2638 | D2583-L2587 HydrophobicContact CB-CD2 4.46Å; P2584-L2587 HydrophobicContact CB-CB 4.15Å; P2584-L2587 HydrophobicContact CG-CB 4.19Å; P2584-L2587 HydrophobicContact CG-CD2 4.35Å; P2584-L2587 VanDerWaalsContact O-CB 3.28Å; P2584-L2587 WeakPolarHBondContact O-CB 3.34Å; P2584-L2587 PolarHBondContact O-N 3.12Å; P2585-L2587 VanDerWaalsContact C-N 3.28Å; P2585-L2587 PolarHBondContact O-N 3.31Å; L2587-E2589 PolarHBondContact O-N 3.48Å; L2587-K2590 PolarHBondContact O-N 2.92Å; L2587-V2591 HydrophobicContact CD1-CG2 4.12Å; L2587-V2591 HydrophobicContact CG-CG2 4.14Å; L2587-V2591 WeakPolarHBondContact O-CB 3.26Å; L2587-V2591 VanDerWaalsContact O-CG2 3.22Å; L2587-V2591 WeakPolarHBondContact O-CG2 3.37Å; L2587-V2591 PolarHBondContact O-N 3.42Å; L2587-I2623 HydrophobicContact CD1-CG2 4.41Å; L2587-R2634 HydrophobicContact CD2-CB 4.41Å; L2587-L2638 HydrophobicContact CB-CD1 4.37Å; L2587-L2638 HydrophobicContact CD2-CD1 3.75Å; L2587-L2638 HydrophobicContact CG-CD1 3.72Å |
| 2588 | Q | 86.2 | Confident | 82.2 | Confident | 108.5 Ų | 108.5 | 60.3 Ų | 60.3 | 51% | 0.507 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.1 | -52.7 | 178.9 | -176.6 | 178.2 | -11.8 | 0 | 0 | 111.4 | N2586 K2590 V2591 E2592 | N2586-Q2588 VanDerWaalsContact C-N 3.35Å; N2586-Q2588 PolarHBondContact O-N 3.4Å; Q2588-K2590 VanDerWaalsContact C-N 3.28Å; Q2588-K2590 PolarHBondContact O-N 3.34Å; Q2588-V2591 PolarHBondContact O-N 3.28Å; Q2588-V2591 VanDerWaalsContact O-N 3.12Å; Q2588-E2592 PolarHBondContact NE2-OE1 3.14Å; Q2588-E2592 WeakPolarHBondContact O-CG 3.41Å; Q2588-E2592 PolarHBondContact O-N 2.87Å |
| 2589 | E | 88 | Confident | 82.7 | Confident | 130.75 Ų | 130.75 | 60.7 Ų | 60.7 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.3 | -40.4 | 178.5 | -64.2 | -177 | 173.4 | 0 | 0 | 112.3 | N2586 L2587 E2592 L2593 | N2586-E2589 PolarHBondContact O-N 2.7Å; L2587-E2589 PolarHBondContact O-N 3.48Å; E2589-E2592 PolarHBondContact O-N 3.13Å; E2589-L2593 WeakPolarHBondContact O-CB 3.34Å; E2589-L2593 PolarHBondContact O-N 3.21Å |
| 2590 | K | 87.1 | Confident | 83.7 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 175.3 | -73.9 | 174.2 | -177.1 | -175.6 | 0 | 111.9 | N2586 L2587 Q2588 E2592 L2593 I2594 I2623 | N2586-K2590 WeakPolarHBondContact O-CB 3.39Å; N2586-K2590 WeakPolarHBondContact O-CD 3.38Å; N2586-K2590 VanDerWaalsContact O-CG 3.26Å; N2586-K2590 WeakPolarHBondContact O-CG 3.37Å; N2586-K2590 PolarHBondContact O-N 3.17Å; L2587-K2590 PolarHBondContact O-N 2.92Å; Q2588-K2590 VanDerWaalsContact C-N 3.28Å; Q2588-K2590 PolarHBondContact O-N 3.34Å; K2590-E2592 VanDerWaalsContact C-N 3.34Å; K2590-E2592 PolarHBondContact O-N 3.38Å; K2590-L2593 PolarHBondContact O-N 3.15Å; K2590-I2594 VanDerWaalsContact O-CD1 3.27Å; K2590-I2594 WeakPolarHBondContact O-CD1 3.36Å; K2590-I2594 VanDerWaalsContact O-CG1 3.23Å; K2590-I2594 WeakPolarHBondContact O-CG1 3.34Å; K2590-I2594 PolarHBondContact O-N 3.12Å; K2590-I2623 HydrophobicContact CD-CG2 4.34Å |
| 2591 | V | 90.4 | Very high | 84.8 | Confident | 1.5 Ų | 1.5 | 65.3 Ų | 65.3 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 177 | 174.3 | 0 | 0 | 0 | 0 | 110 | L2587 Q2588 L2593 I2594 M2595 F2635 L2638 A2639 | L2587-V2591 HydrophobicContact CD1-CG2 4.12Å; L2587-V2591 HydrophobicContact CG-CG2 4.14Å; L2587-V2591 WeakPolarHBondContact O-CB 3.26Å; L2587-V2591 VanDerWaalsContact O-CG2 3.22Å; L2587-V2591 WeakPolarHBondContact O-CG2 3.37Å; L2587-V2591 PolarHBondContact O-N 3.42Å; Q2588-V2591 PolarHBondContact O-N 3.28Å; Q2588-V2591 VanDerWaalsContact O-N 3.12Å; V2591-L2593 VanDerWaalsContact C-N 3.34Å; V2591-L2593 PolarHBondContact O-N 2.97Å; V2591-I2594 PolarHBondContact O-N 3.33Å; V2591-M2595 HydrophobicContact CG1-CG 4.24Å; V2591-M2595 WeakPolarHBondContact O-CB 3.34Å; V2591-M2595 VanDerWaalsContact O-CG 3.31Å; V2591-M2595 WeakPolarHBondContact O-CG 3.37Å; V2591-M2595 PolarHBondContact O-N 3Å; V2591-F2635 HydrophobicContact CB-CD2 4.38Å; V2591-F2635 HydrophobicContact CB-CE2 4.28Å; V2591-F2635 HydrophobicContact CG1-CD2 4.27Å; V2591-F2635 HydrophobicContact CG1-CE2 4.02Å; V2591-F2635 HydrophobicContact CG2-CD2 3.55Å; V2591-F2635 HydrophobicContact CG2-CE2 3.92Å; V2591-L2638 HydrophobicContact CB-CB 4.26Å; V2591-L2638 HydrophobicContact CG1-CB 3.95Å; V2591-L2638 HydrophobicContact CG2-CB 4.05Å; V2591-L2638 HydrophobicContact CG2-CD1 3.99Å; V2591-A2639 HydrophobicContact CG1-CB 3.99Å |
| 2592 | E | 92 | Very high | 86 | Confident | 54.25 Ų | 54.25 | 62.2 Ų | 62.2 | 25% | 0.254 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 177.6 | -67.9 | -165.4 | -158.5 | 0 | 0 | 112.2 | Q2588 E2589 K2590 M2595 R2596 F2642 | Q2588-E2592 PolarHBondContact NE2-OE1 3.14Å; Q2588-E2592 WeakPolarHBondContact O-CG 3.41Å; Q2588-E2592 PolarHBondContact O-N 2.87Å; E2589-E2592 PolarHBondContact O-N 3.13Å; K2590-E2592 VanDerWaalsContact C-N 3.34Å; K2590-E2592 PolarHBondContact O-N 3.38Å; E2592-M2595 PolarHBondContact O-N 3.06Å; E2592-R2596 WeakPolarHBondContact O-CB 3.39Å; E2592-R2596 WeakPolarHBondContact O-CD 3.49Å; E2592-R2596 VanDerWaalsContact O-CG 3.23Å; E2592-R2596 WeakPolarHBondContact O-CG 3.37Å; E2592-R2596 PolarHBondContact O-N 3.04Å; E2592-R2596 IonicContact OE2-NH2 3.3Å; E2592-R2596 PolarHBondContact OE2-NH2 3.44Å; E2592-F2642 HydrophobicContact CB-CD2 4.3Å; E2592-F2642 HydrophobicContact CB-CE2 3.99Å; E2592-F2642 HydrophobicContact CB-CZ 4.35Å; E2592-F2642 HydrophobicContact CG-CD2 3.52Å; E2592-F2642 VanDerWaalsContact CG-CD2 3.48Å; E2592-F2642 HydrophobicContact CG-CE2 3.64Å; E2592-F2642 HydrophobicContact CG-CG 4.2Å; E2592-F2642 HydrophobicContact CG-CZ 4.42Å; E2592-F2642 WeakPolarHBondContact OE2-CE2 3.32Å |
| 2593 | L | 91.4 | Very high | 87.1 | Confident | 118.25 Ų | 118.25 | 66.1 Ų | 66.1 | 62% | 0.619 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 177.9 | -177.8 | 65.1 | 0 | 0 | 0 | 111.7 | E2589 K2590 V2591 R2596 N2597 | E2589-L2593 WeakPolarHBondContact O-CB 3.34Å; E2589-L2593 PolarHBondContact O-N 3.21Å; K2590-L2593 PolarHBondContact O-N 3.15Å; V2591-L2593 VanDerWaalsContact C-N 3.34Å; V2591-L2593 PolarHBondContact O-N 2.97Å; L2593-R2596 PolarHBondContact O-N 2.83Å; L2593-N2597 WeakPolarHBondContact O-CB 3.33Å; L2593-N2597 PolarHBondContact O-N 3.05Å |
| 2594 | I | 90.4 | Very high | 87.6 | Confident | 4.75 Ų | 4.75 | 65.9 Ų | 65.9 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 177.2 | -65.8 | 160.6 | 0 | 0 | 0 | 110.4 | K2590 V2591 R2596 N2597 W2598 L2616 L2620 I2623 F2635 | K2590-I2594 VanDerWaalsContact O-CD1 3.27Å; K2590-I2594 WeakPolarHBondContact O-CD1 3.36Å; K2590-I2594 VanDerWaalsContact O-CG1 3.23Å; K2590-I2594 WeakPolarHBondContact O-CG1 3.34Å; K2590-I2594 PolarHBondContact O-N 3.12Å; V2591-I2594 PolarHBondContact O-N 3.33Å; I2594-R2596 VanDerWaalsContact C-N 3.34Å; I2594-R2596 PolarHBondContact O-N 3.07Å; I2594-N2597 PolarHBondContact O-N 3.21Å; I2594-W2598 VanDerWaalsContact O-CB 3.27Å; I2594-W2598 WeakPolarHBondContact O-CB 3.38Å; I2594-W2598 PolarHBondContact O-N 3.22Å; I2594-L2616 HydrophobicContact CG2-CD1 4.47Å; I2594-L2620 HydrophobicContact CD1-CD2 4.06Å; I2594-L2620 HydrophobicContact CG2-CD2 4.16Å; I2594-I2623 HydrophobicContact CD1-CD1 3.24Å; I2594-I2623 HydrophobicContact CG1-CD1 3.99Å; I2594-F2635 HydrophobicContact CD1-CE2 4.01Å; I2594-F2635 HydrophobicContact CG2-CE2 4.45Å; I2594-F2635 HydrophobicContact CG2-CZ 4.26Å |
| 2595 | M | 92.8 | Very high | 88.1 | Confident | 0.75 Ų | 0.75 | 68.8 Ų | 68.8 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 179.7 | -74.7 | -53.9 | -57.6 | 0 | 0 | 111.7 | V2591 E2592 W2598 V2599 A2639 F2642 V2643 Y2690 L2693 | V2591-M2595 HydrophobicContact CG1-CG 4.24Å; V2591-M2595 WeakPolarHBondContact O-CB 3.34Å; V2591-M2595 VanDerWaalsContact O-CG 3.31Å; V2591-M2595 WeakPolarHBondContact O-CG 3.37Å; V2591-M2595 PolarHBondContact O-N 3Å; E2592-M2595 PolarHBondContact O-N 3.06Å; M2595-W2598 PolarHBondContact O-N 3.1Å; M2595-V2599 WeakPolarHBondContact O-CB 3.44Å; M2595-V2599 VanDerWaalsContact O-CG2 3.24Å; M2595-V2599 WeakPolarHBondContact O-CG2 3.34Å; M2595-V2599 PolarHBondContact O-N 3.21Å; M2595-A2639 HydrophobicContact CG-CB 4.08Å; M2595-A2639 HydrophobicContact SD-CB 3.93Å; M2595-F2642 HydrophobicContact CB-CD1 3.8Å; M2595-F2642 HydrophobicContact CB-CE1 3.69Å; M2595-F2642 HydrophobicContact CG-CD1 4.17Å; M2595-V2643 HydrophobicContact CE-CG1 3.7Å; M2595-V2643 HydrophobicContact CE-CG2 3.6Å; M2595-Y2690 HydrophobicContact CE-CD2 3.84Å; M2595-Y2690 HydrophobicContact CE-CG 4.32Å; M2595-Y2690 HydrophobicContact SD-CD2 4.33Å; M2595-L2693 HydrophobicContact CE-CD2 4.4Å; M2595-L2693 HydrophobicContact SD-CD2 3.53Å; M2595-L2693 VanDerWaalsContact SD-CD2 3.54Å; M2595-L2693 WeakPolarHBondContact SD-CD2 3.39Å |
| 2596 | R | 92.1 | Very high | 88.8 | Confident | 112.75 Ų | 112.75 | 69.6 Ų | 69.6 | 43% | 0.425 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 175.1 | -71.1 | 169.7 | -166.5 | -78.9 | -0.1 | 111.9 | E2592 L2593 I2594 W2598 V2599 E2600 F2642 R2646 | E2592-R2596 WeakPolarHBondContact O-CB 3.39Å; E2592-R2596 WeakPolarHBondContact O-CD 3.49Å; E2592-R2596 VanDerWaalsContact O-CG 3.23Å; E2592-R2596 WeakPolarHBondContact O-CG 3.37Å; E2592-R2596 PolarHBondContact O-N 3.04Å; E2592-R2596 IonicContact OE2-NH2 3.3Å; E2592-R2596 PolarHBondContact OE2-NH2 3.44Å; L2593-R2596 PolarHBondContact O-N 2.83Å; I2594-R2596 VanDerWaalsContact C-N 3.34Å; I2594-R2596 PolarHBondContact O-N 3.07Å; R2596-W2598 VanDerWaalsContact C-N 3.31Å; R2596-W2598 PolarHBondContact O-N 3.38Å; R2596-V2599 PolarHBondContact O-N 3.07Å; R2596-E2600 PolarHBondContact O-N 3.27Å; R2596-E2600 VanDerWaalsContact O-N 3.14Å; R2596-F2642 HydrophobicContact CG-CZ 4.12Å; R2596-R2646 VanDerWaalsContact CZ-NH1 3.32Å; R2596-R2646 VanDerWaalsContact NH1-NH1 3.1Å |
| 2597 | N | 90.2 | Very high | 88.9 | Confident | 60 Ų | 60 | 67 Ų | 67 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.4 | -175.3 | 20.7 | 0 | 0 | 0 | 111.2 | L2593 I2594 V2599 E2600 I2601 | L2593-N2597 WeakPolarHBondContact O-CB 3.33Å; L2593-N2597 PolarHBondContact O-N 3.05Å; I2594-N2597 PolarHBondContact O-N 3.21Å; N2597-V2599 PolarHBondContact O-N 3.22Å; N2597-E2600 WeakPolarHBondContact O-CB 3.38Å; N2597-E2600 PolarHBondContact O-N 3.1Å; N2597-E2600 VanDerWaalsContact O-N 3.12Å; N2597-I2601 VanDerWaalsContact O-CG1 3.32Å; N2597-I2601 WeakPolarHBondContact O-CG1 3.36Å; N2597-I2601 PolarHBondContact O-N 3.37Å; N2597-I2601 WeakPolarHBondContact OD1-CD1 3.49Å |
| 2598 | W | 93.7 | Very high | 88.8 | Confident | 0.25 Ų | 0.25 | 74.3 Ų | 74.3 | 0% | 0.001 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 178.6 | 176.9 | -117.2 | 0 | 0 | 0 | 112.6 | I2594 M2595 R2596 E2600 I2601 Y2602 L2616 A2689 R2692 I2696 | I2594-W2598 VanDerWaalsContact O-CB 3.27Å; I2594-W2598 WeakPolarHBondContact O-CB 3.38Å; I2594-W2598 PolarHBondContact O-N 3.22Å; M2595-W2598 PolarHBondContact O-N 3.1Å; R2596-W2598 VanDerWaalsContact C-N 3.31Å; R2596-W2598 PolarHBondContact O-N 3.38Å; W2598-E2600 VanDerWaalsContact C-N 3.28Å; W2598-E2600 PolarHBondContact O-N 3.08Å; W2598-I2601 HydrophobicContact CE3-CB 4.09Å; W2598-I2601 HydrophobicContact CE3-CD1 4.45Å; W2598-I2601 HydrophobicContact CE3-CG2 4Å; W2598-I2601 HydrophobicContact CZ3-CB 4.4Å; W2598-I2601 HydrophobicContact CZ3-CG2 3.79Å; W2598-I2601 PolarHBondContact O-N 3.17Å; W2598-Y2602 HydrophobicContact CZ2-CD2 4.43Å; W2598-Y2602 VanDerWaalsContact O-CB 3.28Å; W2598-Y2602 WeakPolarHBondContact O-CB 3.36Å; W2598-Y2602 PolarHBondContact O-N 2.97Å; W2598-L2616 HydrophobicContact CB-CD1 4.35Å; W2598-L2616 HydrophobicContact CD2-CD1 3.74Å; W2598-L2616 HydrophobicContact CD2-CD2 4.06Å; W2598-L2616 HydrophobicContact CE3-CD1 3.86Å; W2598-L2616 HydrophobicContact CE3-CD2 3.52Å; W2598-L2616 HydrophobicContact CE3-CG 4.41Å; W2598-L2616 HydrophobicContact CG-CD1 4.23Å; W2598-L2616 HydrophobicContact CH2-CD2 4.14Å; W2598-L2616 HydrophobicContact CZ3-CD1 3.72Å; W2598-L2616 HydrophobicContact CZ3-CD2 3.58Å; W2598-A2689 PolarHBondContact NE1-O 3.43Å; W2598-R2692 HydrophobicContact CZ2-CB 4.49Å; W2598-R2692 HydrophobicContact CZ2-CG 4.24Å; W2598-I2696 HydrophobicContact CH2-CD1 3.76Å; W2598-I2696 HydrophobicContact CZ2-CD1 3.87Å |
| 2599 | V | 91.9 | Very high | 88.8 | Confident | 13.5 Ų | 13.5 | 72.2 Ų | 72.2 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | M2595 R2596 N2597 Y2602 Q2603 V2685 E2686 A2689 | M2595-V2599 WeakPolarHBondContact O-CB 3.44Å; M2595-V2599 VanDerWaalsContact O-CG2 3.24Å; M2595-V2599 WeakPolarHBondContact O-CG2 3.34Å; M2595-V2599 PolarHBondContact O-N 3.21Å; R2596-V2599 PolarHBondContact O-N 3.07Å; N2597-V2599 PolarHBondContact O-N 3.22Å; V2599-Y2602 PolarHBondContact O-N 3.2Å; V2599-Q2603 WeakPolarHBondContact O-CG 3.24Å; V2599-Q2603 PolarHBondContact O-N 3.13Å; V2599-Q2603 PolarHBondContact O-NE2 3.03Å; V2599-V2685 HydrophobicContact CG1-CG1 4.31Å; V2599-E2686 HydrophobicContact CG1-CG 4.12Å; V2599-E2686 HydrophobicContact CG2-CB 4.44Å; V2599-E2686 HydrophobicContact CG2-CG 4.28Å; V2599-E2686 WeakPolarHBondContact CG2-OE2 3.3Å; V2599-A2689 HydrophobicContact CG2-CB 3.91Å |
| 2600 | E | 90.4 | Very high | 88.7 | Confident | 139.25 Ų | 139.25 | 70.1 Ų | 70.1 | 65% | 0.651 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | 174.2 | -153.1 | 175.2 | -177.6 | 0 | 0 | 111.6 | R2596 N2597 W2598 Y2602 Q2603 S2604 | R2596-E2600 PolarHBondContact O-N 3.27Å; R2596-E2600 VanDerWaalsContact O-N 3.14Å; N2597-E2600 WeakPolarHBondContact O-CB 3.38Å; N2597-E2600 PolarHBondContact O-N 3.1Å; N2597-E2600 VanDerWaalsContact O-N 3.12Å; W2598-E2600 VanDerWaalsContact C-N 3.28Å; W2598-E2600 PolarHBondContact O-N 3.08Å; E2600-Y2602 VanDerWaalsContact C-N 3.33Å; E2600-Y2602 PolarHBondContact O-N 3.29Å; E2600-Q2603 PolarHBondContact O-N 3.07Å; E2600-S2604 PolarHBondContact O-N 3.16Å |
| 2601 | I | 89.5 | Confident | 88.8 | Confident | 36.6667 Ų | 36.6667 | 68.2 Ų | 68.2 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175 | -67.1 | 167.6 | 0 | 0 | 0 | 111.2 | N2597 W2598 Q2603 S2604 T2612 | N2597-I2601 VanDerWaalsContact O-CG1 3.32Å; N2597-I2601 WeakPolarHBondContact O-CG1 3.36Å; N2597-I2601 PolarHBondContact O-N 3.37Å; N2597-I2601 WeakPolarHBondContact OD1-CD1 3.49Å; W2598-I2601 HydrophobicContact CE3-CB 4.09Å; W2598-I2601 HydrophobicContact CE3-CD1 4.45Å; W2598-I2601 HydrophobicContact CE3-CG2 4Å; W2598-I2601 HydrophobicContact CZ3-CB 4.4Å; W2598-I2601 HydrophobicContact CZ3-CG2 3.79Å; W2598-I2601 PolarHBondContact O-N 3.17Å; I2601-Q2603 VanDerWaalsContact C-N 3.31Å; I2601-Q2603 PolarHBondContact O-N 3.04Å; I2601-S2604 WeakPolarHBondContact O-CA 3.28Å; I2601-S2604 VanDerWaalsContact O-CB 3.26Å; I2601-S2604 WeakPolarHBondContact O-CB 3.24Å; I2601-S2604 PolarHBondContact O-N 3.22Å; I2601-S2604 PolarHBondContact O-OG 3.12Å; I2601-T2612 HydrophobicContact CG2-CG2 3.45Å; I2601-T2612 VanDerWaalsContact CG2-CG2 3.44Å |
| 2602 | Y | 90.6 | Very high | 88.7 | Confident | 32.3333 Ų | 32.3333 | 69.4 Ų | 69.4 | 13% | 0.127 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -37.2 | -179.5 | -178.1 | -97.3 | 0 | 0 | 0 | 112.4 | W2598 V2599 E2600 S2604 Q2607 V2685 D2688 A2689 R2692 | W2598-Y2602 HydrophobicContact CZ2-CD2 4.43Å; W2598-Y2602 VanDerWaalsContact O-CB 3.28Å; W2598-Y2602 WeakPolarHBondContact O-CB 3.36Å; W2598-Y2602 PolarHBondContact O-N 2.97Å; V2599-Y2602 PolarHBondContact O-N 3.2Å; E2600-Y2602 VanDerWaalsContact C-N 3.33Å; E2600-Y2602 PolarHBondContact O-N 3.29Å; Y2602-S2604 PolarHBondContact O-N 2.93Å; Y2602-Q2607 HydrophobicContact CD2-CB 4.47Å; Y2602-Q2607 VanDerWaalsContact CD2-OE1 3.3Å; Y2602-Q2607 VanDerWaalsContact O-CD 3.23Å; Y2602-Q2607 PolarHBondContact O-NE2 3.25Å; Y2602-V2685 HydrophobicContact CD1-CG1 4.24Å; Y2602-V2685 HydrophobicContact CE1-CG1 4.49Å; Y2602-D2688 HydrophobicContact CE1-CB 4.09Å; Y2602-D2688 WeakPolarHBondContact OH-CB 3.43Å; Y2602-A2689 HydrophobicContact CD1-CB 3.74Å; Y2602-A2689 HydrophobicContact CD2-CB 3.97Å; Y2602-A2689 HydrophobicContact CE1-CB 4.35Å; Y2602-A2689 HydrophobicContact CE2-CB 4.4Å; Y2602-A2689 HydrophobicContact CG-CB 3.54Å; Y2602-R2692 HydrophobicContact CD2-CB 4.34Å; Y2602-R2692 HydrophobicContact CE2-CB 4.03Å; Y2602-R2692 HydrophobicContact CE2-CG 4.34Å; Y2602-R2692 VanDerWaalsContact CE2-NE 3.28Å |
| 2603 | Q | 90 | Very high | 88.5 | Confident | 132.667 Ų | 132.667 | 68.2 Ų | 68.2 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.4 | -21.5 | 174.3 | -70 | 173.3 | 51.7 | 0 | 0 | 112.6 | V2599 E2600 I2601 V2685 | V2599-Q2603 WeakPolarHBondContact O-CG 3.24Å; V2599-Q2603 PolarHBondContact O-N 3.13Å; V2599-Q2603 PolarHBondContact O-NE2 3.03Å; E2600-Q2603 PolarHBondContact O-N 3.07Å; I2601-Q2603 VanDerWaalsContact C-N 3.31Å; I2601-Q2603 PolarHBondContact O-N 3.04Å; Q2603-V2685 HydrophobicContact CG-CG1 3.61Å |
| 2604 | S | 88 | Confident | 88.3 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -76.2 | 151.9 | 176.2 | 91.7 | 0 | 0 | 0 | 0 | 111.5 | E2600 I2601 Y2602 K2606 Q2607 | E2600-S2604 PolarHBondContact O-N 3.16Å; I2601-S2604 WeakPolarHBondContact O-CA 3.28Å; I2601-S2604 VanDerWaalsContact O-CB 3.26Å; I2601-S2604 WeakPolarHBondContact O-CB 3.24Å; I2601-S2604 PolarHBondContact O-N 3.22Å; I2601-S2604 PolarHBondContact O-OG 3.12Å; Y2602-S2604 PolarHBondContact O-N 2.93Å; S2604-K2606 PolarHBondContact O-N 3.06Å; S2604-K2606 VanDerWaalsContact O-N 3.1Å; S2604-K2606 WeakPolarHBondContact OG-CB 3.39Å; S2604-K2606 PolarHBondContact OG-N 3.12Å; S2604-K2606 VanDerWaalsContact OG-N 3.12Å; S2604-Q2607 WeakPolarHBondContact O-CG 3.26Å; S2604-Q2607 PolarHBondContact O-N 3.35Å |
| 2605 | P | 83.6 | Confident | 88.2 | Confident | 130.667 Ų | 130.667 | 69.6 Ų | 69.6 | 85% | 0.848 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -64 | -11.7 | 174.4 | 26.6 | -34.5 | 0 | 0 | 0 | 113.4 | Q2607 | P2605-Q2607 VanDerWaalsContact C-N 3.3Å; P2605-Q2607 PolarHBondContact O-N 2.98Å |
| 2606 | K | 82.7 | Confident | 88 | Confident | 131.333 Ų | 131.333 | 69.9 Ų | 69.9 | 57% | 0.571 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -82.5 | -0.4 | -180 | -59.1 | -175.4 | 178.5 | -177 | 0 | 113.8 | S2604 R2608 D2609 T2612 | S2604-K2606 PolarHBondContact O-N 3.06Å; S2604-K2606 VanDerWaalsContact O-N 3.1Å; S2604-K2606 WeakPolarHBondContact OG-CB 3.39Å; S2604-K2606 PolarHBondContact OG-N 3.12Å; S2604-K2606 VanDerWaalsContact OG-N 3.12Å; K2606-R2608 PolarHBondContact O-N 3.08Å; K2606-D2609 HydrophobicContact CB-CB 4.32Å; K2606-D2609 VanDerWaalsContact O-CB 3.25Å; K2606-D2609 WeakPolarHBondContact O-CB 3.34Å; K2606-D2609 PolarHBondContact O-N 3.12Å; K2606-T2612 WeakPolarHBondContact O-CB 3.4Å; K2606-T2612 PolarHBondContact O-OG1 3.28Å |
| 2607 | Q | 81.5 | Confident | 87.8 | Confident | 41.3333 Ų | 41.3333 | 65.1 Ų | 65.1 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -58.5 | -20.6 | -176.6 | 61.4 | 161.7 | -55.1 | 0 | 0 | 115.7 | Y2602 S2604 P2605 | Y2602-Q2607 HydrophobicContact CD2-CB 4.47Å; Y2602-Q2607 VanDerWaalsContact CD2-OE1 3.3Å; Y2602-Q2607 VanDerWaalsContact O-CD 3.23Å; Y2602-Q2607 PolarHBondContact O-NE2 3.25Å; S2604-Q2607 WeakPolarHBondContact O-CG 3.26Å; S2604-Q2607 PolarHBondContact O-N 3.35Å; P2605-Q2607 VanDerWaalsContact C-N 3.3Å; P2605-Q2607 PolarHBondContact O-N 2.98Å |
| 2608 | R | 82.1 | Confident | 87.6 | Confident | 176.333 Ų | 176.333 | 65.7 Ų | 65.7 | 67% | 0.665 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -106.7 | 0.9 | 177.4 | -69.4 | -178.5 | -180 | -177 | -1.7 | 113.2 | K2606 | K2606-R2608 PolarHBondContact O-N 3.08Š|
| 2609 | D | 86.2 | Confident | 87.3 | Confident | 65.3333 Ų | 65.3333 | 68.8 Ų | 68.8 | 35% | 0.349 | 37% | 0.371 | S | S | . | . | trans | -71 | 122 | 178.9 | -179.2 | 10.9 | 0 | 0 | 0 | 109.3 | K2606 A2611 T2612 I2613 | K2606-D2609 HydrophobicContact CB-CB 4.32Å; K2606-D2609 VanDerWaalsContact O-CB 3.25Å; K2606-D2609 WeakPolarHBondContact O-CB 3.34Å; K2606-D2609 PolarHBondContact O-N 3.12Å; D2609-A2611 PolarHBondContact O-N 3.02Å; D2609-A2611 PolarHBondContact OD1-N 3.12Å; D2609-T2612 WeakPolarHBondContact O-CB 3.4Å; D2609-T2612 PolarHBondContact O-N 3.26Å; D2609-I2613 PolarHBondContact O-N 2.95Å; D2609-I2613 VanDerWaalsContact O-N 3.15Å | ||
| 2610 | P | 86.6 | Confident | 87 | Confident | 85.3333 Ų | 85.3333 | 68.1 Ų | 68.1 | 55% | 0.554 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -54.4 | -37.5 | -179.7 | 21 | -34.1 | 0 | 0 | 0 | 112.4 | T2612 I2613 D2614 | P2610-T2612 VanDerWaalsContact C-N 3.26Å; P2610-T2612 PolarHBondContact O-N 3.12Å; P2610-I2613 PolarHBondContact O-N 2.97Å; P2610-I2613 VanDerWaalsContact O-N 3.14Å; P2610-D2614 WeakPolarHBondContact O-CB 3.5Å; P2610-D2614 VanDerWaalsContact O-CG 3.27Å; P2610-D2614 PolarHBondContact O-N 3.13Å |
| 2611 | A | 88.8 | Confident | 86.9 | Confident | 60.6667 Ų | 60.6667 | 65.2 Ų | 65.2 | 50% | 0.501 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2609 A2615 | D2609-A2611 PolarHBondContact O-N 3.02Å; D2609-A2611 PolarHBondContact OD1-N 3.12Å; A2611-A2615 WeakPolarHBondContact O-CB 3.41Å; A2611-A2615 PolarHBondContact O-N 3.15Å; A2611-A2615 VanDerWaalsContact O-N 3.1Å |
| 2612 | T | 88.6 | Confident | 86.7 | Confident | 26 Ų | 26 | 71.4 Ų | 71.4 | 16% | 0.16 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.6 | -37.8 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | I2601 K2606 D2609 P2610 L2616 | I2601-T2612 HydrophobicContact CG2-CG2 3.45Å; I2601-T2612 VanDerWaalsContact CG2-CG2 3.44Å; K2606-T2612 WeakPolarHBondContact O-CB 3.4Å; K2606-T2612 PolarHBondContact O-OG1 3.28Å; D2609-T2612 WeakPolarHBondContact O-CB 3.4Å; D2609-T2612 PolarHBondContact O-N 3.26Å; P2610-T2612 VanDerWaalsContact C-N 3.26Å; P2610-T2612 PolarHBondContact O-N 3.12Å; T2612-L2616 PolarHBondContact O-N 3.14Å; T2612-L2616 VanDerWaalsContact O-N 3.09Å |
| 2613 | I | 86.5 | Confident | 86.3 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 15% | 0.154 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 175.4 | -64.7 | 171.4 | 0 | 0 | 0 | 110.2 | D2609 P2610 A2615 L2616 L2617 I2696 | D2609-I2613 PolarHBondContact O-N 2.95Å; D2609-I2613 VanDerWaalsContact O-N 3.15Å; P2610-I2613 PolarHBondContact O-N 2.97Å; P2610-I2613 VanDerWaalsContact O-N 3.14Å; I2613-A2615 VanDerWaalsContact C-N 3.33Å; I2613-A2615 PolarHBondContact O-N 3.25Å; I2613-L2616 WeakPolarHBondContact O-CB 3.46Å; I2613-L2616 PolarHBondContact O-N 3.15Å; I2613-L2616 VanDerWaalsContact O-N 3.16Å; I2613-L2617 HydrophobicContact CG2-CD1 3.78Å; I2613-L2617 HydrophobicContact CG2-CG 4.31Å; I2613-L2617 VanDerWaalsContact O-CG 3.26Å; I2613-L2617 WeakPolarHBondContact O-CG 3.17Å; I2613-L2617 PolarHBondContact O-N 2.91Å; I2613-I2696 HydrophobicContact CD1-CD1 4.42Å; I2613-I2696 HydrophobicContact CG1-CD1 4.32Å; I2613-I2696 HydrophobicContact CG2-CG2 3.78Å |
| 2614 | D | 87.8 | Confident | 85.9 | Confident | 94.3333 Ų | 94.3333 | 67.2 Ų | 67.2 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 178.4 | -68.3 | -22.6 | 0 | 0 | 0 | 111.9 | P2610 L2617 S2618 | P2610-D2614 WeakPolarHBondContact O-CB 3.5Å; P2610-D2614 VanDerWaalsContact O-CG 3.27Å; P2610-D2614 PolarHBondContact O-N 3.13Å; D2614-L2617 PolarHBondContact O-N 3.27Å; D2614-S2618 WeakPolarHBondContact O-CB 3.44Å; D2614-S2618 PolarHBondContact O-N 3.29Å |
| 2615 | A | 88.9 | Confident | 85.5 | Confident | 57.6667 Ų | 57.6667 | 65.7 Ų | 65.7 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2611 I2613 S2618 Q2619 | A2611-A2615 WeakPolarHBondContact O-CB 3.41Å; A2611-A2615 PolarHBondContact O-N 3.15Å; A2611-A2615 VanDerWaalsContact O-N 3.1Å; I2613-A2615 VanDerWaalsContact C-N 3.33Å; I2613-A2615 PolarHBondContact O-N 3.25Å; A2615-S2618 WeakPolarHBondContact O-CB 3.25Å; A2615-S2618 PolarHBondContact O-N 3.29Å; A2615-Q2619 WeakPolarHBondContact O-CG 3.2Å; A2615-Q2619 PolarHBondContact O-N 3.13Å |
| 2616 | L | 87.9 | Confident | 85.2 | Confident | 5.66667 Ų | 5.66667 | 61.1 Ų | 61.1 | 3% | 0.03 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 175.5 | 177.2 | 93.1 | 0 | 0 | 0 | 111.6 | I2594 W2598 T2612 I2613 S2618 Q2619 L2620 L2693 | I2594-L2616 HydrophobicContact CG2-CD1 4.47Å; W2598-L2616 HydrophobicContact CB-CD1 4.35Å; W2598-L2616 HydrophobicContact CD2-CD1 3.74Å; W2598-L2616 HydrophobicContact CD2-CD2 4.06Å; W2598-L2616 HydrophobicContact CE3-CD1 3.86Å; W2598-L2616 HydrophobicContact CE3-CD2 3.52Å; W2598-L2616 HydrophobicContact CE3-CG 4.41Å; W2598-L2616 HydrophobicContact CG-CD1 4.23Å; W2598-L2616 HydrophobicContact CH2-CD2 4.14Å; W2598-L2616 HydrophobicContact CZ3-CD1 3.72Å; W2598-L2616 HydrophobicContact CZ3-CD2 3.58Å; T2612-L2616 PolarHBondContact O-N 3.14Å; T2612-L2616 VanDerWaalsContact O-N 3.09Å; I2613-L2616 WeakPolarHBondContact O-CB 3.46Å; I2613-L2616 PolarHBondContact O-N 3.15Å; I2613-L2616 VanDerWaalsContact O-N 3.16Å; L2616-S2618 VanDerWaalsContact C-N 3.33Å; L2616-S2618 PolarHBondContact O-N 3.02Å; L2616-Q2619 WeakPolarHBondContact O-CB 3.38Å; L2616-Q2619 PolarHBondContact O-N 3.11Å; L2616-L2620 HydrophobicContact CD2-CD1 3.62Å; L2616-L2620 HydrophobicContact CD2-CG 4.46Å; L2616-L2620 HydrophobicContact CG-CD1 4.18Å; L2616-L2620 WeakPolarHBondContact O-CG 3.4Å; L2616-L2620 PolarHBondContact O-N 2.94Å; L2616-L2693 HydrophobicContact CD1-CD1 4.26Å; L2616-L2693 HydrophobicContact CD2-CD1 3.72Å |
| 2617 | L | 87.3 | Confident | 84.8 | Confident | 13.3333 Ų | 13.3333 | 59.7 Ų | 59.7 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 178 | -67.5 | 167.3 | 0 | 0 | 0 | 111.7 | I2613 D2614 Q2619 L2620 T2621 L2626 I2696 L2697 Q2700 | I2613-L2617 HydrophobicContact CG2-CD1 3.78Å; I2613-L2617 HydrophobicContact CG2-CG 4.31Å; I2613-L2617 VanDerWaalsContact O-CG 3.26Å; I2613-L2617 WeakPolarHBondContact O-CG 3.17Å; I2613-L2617 PolarHBondContact O-N 2.91Å; D2614-L2617 PolarHBondContact O-N 3.27Å; L2617-Q2619 VanDerWaalsContact C-N 3.34Å; L2617-Q2619 PolarHBondContact O-N 3.16Å; L2617-L2620 PolarHBondContact O-N 3.13Å; L2617-T2621 WeakPolarHBondContact O-CB 3.33Å; L2617-T2621 PolarHBondContact O-N 3.18Å; L2617-T2621 PolarHBondContact O-OG1 3.27Å; L2617-L2626 HydrophobicContact CB-CD1 4.37Å; L2617-L2626 HydrophobicContact CD2-CD1 4.17Å; L2617-L2626 HydrophobicContact CD2-CD2 4.27Å; L2617-L2626 VanDerWaalsContact O-CD1 3.29Å; L2617-L2626 WeakPolarHBondContact O-CD1 3.37Å; L2617-I2696 HydrophobicContact CD2-CG2 4.19Å; L2617-L2697 HydrophobicContact CD2-CD2 4.35Å; L2617-Q2700 HydrophobicContact CD1-CG 3.55Å; L2617-Q2700 VanDerWaalsContact CD1-NE2 3.25Å; L2617-Q2700 HydrophobicContact CD2-CB 4.41Å; L2617-Q2700 HydrophobicContact CD2-CG 3.9Å; L2617-Q2700 HydrophobicContact CG-CG 4.38Å |
| 2618 | S | 87 | Confident | 84.7 | Confident | 72 Ų | 72 | 61 Ų | 61 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 172 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | D2614 A2615 L2616 L2620 T2621 Q2622 | D2614-S2618 WeakPolarHBondContact O-CB 3.44Å; D2614-S2618 PolarHBondContact O-N 3.29Å; A2615-S2618 WeakPolarHBondContact O-CB 3.25Å; A2615-S2618 PolarHBondContact O-N 3.29Å; L2616-S2618 VanDerWaalsContact C-N 3.33Å; L2616-S2618 PolarHBondContact O-N 3.02Å; S2618-L2620 PolarHBondContact O-N 2.73Å; S2618-T2621 PolarHBondContact O-N 3.15Å; S2618-Q2622 WeakPolarHBondContact O-CB 3.23Å; S2618-Q2622 WeakPolarHBondContact O-CG 3.02Å; S2618-Q2622 PolarHBondContact O-N 3.42Å |
| 2619 | Q | 87.2 | Confident | 84.8 | Confident | 64.6667 Ų | 64.6667 | 54.8 Ų | 54.8 | 30% | 0.302 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.3 | -143.8 | -178.4 | 0.2 | 0 | 0 | 112 | A2615 L2616 L2617 T2621 Q2622 I2623 | A2615-Q2619 WeakPolarHBondContact O-CG 3.2Å; A2615-Q2619 PolarHBondContact O-N 3.13Å; L2616-Q2619 WeakPolarHBondContact O-CB 3.38Å; L2616-Q2619 PolarHBondContact O-N 3.11Å; L2617-Q2619 VanDerWaalsContact C-N 3.34Å; L2617-Q2619 PolarHBondContact O-N 3.16Å; Q2619-T2621 VanDerWaalsContact C-N 3.31Å; Q2619-T2621 PolarHBondContact O-N 3.24Å; Q2619-Q2622 PolarHBondContact O-N 3.32Å; Q2619-I2623 HydrophobicContact CG-CD1 4.14Å; Q2619-I2623 WeakPolarHBondContact O-CD1 3.38Å; Q2619-I2623 VanDerWaalsContact O-CG1 3.28Å; Q2619-I2623 WeakPolarHBondContact O-CG1 3.26Å; Q2619-I2623 PolarHBondContact O-N 3.17Å; Q2619-I2623 VanDerWaalsContact O-N 3.14Å |
| 2620 | L | 86.8 | Confident | 84.6 | Confident | 0.333333 Ų | 0.333333 | 54.9 Ų | 54.9 | 0% | 0.002 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 177.6 | -70.4 | 173.1 | 0 | 0 | 0 | 112.4 | I2594 L2616 L2617 S2618 I2623 G2624 V2625 L2626 F2635 L2693 L2697 | I2594-L2620 HydrophobicContact CD1-CD2 4.06Å; I2594-L2620 HydrophobicContact CG2-CD2 4.16Å; L2616-L2620 HydrophobicContact CD2-CD1 3.62Å; L2616-L2620 HydrophobicContact CD2-CG 4.46Å; L2616-L2620 HydrophobicContact CG-CD1 4.18Å; L2616-L2620 WeakPolarHBondContact O-CG 3.4Å; L2616-L2620 PolarHBondContact O-N 2.94Å; L2617-L2620 PolarHBondContact O-N 3.13Å; S2618-L2620 PolarHBondContact O-N 2.73Å; L2620-I2623 PolarHBondContact O-N 3.13Å; L2620-G2624 PolarHBondContact O-N 3.2Å; L2620-V2625 HydrophobicContact CB-CB 4.35Å; L2620-V2625 HydrophobicContact CD2-CB 4.47Å; L2620-V2625 HydrophobicContact CD2-CG2 4.19Å; L2620-V2625 WeakPolarHBondContact O-CB 3.41Å; L2620-V2625 PolarHBondContact O-N 3.02Å; L2620-L2626 HydrophobicContact CB-CD1 3.59Å; L2620-L2626 HydrophobicContact CB-CG 4.29Å; L2620-L2626 HydrophobicContact CD1-CD1 4.27Å; L2620-L2626 HydrophobicContact CG-CD1 4.43Å; L2620-F2635 HydrophobicContact CD2-CD2 4.44Å; L2620-F2635 HydrophobicContact CD2-CE1 4.14Å; L2620-F2635 HydrophobicContact CD2-CE2 3.89Å; L2620-F2635 HydrophobicContact CD2-CZ 3.7Å; L2620-L2693 HydrophobicContact CD1-CD1 4.34Å; L2620-L2697 HydrophobicContact CD1-CD2 3.94Å |
| 2621 | T | 86.8 | Confident | 84.6 | Confident | 77.6667 Ų | 77.6667 | 53.9 Ų | 53.9 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 174.9 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | L2617 S2618 Q2619 I2623 G2624 L2626 | L2617-T2621 WeakPolarHBondContact O-CB 3.33Å; L2617-T2621 PolarHBondContact O-N 3.18Å; L2617-T2621 PolarHBondContact O-OG1 3.27Å; S2618-T2621 PolarHBondContact O-N 3.15Å; Q2619-T2621 VanDerWaalsContact C-N 3.31Å; Q2619-T2621 PolarHBondContact O-N 3.24Å; T2621-I2623 PolarHBondContact O-N 2.96Å; T2621-G2624 WeakPolarHBondContact O-CA 3.33Å; T2621-G2624 PolarHBondContact O-N 3.27Å; T2621-L2626 WeakPolarHBondContact OG1-CD1 3.4Å |
| 2622 | Q | 84.9 | Confident | 84.6 | Confident | 166.667 Ų | 166.667 | 51 Ų | 51 | 78% | 0.779 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.1 | -31.6 | 176.8 | -143.1 | 179.6 | 18.1 | 0 | 0 | 112.7 | S2618 Q2619 G2624 | S2618-Q2622 WeakPolarHBondContact O-CB 3.23Å; S2618-Q2622 WeakPolarHBondContact O-CG 3.02Å; S2618-Q2622 PolarHBondContact O-N 3.42Å; Q2619-Q2622 PolarHBondContact O-N 3.32Å; Q2622-G2624 VanDerWaalsContact C-N 3.28Å |
| 2623 | I | 82.2 | Confident | 84.6 | Confident | 52.3333 Ų | 52.3333 | 49.9 Ų | 49.9 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.5 | 177.6 | -66.5 | 168.7 | 0 | 0 | 0 | 111.8 | L2587 K2590 I2594 Q2619 L2620 T2621 V2625 | L2587-I2623 HydrophobicContact CD1-CG2 4.41Å; K2590-I2623 HydrophobicContact CD-CG2 4.34Å; I2594-I2623 HydrophobicContact CD1-CD1 3.24Å; I2594-I2623 HydrophobicContact CG1-CD1 3.99Å; Q2619-I2623 HydrophobicContact CG-CD1 4.14Å; Q2619-I2623 WeakPolarHBondContact O-CD1 3.38Å; Q2619-I2623 VanDerWaalsContact O-CG1 3.28Å; Q2619-I2623 WeakPolarHBondContact O-CG1 3.26Å; Q2619-I2623 PolarHBondContact O-N 3.17Å; Q2619-I2623 VanDerWaalsContact O-N 3.14Å; L2620-I2623 PolarHBondContact O-N 3.13Å; T2621-I2623 PolarHBondContact O-N 2.96Å; I2623-V2625 HydrophobicContact CB-CG2 4.28Å; I2623-V2625 HydrophobicContact CG2-CG2 3.93Å |
| 2624 | G | 81.6 | Confident | 84.7 | Confident | 24.6667 Ų | 24.6667 | 51.9 Ų | 51.9 | 25% | 0.254 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 20.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2620 T2621 Q2622 P2627 N2631 | L2620-G2624 PolarHBondContact O-N 3.2Å; T2621-G2624 WeakPolarHBondContact O-CA 3.33Å; T2621-G2624 PolarHBondContact O-N 3.27Å; Q2622-G2624 VanDerWaalsContact C-N 3.28Å; G2624-P2627 VanDerWaalsContact C-CD 3.45Å; G2624-P2627 VanDerWaalsContact O-CD 3.31Å; G2624-P2627 WeakPolarHBondContact O-CD 3.22Å; G2624-N2631 VanDerWaalsContact O-CB 3.29Å; G2624-N2631 WeakPolarHBondContact O-CB 3.38Å; G2624-N2631 PolarHBondContact O-ND2 3.34Å |
| 2625 | V | 81.2 | Confident | 85 | Confident | 3.33333 Ų | 3.33333 | 47.4 Ų | 47.4 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | trans | -76.5 | -45.8 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | L2620 I2623 N2631 S2632 F2635 | L2620-V2625 HydrophobicContact CB-CB 4.35Å; L2620-V2625 HydrophobicContact CD2-CB 4.47Å; L2620-V2625 HydrophobicContact CD2-CG2 4.19Å; L2620-V2625 WeakPolarHBondContact O-CB 3.41Å; L2620-V2625 PolarHBondContact O-N 3.02Å; I2623-V2625 HydrophobicContact CB-CG2 4.28Å; I2623-V2625 HydrophobicContact CG2-CG2 3.93Å; V2625-N2631 CarbonylContact O-C 3.08Å; V2625-N2631 WeakPolarHBondContact O-CB 3.35Å; V2625-S2632 PolarHBondContact O-N 3.26Å; V2625-S2632 VanDerWaalsContact O-N 3.09Å; V2625-S2632 PolarHBondContact O-OG 3.35Å; V2625-F2635 HydrophobicContact CB-CB 4.43Å; V2625-F2635 HydrophobicContact CB-CG 4.47Å; V2625-F2635 HydrophobicContact CG1-CB 3.52Å; V2625-F2635 HydrophobicContact CG1-CD1 3.79Å; V2625-F2635 HydrophobicContact CG1-CD2 4.29Å; V2625-F2635 HydrophobicContact CG1-CG 3.59Å; V2625-F2635 HydrophobicContact CG2-CB 4.05Å; V2625-F2635 HydrophobicContact CG2-CD2 3.86Å; V2625-F2635 HydrophobicContact CG2-CG 3.97Å | ||
| 2626 | L | 76.6 | Confident | 85.2 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -30.2 | -172.6 | -82.5 | 126.5 | 0 | 0 | 0 | 117.7 | L2617 L2620 T2621 N2628 L2697 | L2617-L2626 HydrophobicContact CB-CD1 4.37Å; L2617-L2626 HydrophobicContact CD2-CD1 4.17Å; L2617-L2626 HydrophobicContact CD2-CD2 4.27Å; L2617-L2626 VanDerWaalsContact O-CD1 3.29Å; L2617-L2626 WeakPolarHBondContact O-CD1 3.37Å; L2620-L2626 HydrophobicContact CB-CD1 3.59Å; L2620-L2626 HydrophobicContact CB-CG 4.29Å; L2620-L2626 HydrophobicContact CD1-CD1 4.27Å; L2620-L2626 HydrophobicContact CG-CD1 4.43Å; T2621-L2626 WeakPolarHBondContact OG1-CD1 3.4Å; L2626-N2628 VanDerWaalsContact C-N 3.25Å; L2626-N2628 PolarHBondContact O-N 3.02Å; L2626-N2628 VanDerWaalsContact O-N 3.17Å; L2626-L2697 HydrophobicContact CD1-CD2 3.89Å; L2626-L2697 HydrophobicContact CD2-CD2 3.95Å; L2626-L2697 HydrophobicContact CG-CD2 4.4Å |
| 2627 | P | 73.9 | Confident | 85.5 | Confident | 101.333 Ų | 101.333 | 44.7 Ų | 44.7 | 66% | 0.658 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.5 | -170.2 | 25.3 | -33.3 | 0 | 0 | 0 | 114.4 | G2624 | G2624-P2627 VanDerWaalsContact C-CD 3.45Å; G2624-P2627 VanDerWaalsContact O-CD 3.31Å; G2624-P2627 WeakPolarHBondContact O-CD 3.22Å |
| 2628 | N | 79.4 | Confident | 85.7 | Confident | 69 Ų | 69 | 44.8 Ų | 44.8 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | trans | -137.7 | 132.8 | -178.5 | -170.2 | -29.8 | 0 | 0 | 0 | 110.3 | L2626 N2630 N2631 S2632 | L2626-N2628 VanDerWaalsContact C-N 3.25Å; L2626-N2628 PolarHBondContact O-N 3.02Å; L2626-N2628 VanDerWaalsContact O-N 3.17Å; N2628-N2630 PolarHBondContact O-N 3.13Å; N2628-N2630 VanDerWaalsContact O-N 3.12Å; N2628-N2630 WeakPolarHBondContact OD1-CB 3.4Å; N2628-N2630 PolarHBondContact OD1-N 3.06Å; N2628-N2631 HydrophobicContact CB-CB 4.32Å; N2628-N2631 PolarHBondContact O-N 2.9Å; N2628-S2632 PolarHBondContact O-N 2.95Å | ||
| 2629 | I | 84 | Confident | 86.1 | Confident | 46.3333 Ų | 46.3333 | 41.4 Ų | 41.4 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.9 | -33.7 | 174.3 | -167.5 | 167.7 | 0 | 0 | 0 | 112 | S2632 T2633 A2715 L2716 K2719 | I2629-S2632 PolarHBondContact O-N 3.49Å; I2629-T2633 WeakPolarHBondContact O-CB 3.37Å; I2629-T2633 PolarHBondContact O-N 3.08Å; I2629-T2633 PolarHBondContact O-OG1 3.12Å; I2629-A2715 HydrophobicContact CD1-CB 3.84Å; I2629-L2716 HydrophobicContact CD1-CB 4.15Å; I2629-L2716 HydrophobicContact CG1-CB 4.34Å; I2629-L2716 HydrophobicContact CG1-CD1 4.17Å; I2629-K2719 HydrophobicContact CG1-CD 4.49Å |
| 2630 | N | 83.6 | Confident | 86.5 | Confident | 66.6667 Ų | 66.6667 | 38.3 Ų | 38.3 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.4 | -39.1 | 177.3 | -66.8 | -30.6 | 0 | 0 | 0 | 112.1 | N2628 T2633 R2634 K2719 | N2628-N2630 PolarHBondContact O-N 3.13Å; N2628-N2630 VanDerWaalsContact O-N 3.12Å; N2628-N2630 WeakPolarHBondContact OD1-CB 3.4Å; N2628-N2630 PolarHBondContact OD1-N 3.06Å; N2630-T2633 PolarHBondContact O-N 2.99Å; N2630-R2634 VanDerWaalsContact O-CG 3.32Å; N2630-R2634 WeakPolarHBondContact O-CG 3.42Å; N2630-R2634 PolarHBondContact O-N 3.34Å; N2630-K2719 PolarHBondContact OD1-NZ 3.19Å; N2630-K2719 VanDerWaalsContact OD1-NZ 3.07Å |
| 2631 | N | 86.4 | Confident | 86.7 | Confident | 64.3333 Ų | 64.3333 | 40.6 Ų | 40.6 | 34% | 0.344 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68 | -41.4 | 175.2 | -67.2 | -0.6 | 0 | 0 | 0 | 110.9 | G2624 V2625 N2628 T2633 R2634 F2635 | G2624-N2631 VanDerWaalsContact O-CB 3.29Å; G2624-N2631 WeakPolarHBondContact O-CB 3.38Å; G2624-N2631 PolarHBondContact O-ND2 3.34Å; V2625-N2631 CarbonylContact O-C 3.08Å; V2625-N2631 WeakPolarHBondContact O-CB 3.35Å; N2628-N2631 HydrophobicContact CB-CB 4.32Å; N2628-N2631 PolarHBondContact O-N 2.9Å; N2631-T2633 VanDerWaalsContact C-N 3.32Å; N2631-T2633 PolarHBondContact O-N 3.14Å; N2631-R2634 PolarHBondContact O-N 3.26Å; N2631-F2635 WeakPolarHBondContact O-CB 3.35Å; N2631-F2635 PolarHBondContact O-N 3.25Å |
| 2632 | S | 88.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 172.6 | -68 | 0 | 0 | 0 | 0 | 111.7 | V2625 N2628 I2629 F2635 L2636 | V2625-S2632 PolarHBondContact O-N 3.26Å; V2625-S2632 VanDerWaalsContact O-N 3.09Å; V2625-S2632 PolarHBondContact O-OG 3.35Å; N2628-S2632 PolarHBondContact O-N 2.95Å; I2629-S2632 PolarHBondContact O-N 3.49Å; S2632-F2635 PolarHBondContact O-N 3.06Å; S2632-L2636 WeakPolarHBondContact O-CB 3.3Å; S2632-L2636 VanDerWaalsContact O-CG 3.28Å; S2632-L2636 WeakPolarHBondContact O-CG 3.37Å; S2632-L2636 PolarHBondContact O-N 3.22Å |
| 2633 | T | 89.1 | Confident | 87.6 | Confident | 1.66667 Ų | 1.66667 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.9 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | Q2577 F2581 I2629 N2630 N2631 L2636 R2637 K2719 L2723 | Q2577-T2633 VanDerWaalsContact OE1-CG2 3.26Å; F2581-T2633 HydrophobicContact CZ-CG2 4.34Å; I2629-T2633 WeakPolarHBondContact O-CB 3.37Å; I2629-T2633 PolarHBondContact O-N 3.08Å; I2629-T2633 PolarHBondContact O-OG1 3.12Å; N2630-T2633 PolarHBondContact O-N 2.99Å; N2631-T2633 VanDerWaalsContact C-N 3.32Å; N2631-T2633 PolarHBondContact O-N 3.14Å; T2633-L2636 PolarHBondContact O-N 3.13Å; T2633-R2637 WeakPolarHBondContact O-CB 3.3Å; T2633-R2637 PolarHBondContact O-N 3.27Å; T2633-K2719 HydrophobicContact CG2-CB 4.25Å; T2633-K2719 HydrophobicContact CG2-CD 3.97Å; T2633-K2719 WeakPolarHBondContact OG1-CD 3.39Å; T2633-L2723 HydrophobicContact CG2-CD1 3.84Å; T2633-L2723 HydrophobicContact CG2-CG 4.41Å; T2633-L2723 WeakPolarHBondContact O-CD1 3.32Å |
| 2634 | R | 88.8 | Confident | 88.1 | Confident | 72.6667 Ų | 72.6667 | 27.7 Ų | 27.7 | 27% | 0.274 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 176 | -73.3 | 177.4 | -176.4 | -142.8 | 0.8 | 112 | F2581 D2582 L2587 N2630 N2631 L2636 R2637 L2638 | F2581-R2634 HydrophobicContact CD1-CG 3.29Å; F2581-R2634 HydrophobicContact CD2-CG 4.19Å; F2581-R2634 HydrophobicContact CE1-CG 3.25Å; F2581-R2634 HydrophobicContact CE2-CG 4.14Å; F2581-R2634 HydrophobicContact CG-CG 3.75Å; F2581-R2634 HydrophobicContact CZ-CG 3.68Å; D2582-R2634 PolarHBondContact O-NH1 3.24Å; D2582-R2634 IonicContact OD2-CZ 3.45Å; D2582-R2634 IonicContact OD2-NH1 3.26Å; D2582-R2634 PolarHBondContact OD2-NH1 3.28Å; D2582-R2634 VanDerWaalsContact OD2-NH1 3.07Å; D2582-R2634 IonicContact OD2-NH2 3.53Å; D2582-R2634 PolarHBondContact OD2-NH2 3.22Å; L2587-R2634 HydrophobicContact CD2-CB 4.41Å; N2630-R2634 VanDerWaalsContact O-CG 3.32Å; N2630-R2634 WeakPolarHBondContact O-CG 3.42Å; N2630-R2634 PolarHBondContact O-N 3.34Å; N2631-R2634 PolarHBondContact O-N 3.26Å; R2634-L2636 VanDerWaalsContact C-N 3.34Å; R2634-L2636 PolarHBondContact O-N 2.93Å; R2634-R2637 PolarHBondContact O-N 3.17Å; R2634-L2638 PolarHBondContact O-N 3.07Å; R2634-L2638 VanDerWaalsContact O-N 3.15Å |
| 2635 | F | 92.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -48.6 | 175.3 | 171 | -98.1 | 0 | 0 | 0 | 111.6 | V2591 I2594 L2620 V2625 N2631 S2632 R2637 L2638 A2639 L2693 L2697 | V2591-F2635 HydrophobicContact CB-CD2 4.38Å; V2591-F2635 HydrophobicContact CB-CE2 4.28Å; V2591-F2635 HydrophobicContact CG1-CD2 4.27Å; V2591-F2635 HydrophobicContact CG1-CE2 4.02Å; V2591-F2635 HydrophobicContact CG2-CD2 3.55Å; V2591-F2635 HydrophobicContact CG2-CE2 3.92Å; I2594-F2635 HydrophobicContact CD1-CE2 4.01Å; I2594-F2635 HydrophobicContact CG2-CE2 4.45Å; I2594-F2635 HydrophobicContact CG2-CZ 4.26Å; L2620-F2635 HydrophobicContact CD2-CD2 4.44Å; L2620-F2635 HydrophobicContact CD2-CE1 4.14Å; L2620-F2635 HydrophobicContact CD2-CE2 3.89Å; L2620-F2635 HydrophobicContact CD2-CZ 3.7Å; V2625-F2635 HydrophobicContact CB-CB 4.43Å; V2625-F2635 HydrophobicContact CB-CG 4.47Å; V2625-F2635 HydrophobicContact CG1-CB 3.52Å; V2625-F2635 HydrophobicContact CG1-CD1 3.79Å; V2625-F2635 HydrophobicContact CG1-CD2 4.29Å; V2625-F2635 HydrophobicContact CG1-CG 3.59Å; V2625-F2635 HydrophobicContact CG2-CB 4.05Å; V2625-F2635 HydrophobicContact CG2-CD2 3.86Å; V2625-F2635 HydrophobicContact CG2-CG 3.97Å; N2631-F2635 WeakPolarHBondContact O-CB 3.35Å; N2631-F2635 PolarHBondContact O-N 3.25Å; S2632-F2635 PolarHBondContact O-N 3.06Å; F2635-R2637 VanDerWaalsContact C-N 3.33Å; F2635-R2637 PolarHBondContact O-N 3.31Å; F2635-L2638 PolarHBondContact O-N 2.91Å; F2635-A2639 WeakPolarHBondContact O-CB 3.36Å; F2635-A2639 PolarHBondContact O-N 3.13Å; F2635-L2693 HydrophobicContact CE1-CD2 4.05Å; F2635-L2693 HydrophobicContact CZ-CD2 4.16Å; F2635-L2697 HydrophobicContact CD1-CD1 4.32Å; F2635-L2697 HydrophobicContact CE1-CD1 4.12Å |
| 2636 | L | 93.8 | Very high | 89 | Confident | 0.333333 Ų | 0.333333 | 34.5 Ų | 34.5 | 0% | 0.002 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.5 | -32.6 | -178.5 | -71.7 | 174.9 | 0 | 0 | 0 | 112.8 | S2632 T2633 R2634 A2639 T2640 Y2690 V2694 L2697 L2716 V2720 L2723 | S2632-L2636 WeakPolarHBondContact O-CB 3.3Å; S2632-L2636 VanDerWaalsContact O-CG 3.28Å; S2632-L2636 WeakPolarHBondContact O-CG 3.37Å; S2632-L2636 PolarHBondContact O-N 3.22Å; T2633-L2636 PolarHBondContact O-N 3.13Å; R2634-L2636 VanDerWaalsContact C-N 3.34Å; R2634-L2636 PolarHBondContact O-N 2.93Å; L2636-A2639 PolarHBondContact O-N 3.42Å; L2636-T2640 VanDerWaalsContact O-CB 3.3Å; L2636-T2640 WeakPolarHBondContact O-CB 3.33Å; L2636-T2640 PolarHBondContact O-N 3.17Å; L2636-T2640 PolarHBondContact O-OG1 3.26Å; L2636-Y2690 HydrophobicContact CD2-CE2 3.96Å; L2636-Y2690 PolarHBondContact O-OH 3.23Å; L2636-V2694 HydrophobicContact CD2-CG2 3.9Å; L2636-L2697 HydrophobicContact CD1-CD1 4.26Å; L2636-L2697 HydrophobicContact CD2-CD1 3.79Å; L2636-L2697 HydrophobicContact CG-CD1 4.26Å; L2636-L2716 HydrophobicContact CD1-CD1 4.17Å; L2636-L2716 HydrophobicContact CD1-CD2 4.24Å; L2636-L2716 HydrophobicContact CD1-CG 4.46Å; L2636-V2720 HydrophobicContact CB-CG2 4.23Å; L2636-V2720 HydrophobicContact CD1-CG2 3.3Å; L2636-V2720 HydrophobicContact CG-CG2 4.34Å; L2636-L2723 HydrophobicContact CB-CD1 4.41Å |
| 2637 | R | 93.5 | Very high | 89.8 | Confident | 5.33333 Ų | 5.33333 | 32.9 Ų | 32.9 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -53.9 | 171.4 | 179.4 | -174.5 | 71.3 | 175 | 2.1 | 111.2 | Q2577 A2578 E2580 F2581 D2583 T2633 R2634 F2635 A2639 T2640 I2641 L2723 | Q2577-R2637 WeakPolarHBondContact O-CD 3.27Å; Q2577-R2637 PolarHBondContact O-NH1 3.19Å; Q2577-R2637 VanDerWaalsContact O-NH1 3.11Å; A2578-R2637 WeakPolarHBondContact O-CD 3.24Å; A2578-R2637 WeakPolarHBondContact O-CG 3.38Å; E2580-R2637 PolarHBondContact O-NE 3.32Å; E2580-R2637 PolarHBondContact O-NH1 3.1Å; E2580-R2637 PolarHBondContact O-NH2 3.33Å; E2580-R2637 VanDerWaalsContact O-NH2 3.11Å; E2580-R2637 IonicContact OE2-NH1 3.48Å; F2581-R2637 VanDerWaalsContact CD2-CD 3.46Å; D2583-R2637 IonicContact OD1-CZ 3.55Å; D2583-R2637 IonicContact OD1-NH2 3Å; D2583-R2637 PolarHBondContact OD1-NH2 3.45Å; D2583-R2637 IonicContact OD2-CZ 2.78Å; D2583-R2637 IonicContact OD2-NH2 3.68Å; D2583-R2637 PolarHBondContact OD2-NH2 2.97Å; T2633-R2637 WeakPolarHBondContact O-CB 3.3Å; T2633-R2637 PolarHBondContact O-N 3.27Å; R2634-R2637 PolarHBondContact O-N 3.17Å; F2635-R2637 VanDerWaalsContact C-N 3.33Å; F2635-R2637 PolarHBondContact O-N 3.31Å; R2637-A2639 VanDerWaalsContact C-N 3.27Å; R2637-A2639 PolarHBondContact O-N 3.14Å; R2637-T2640 WeakPolarHBondContact O-CB 3.35Å; R2637-T2640 PolarHBondContact O-N 3.35Å; R2637-T2640 VanDerWaalsContact O-N 3.13Å; R2637-I2641 HydrophobicContact CG-CD1 4.04Å; R2637-I2641 WeakPolarHBondContact O-CG1 3.44Å; R2637-I2641 PolarHBondContact O-N 3.11Å; R2637-L2723 HydrophobicContact CB-CD1 3.89Å; R2637-L2723 HydrophobicContact CB-CD2 3.78Å; R2637-L2723 HydrophobicContact CB-CG 4.44Å; R2637-L2723 HydrophobicContact CG-CD2 3.89Å |
| 2638 | L | 92.6 | Very high | 90.5 | Very high | 16.3333 Ų | 16.3333 | 28.7 Ų | 28.7 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 179.5 | -72.5 | 174.1 | 0 | 0 | 0 | 111.5 | D2583 L2587 V2591 R2634 F2635 I2641 F2642 | D2583-L2638 HydrophobicContact CB-CD1 4.38Å; D2583-L2638 WeakPolarHBondContact OD2-CD2 3.38Å; L2587-L2638 HydrophobicContact CB-CD1 4.37Å; L2587-L2638 HydrophobicContact CD2-CD1 3.75Å; L2587-L2638 HydrophobicContact CG-CD1 3.72Å; V2591-L2638 HydrophobicContact CB-CB 4.26Å; V2591-L2638 HydrophobicContact CG1-CB 3.95Å; V2591-L2638 HydrophobicContact CG2-CB 4.05Å; V2591-L2638 HydrophobicContact CG2-CD1 3.99Å; R2634-L2638 PolarHBondContact O-N 3.07Å; R2634-L2638 VanDerWaalsContact O-N 3.15Å; F2635-L2638 PolarHBondContact O-N 2.91Å; L2638-I2641 PolarHBondContact O-N 3.43Å; L2638-F2642 VanDerWaalsContact O-CB 3.3Å; L2638-F2642 WeakPolarHBondContact O-CB 3.42Å; L2638-F2642 PolarHBondContact O-N 3.15Å |
| 2639 | A | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V2591 M2595 F2635 L2636 R2637 F2642 V2643 Y2690 | V2591-A2639 HydrophobicContact CG1-CB 3.99Å; M2595-A2639 HydrophobicContact CG-CB 4.08Å; M2595-A2639 HydrophobicContact SD-CB 3.93Å; F2635-A2639 WeakPolarHBondContact O-CB 3.36Å; F2635-A2639 PolarHBondContact O-N 3.13Å; L2636-A2639 PolarHBondContact O-N 3.42Å; R2637-A2639 VanDerWaalsContact C-N 3.27Å; R2637-A2639 PolarHBondContact O-N 3.14Å; A2639-F2642 PolarHBondContact O-N 3.12Å; A2639-V2643 WeakPolarHBondContact O-CB 3.33Å; A2639-V2643 WeakPolarHBondContact O-CG1 3.13Å; A2639-V2643 VanDerWaalsContact O-CG2 3.22Å; A2639-V2643 WeakPolarHBondContact O-CG2 3.41Å; A2639-V2643 PolarHBondContact O-N 3.05Å; A2639-Y2690 HydrophobicContact CB-CD2 4.07Å; A2639-Y2690 HydrophobicContact CB-CE2 3.6Å |
| 2640 | T | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 175.5 | -59 | 0 | 0 | 0 | 0 | 110.8 | L2636 R2637 F2642 V2643 I2644 Y2690 I2724 | L2636-T2640 VanDerWaalsContact O-CB 3.3Å; L2636-T2640 WeakPolarHBondContact O-CB 3.33Å; L2636-T2640 PolarHBondContact O-N 3.17Å; L2636-T2640 PolarHBondContact O-OG1 3.26Å; R2637-T2640 WeakPolarHBondContact O-CB 3.35Å; R2637-T2640 PolarHBondContact O-N 3.35Å; R2637-T2640 VanDerWaalsContact O-N 3.13Å; T2640-F2642 VanDerWaalsContact C-N 3.33Å; T2640-F2642 PolarHBondContact O-N 3.33Å; T2640-V2643 WeakPolarHBondContact O-CG2 3.45Å; T2640-V2643 PolarHBondContact O-N 2.99Å; T2640-I2644 HydrophobicContact CG2-CD1 3.52Å; T2640-I2644 HydrophobicContact CG2-CG1 4.49Å; T2640-I2644 WeakPolarHBondContact O-CB 3.28Å; T2640-I2644 WeakPolarHBondContact O-CD1 3.42Å; T2640-I2644 VanDerWaalsContact O-CG1 3.27Å; T2640-I2644 WeakPolarHBondContact O-CG1 3.31Å; T2640-I2644 PolarHBondContact O-N 3.12Å; T2640-Y2690 PolarHBondContact OG1-OH 3.18Å; T2640-I2724 HydrophobicContact CG2-CG1 4.07Å |
| 2641 | I | 92.4 | Very high | 90.9 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 24% | 0.241 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -49.7 | 178.4 | -65.3 | 167.2 | 0 | 0 | 0 | 110 | R2637 L2638 V2643 I2644 E2645 | R2637-I2641 HydrophobicContact CG-CD1 4.04Å; R2637-I2641 WeakPolarHBondContact O-CG1 3.44Å; R2637-I2641 PolarHBondContact O-N 3.11Å; L2638-I2641 PolarHBondContact O-N 3.43Å; I2641-V2643 PolarHBondContact O-N 3.13Å; I2641-I2644 PolarHBondContact O-N 3.38Å; I2641-E2645 HydrophobicContact CG2-CG 4.31Å; I2641-E2645 WeakPolarHBondContact O-CB 3.24Å; I2641-E2645 WeakPolarHBondContact O-CG 3.31Å; I2641-E2645 PolarHBondContact O-N 3.31Å |
| 2642 | F | 93.8 | Very high | 90.6 | Very high | 20.3333 Ų | 20.3333 | 29.9 Ų | 29.9 | 9% | 0.089 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.1 | -48.4 | -178.6 | 175.2 | -105.5 | 0 | 0 | 0 | 113.1 | E2592 M2595 R2596 L2638 A2639 T2640 E2645 R2646 | E2592-F2642 HydrophobicContact CB-CD2 4.3Å; E2592-F2642 HydrophobicContact CB-CE2 3.99Å; E2592-F2642 HydrophobicContact CB-CZ 4.35Å; E2592-F2642 HydrophobicContact CG-CD2 3.52Å; E2592-F2642 VanDerWaalsContact CG-CD2 3.48Å; E2592-F2642 HydrophobicContact CG-CE2 3.64Å; E2592-F2642 HydrophobicContact CG-CG 4.2Å; E2592-F2642 HydrophobicContact CG-CZ 4.42Å; E2592-F2642 WeakPolarHBondContact OE2-CE2 3.32Å; M2595-F2642 HydrophobicContact CB-CD1 3.8Å; M2595-F2642 HydrophobicContact CB-CE1 3.69Å; M2595-F2642 HydrophobicContact CG-CD1 4.17Å; R2596-F2642 HydrophobicContact CG-CZ 4.12Å; L2638-F2642 VanDerWaalsContact O-CB 3.3Å; L2638-F2642 WeakPolarHBondContact O-CB 3.42Å; L2638-F2642 PolarHBondContact O-N 3.15Å; A2639-F2642 PolarHBondContact O-N 3.12Å; T2640-F2642 VanDerWaalsContact C-N 3.33Å; T2640-F2642 PolarHBondContact O-N 3.33Å; F2642-E2645 PolarHBondContact O-N 2.83Å; F2642-R2646 HydrophobicContact CE2-CG 4.36Å; F2642-R2646 HydrophobicContact CZ-CG 4.42Å; F2642-R2646 VanDerWaalsContact O-CB 3.3Å; F2642-R2646 WeakPolarHBondContact O-CB 3.33Å; F2642-R2646 WeakPolarHBondContact O-CG 3.25Å; F2642-R2646 PolarHBondContact O-N 3.05Å; F2642-R2646 VanDerWaalsContact O-N 3.1Å |
| 2643 | V | 95.2 | Very high | 90 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.6 | -39.2 | -177.2 | -152.9 | 0 | 0 | 0 | 0 | 111.3 | M2595 A2639 T2640 I2641 R2646 A2647 E2686 L2687 Y2690 L2747 | M2595-V2643 HydrophobicContact CE-CG1 3.7Å; M2595-V2643 HydrophobicContact CE-CG2 3.6Å; A2639-V2643 WeakPolarHBondContact O-CB 3.33Å; A2639-V2643 WeakPolarHBondContact O-CG1 3.13Å; A2639-V2643 VanDerWaalsContact O-CG2 3.22Å; A2639-V2643 WeakPolarHBondContact O-CG2 3.41Å; A2639-V2643 PolarHBondContact O-N 3.05Å; T2640-V2643 WeakPolarHBondContact O-CG2 3.45Å; T2640-V2643 PolarHBondContact O-N 2.99Å; I2641-V2643 PolarHBondContact O-N 3.13Å; V2643-R2646 PolarHBondContact O-N 3.14Å; V2643-A2647 WeakPolarHBondContact O-CB 3.29Å; V2643-A2647 PolarHBondContact O-N 3.09Å; V2643-E2686 HydrophobicContact CG1-CB 4.36Å; V2643-L2687 HydrophobicContact CB-CD2 4.3Å; V2643-L2687 HydrophobicContact CG1-CD2 3.64Å; V2643-L2687 HydrophobicContact CG1-CG 4.13Å; V2643-L2687 HydrophobicContact CG2-CD2 4.22Å; V2643-Y2690 HydrophobicContact CG1-CG 4.15Å; V2643-Y2690 HydrophobicContact CG2-CD1 3.81Å; V2643-Y2690 HydrophobicContact CG2-CD2 4.36Å; V2643-Y2690 HydrophobicContact CG2-CE1 4.38Å; V2643-Y2690 HydrophobicContact CG2-CG 4.04Å; V2643-L2747 HydrophobicContact CG2-CD1 4.35Å |
| 2644 | I | 93.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -47.6 | 177 | -69.8 | 166.4 | 0 | 0 | 0 | 110.5 | T2640 I2641 R2646 A2647 L2648 T2727 F2744 L2747 | T2640-I2644 HydrophobicContact CG2-CD1 3.52Å; T2640-I2644 HydrophobicContact CG2-CG1 4.49Å; T2640-I2644 WeakPolarHBondContact O-CB 3.28Å; T2640-I2644 WeakPolarHBondContact O-CD1 3.42Å; T2640-I2644 VanDerWaalsContact O-CG1 3.27Å; T2640-I2644 WeakPolarHBondContact O-CG1 3.31Å; T2640-I2644 PolarHBondContact O-N 3.12Å; I2641-I2644 PolarHBondContact O-N 3.38Å; I2644-R2646 VanDerWaalsContact C-N 3.29Å; I2644-R2646 PolarHBondContact O-N 3.04Å; I2644-A2647 PolarHBondContact O-N 3.1Å; I2644-L2648 HydrophobicContact CG2-CD1 3.75Å; I2644-L2648 HydrophobicContact CG2-CG 4.17Å; I2644-L2648 WeakPolarHBondContact O-CB 3.3Å; I2644-L2648 VanDerWaalsContact O-CG 3.28Å; I2644-L2648 WeakPolarHBondContact O-CG 3.4Å; I2644-L2648 PolarHBondContact O-N 3.28Å; I2644-T2727 HydrophobicContact CD1-CG2 3.67Å; I2644-F2744 HydrophobicContact CD1-CD1 4.14Å; I2644-F2744 HydrophobicContact CD1-CE1 3.48Å; I2644-F2744 VanDerWaalsContact CD1-CE1 3.48Å; I2644-F2744 HydrophobicContact CD1-CZ 4.02Å; I2644-F2744 HydrophobicContact CG1-CE1 4.34Å; I2644-F2744 HydrophobicContact CG2-CE1 4.45Å; I2644-F2744 HydrophobicContact CG2-CE2 4.39Å; I2644-F2744 HydrophobicContact CG2-CZ 3.95Å; I2644-L2747 HydrophobicContact CG1-CD1 4.31Å |
| 2645 | E | 91.6 | Very high | 88.1 | Confident | 98 Ų | 98 | 37.2 Ų | 37.2 | 46% | 0.458 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.8 | -41 | 178.2 | -79 | -166.1 | 169.8 | 0 | 0 | 112.1 | I2641 F2642 L2648 K2649 | I2641-E2645 HydrophobicContact CG2-CG 4.31Å; I2641-E2645 WeakPolarHBondContact O-CB 3.24Å; I2641-E2645 WeakPolarHBondContact O-CG 3.31Å; I2641-E2645 PolarHBondContact O-N 3.31Å; F2642-E2645 PolarHBondContact O-N 2.83Å; E2645-L2648 PolarHBondContact O-N 2.92Å; E2645-K2649 VanDerWaalsContact O-CB 3.26Å; E2645-K2649 WeakPolarHBondContact O-CB 3.34Å; E2645-K2649 WeakPolarHBondContact O-CD 3.34Å; E2645-K2649 WeakPolarHBondContact O-CG 3.39Å; E2645-K2649 PolarHBondContact O-N 3.23Å; E2645-K2649 IonicContact OE2-NZ 3.6Å; E2645-K2649 PolarHBondContact OE2-NZ 3.11Å |
| 2646 | R | 91.3 | Very high | 86.7 | Confident | 73 Ų | 73 | 44 Ų | 44 | 28% | 0.275 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.9 | -43.9 | 178.2 | -143.9 | 172.2 | 136.3 | 120.7 | -2.6 | 112 | R2596 F2642 V2643 I2644 L2648 K2649 Q2650 E2686 | R2596-R2646 VanDerWaalsContact CZ-NH1 3.32Å; R2596-R2646 VanDerWaalsContact NH1-NH1 3.1Å; F2642-R2646 HydrophobicContact CE2-CG 4.36Å; F2642-R2646 HydrophobicContact CZ-CG 4.42Å; F2642-R2646 VanDerWaalsContact O-CB 3.3Å; F2642-R2646 WeakPolarHBondContact O-CB 3.33Å; F2642-R2646 WeakPolarHBondContact O-CG 3.25Å; F2642-R2646 PolarHBondContact O-N 3.05Å; F2642-R2646 VanDerWaalsContact O-N 3.1Å; V2643-R2646 PolarHBondContact O-N 3.14Å; I2644-R2646 VanDerWaalsContact C-N 3.29Å; I2644-R2646 PolarHBondContact O-N 3.04Å; R2646-L2648 VanDerWaalsContact C-N 3.31Å; R2646-L2648 PolarHBondContact O-N 2.78Å; R2646-K2649 PolarHBondContact O-N 3.17Å; R2646-Q2650 WeakPolarHBondContact O-CG 3.3Å; R2646-Q2650 PolarHBondContact O-N 3.28Å; R2646-Q2650 VanDerWaalsContact O-N 3.1Å; R2646-E2686 WeakPolarHBondContact CB-OE2 3.41Å; R2646-E2686 WeakPolarHBondContact CD-OE2 3.3Å; R2646-E2686 WeakPolarHBondContact CG-OE2 3.43Å; R2646-E2686 IonicContact CZ-OE1 2.97Å; R2646-E2686 VanDerWaalsContact CZ-OE1 3.27Å; R2646-E2686 IonicContact CZ-OE2 3.56Å; R2646-E2686 IonicContact NE-OE1 2.79Å; R2646-E2686 PolarHBondContact NE-OE1 3.31Å; R2646-E2686 IonicContact NE-OE2 3.46Å; R2646-E2686 PolarHBondContact NE-OE2 3.11Å; R2646-E2686 IonicContact NH2-OE1 3.06Å; R2646-E2686 PolarHBondContact NH2-OE1 3.02Å; R2646-E2686 IonicContact NH2-OE2 3.43Å |
| 2647 | A | 91.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V2643 I2644 K2649 Q2650 L2651 A2683 L2687 P2743 | V2643-A2647 WeakPolarHBondContact O-CB 3.29Å; V2643-A2647 PolarHBondContact O-N 3.09Å; I2644-A2647 PolarHBondContact O-N 3.1Å; A2647-K2649 VanDerWaalsContact C-N 3.34Å; A2647-K2649 PolarHBondContact O-N 3.08Å; A2647-Q2650 PolarHBondContact O-N 3.22Å; A2647-L2651 VanDerWaalsContact O-CG 3.29Å; A2647-L2651 WeakPolarHBondContact O-CG 3.42Å; A2647-L2651 PolarHBondContact O-N 3.11Å; A2647-A2683 HydrophobicContact CB-CB 4.21Å; A2647-L2687 HydrophobicContact CB-CD1 4.21Å; A2647-L2687 HydrophobicContact CB-CD2 4.36Å; A2647-L2687 HydrophobicContact CB-CG 4.38Å; A2647-P2743 HydrophobicContact CB-CB 4.11Å; A2647-P2743 HydrophobicContact CB-CG 4.01Å |
| 2648 | L | 89.3 | Confident | 83 | Confident | 14.6667 Ų | 14.6667 | 53.7 Ų | 53.7 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.9 | -70.1 | 175.9 | 0 | 0 | 0 | 112.3 | I2644 E2645 R2646 Q2650 L2651 K2652 E2731 H2740 P2743 | I2644-L2648 HydrophobicContact CG2-CD1 3.75Å; I2644-L2648 HydrophobicContact CG2-CG 4.17Å; I2644-L2648 WeakPolarHBondContact O-CB 3.3Å; I2644-L2648 VanDerWaalsContact O-CG 3.28Å; I2644-L2648 WeakPolarHBondContact O-CG 3.4Å; I2644-L2648 PolarHBondContact O-N 3.28Å; E2645-L2648 PolarHBondContact O-N 2.92Å; R2646-L2648 VanDerWaalsContact C-N 3.31Å; R2646-L2648 PolarHBondContact O-N 2.78Å; L2648-Q2650 VanDerWaalsContact C-N 3.34Å; L2648-Q2650 PolarHBondContact O-N 3.25Å; L2648-L2651 PolarHBondContact O-N 2.89Å; L2648-K2652 WeakPolarHBondContact O-CB 3.41Å; L2648-K2652 VanDerWaalsContact O-CG 3.31Å; L2648-K2652 WeakPolarHBondContact O-CG 3.38Å; L2648-K2652 PolarHBondContact O-N 3.04Å; L2648-E2731 HydrophobicContact CD1-CG 4.5Å; L2648-E2731 WeakPolarHBondContact CD1-OE2 3.46Å; L2648-H2740 HydrophobicContact CD2-CB 3.67Å; L2648-P2743 HydrophobicContact CD2-CG 4.21Å |
| 2649 | K | 88 | Confident | 80.5 | Confident | 138.333 Ų | 138.333 | 60.1 Ų | 60.1 | 60% | 0.601 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 175.9 | -145.1 | 172.4 | -174.2 | 168.8 | 0 | 111.9 | E2645 R2646 A2647 L2653 | E2645-K2649 VanDerWaalsContact O-CB 3.26Å; E2645-K2649 WeakPolarHBondContact O-CB 3.34Å; E2645-K2649 WeakPolarHBondContact O-CD 3.34Å; E2645-K2649 WeakPolarHBondContact O-CG 3.39Å; E2645-K2649 PolarHBondContact O-N 3.23Å; E2645-K2649 IonicContact OE2-NZ 3.6Å; E2645-K2649 PolarHBondContact OE2-NZ 3.11Å; R2646-K2649 PolarHBondContact O-N 3.17Å; A2647-K2649 VanDerWaalsContact C-N 3.34Å; A2647-K2649 PolarHBondContact O-N 3.08Å; K2649-L2653 WeakPolarHBondContact O-CG 3.43Å; K2649-L2653 PolarHBondContact O-N 3.01Å |
| 2650 | Q | 84.4 | Confident | 78 | Confident | 32.6667 Ų | 32.6667 | 65.7 Ų | 65.7 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.6 | -71.5 | 175.2 | 6.6 | 0 | 0 | 111.9 | R2646 A2647 L2648 K2652 L2653 E2654 N2679 A2682 A2683 E2686 | R2646-Q2650 WeakPolarHBondContact O-CG 3.3Å; R2646-Q2650 PolarHBondContact O-N 3.28Å; R2646-Q2650 VanDerWaalsContact O-N 3.1Å; A2647-Q2650 PolarHBondContact O-N 3.22Å; L2648-Q2650 VanDerWaalsContact C-N 3.34Å; L2648-Q2650 PolarHBondContact O-N 3.25Å; Q2650-K2652 PolarHBondContact O-N 2.84Å; Q2650-L2653 WeakPolarHBondContact O-CB 3.2Å; Q2650-L2653 PolarHBondContact O-N 2.95Å; Q2650-E2654 PolarHBondContact O-N 3.36Å; Q2650-N2679 PolarHBondContact OE1-O 2.82Å; Q2650-A2682 VanDerWaalsContact OE1-C 3.3Å; Q2650-A2683 VanDerWaalsContact OE1-CB 3.26Å; Q2650-A2683 VanDerWaalsContact OE1-N 3.11Å; Q2650-E2686 PolarHBondContact NE2-OE1 3.35Å; Q2650-E2686 VanDerWaalsContact NE2-OE1 3.12Å; Q2650-E2686 PolarHBondContact NE2-OE2 3.39Å |
| 2651 | L | 83.1 | Confident | 75.2 | Confident | 10.3333 Ų | 10.3333 | 74.7 Ų | 74.7 | 5% | 0.054 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 177 | -67.9 | 167.4 | 0 | 0 | 0 | 112.3 | A2647 L2648 L2653 E2654 E2655 R2680 H2740 M2742 P2743 | A2647-L2651 VanDerWaalsContact O-CG 3.29Å; A2647-L2651 WeakPolarHBondContact O-CG 3.42Å; A2647-L2651 PolarHBondContact O-N 3.11Å; L2648-L2651 PolarHBondContact O-N 2.89Å; L2651-L2653 VanDerWaalsContact C-N 3.3Å; L2651-L2653 PolarHBondContact O-N 3.16Å; L2651-E2654 VanDerWaalsContact O-CB 3.29Å; L2651-E2654 WeakPolarHBondContact O-CB 3.39Å; L2651-E2654 PolarHBondContact O-N 3.08Å; L2651-E2654 VanDerWaalsContact O-N 3.13Å; L2651-E2655 PolarHBondContact O-N 3.08Å; L2651-E2655 VanDerWaalsContact O-N 3.11Å; L2651-R2680 HydrophobicContact CD2-CG 4.17Å; L2651-H2740 HydrophobicContact CD1-CB 4.32Å; L2651-M2742 HydrophobicContact CD1-SD 4.06Å; L2651-M2742 HydrophobicContact CD2-SD 4.45Å; L2651-P2743 HydrophobicContact CD1-CG 3.87Å |
| 2652 | K | 79.7 | Confident | 72.7 | Confident | 90 Ų | 90 | 78.3 Ų | 78.3 | 39% | 0.391 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 175.2 | -103.5 | 175.4 | -178.1 | 176.3 | 0 | 113 | L2648 Q2650 E2654 E2655 Q2656 L2738 | L2648-K2652 WeakPolarHBondContact O-CB 3.41Å; L2648-K2652 VanDerWaalsContact O-CG 3.31Å; L2648-K2652 WeakPolarHBondContact O-CG 3.38Å; L2648-K2652 PolarHBondContact O-N 3.04Å; Q2650-K2652 PolarHBondContact O-N 2.84Å; K2652-E2654 VanDerWaalsContact C-N 3.26Å; K2652-E2654 PolarHBondContact O-N 3.02Å; K2652-E2655 PolarHBondContact O-N 3.21Å; K2652-Q2656 WeakPolarHBondContact O-CG 3.37Å; K2652-Q2656 PolarHBondContact O-N 3.25Å; K2652-Q2656 VanDerWaalsContact O-N 3.16Å; K2652-L2738 HydrophobicContact CD-CD2 4.03Å |
| 2653 | L | 75.6 | Confident | 70.3 | Confident | 86 Ų | 86 | 83.2 Ų | 83.2 | 45% | 0.45 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.7 | -31 | 174.8 | -142.3 | 97.1 | 0 | 0 | 0 | 111.7 | K2649 Q2650 L2651 Q2657 | K2649-L2653 WeakPolarHBondContact O-CG 3.43Å; K2649-L2653 PolarHBondContact O-N 3.01Å; Q2650-L2653 WeakPolarHBondContact O-CB 3.2Å; Q2650-L2653 PolarHBondContact O-N 2.95Å; L2651-L2653 VanDerWaalsContact C-N 3.3Å; L2651-L2653 PolarHBondContact O-N 3.16Å; L2653-Q2657 WeakPolarHBondContact O-CG 3.32Å; L2653-Q2657 PolarHBondContact O-N 3.37Å |
| 2654 | E | 69.3 | Low | 67.7 | Low | 9.33333 Ų | 9.33333 | 90.4 Ų | 90.4 | 4% | 0.044 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.2 | -47.3 | 173.9 | -136.1 | -172.2 | 164.5 | 0 | 0 | 111.8 | Q2650 L2651 K2652 Q2656 Q2657 Q2658 P2676 N2679 R2680 | Q2650-E2654 PolarHBondContact O-N 3.36Å; L2651-E2654 VanDerWaalsContact O-CB 3.29Å; L2651-E2654 WeakPolarHBondContact O-CB 3.39Å; L2651-E2654 PolarHBondContact O-N 3.08Å; L2651-E2654 VanDerWaalsContact O-N 3.13Å; K2652-E2654 VanDerWaalsContact C-N 3.26Å; K2652-E2654 PolarHBondContact O-N 3.02Å; E2654-Q2656 VanDerWaalsContact C-N 3.32Å; E2654-Q2656 PolarHBondContact O-N 3.42Å; E2654-Q2657 PolarHBondContact O-N 3.17Å; E2654-Q2657 VanDerWaalsContact O-N 3.11Å; E2654-Q2658 PolarHBondContact O-N 3.47Å; E2654-Q2658 VanDerWaalsContact O-N 3.15Å; E2654-Q2658 PolarHBondContact OE1-NE2 3.37Å; E2654-P2676 HydrophobicContact CG-CB 3.57Å; E2654-P2676 VanDerWaalsContact OE1-CB 3.27Å; E2654-P2676 WeakPolarHBondContact OE1-CB 3.23Å; E2654-N2679 HydrophobicContact CG-CB 3.73Å; E2654-N2679 WeakPolarHBondContact OE1-CB 3.43Å; E2654-R2680 WeakPolarHBondContact OE1-CG 3.31Å; E2654-R2680 IonicContact OE1-CZ 3.44Å; E2654-R2680 VanDerWaalsContact OE1-CZ 3.23Å; E2654-R2680 PolarHBondContact OE1-N 3.31Å; E2654-R2680 IonicContact OE1-NE 3.01Å; E2654-R2680 PolarHBondContact OE1-NE 3.15Å; E2654-R2680 IonicContact OE1-NH2 2.87Å; E2654-R2680 PolarHBondContact OE1-NH2 3.19Å; E2654-R2680 WeakPolarHBondContact OE2-CG 3.3Å; E2654-R2680 IonicContact OE2-CZ 3.35Å; E2654-R2680 IonicContact OE2-NE 2.97Å; E2654-R2680 PolarHBondContact OE2-NE 3.35Å; E2654-R2680 IonicContact OE2-NH2 2.75Å |
| 2655 | E | 68.6 | Low | 65.1 | Low | 133.333 Ų | 133.333 | 93.4 Ų | 93.4 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | -177.8 | -139.7 | 178.1 | 178 | 0 | 0 | 112.2 | L2651 K2652 Q2657 Q2658 | L2651-E2655 PolarHBondContact O-N 3.08Å; L2651-E2655 VanDerWaalsContact O-N 3.11Å; K2652-E2655 PolarHBondContact O-N 3.21Å; E2655-Q2657 VanDerWaalsContact C-N 3.29Å; E2655-Q2657 PolarHBondContact O-N 3.37Å; E2655-Q2658 PolarHBondContact O-N 2.87Å |
| 2656 | Q | 63 | Low | 62.4 | Low | 142.667 Ų | 142.667 | 96 Ų | 96 | 67% | 0.667 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -28.5 | 174.3 | -74.1 | -177.4 | -9.4 | 0 | 0 | 113.2 | K2652 E2654 | K2652-Q2656 WeakPolarHBondContact O-CG 3.37Å; K2652-Q2656 PolarHBondContact O-N 3.25Å; K2652-Q2656 VanDerWaalsContact O-N 3.16Å; E2654-Q2656 VanDerWaalsContact C-N 3.32Å; E2654-Q2656 PolarHBondContact O-N 3.42Å |
| 2657 | Q | 57 | Low | 59.7 | Low | 99 Ų | 99 | 96.6 Ų | 96.6 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -80.2 | -22 | 177.1 | -73.7 | 178.2 | 26.7 | 0 | 0 | 113.2 | L2653 E2654 E2655 Q2659 S2674 | L2653-Q2657 WeakPolarHBondContact O-CG 3.32Å; L2653-Q2657 PolarHBondContact O-N 3.37Å; E2654-Q2657 PolarHBondContact O-N 3.17Å; E2654-Q2657 VanDerWaalsContact O-N 3.11Å; E2655-Q2657 VanDerWaalsContact C-N 3.29Å; E2655-Q2657 PolarHBondContact O-N 3.37Å; Q2657-Q2659 VanDerWaalsContact C-N 3.31Å; Q2657-Q2659 PolarHBondContact O-N 2.88Å; Q2657-S2674 PolarHBondContact OE1-OG 3.25Å |
| 2658 | Q | 52.3 | Low | 56.9 | Low | 110.333 Ų | 110.333 | 100.3 Ų | 100.3 | 52% | 0.516 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | 3 | -178.1 | -75.3 | 178.4 | 20.5 | 0 | 0 | 114.6 | E2654 E2655 | E2654-Q2658 PolarHBondContact O-N 3.47Å; E2654-Q2658 VanDerWaalsContact O-N 3.15Å; E2654-Q2658 PolarHBondContact OE1-NE2 3.37Å; E2655-Q2658 PolarHBondContact O-N 2.87Å |
| 2659 | Q | 40.9 | Very low | 54.2 | Low | 151 Ų | 151 | 102.7 Ų | 102.7 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -65.8 | 129.4 | 179.4 | -116.5 | 167.4 | 15 | 0 | 0 | 111.2 | Q2657 Q2661 | Q2657-Q2659 VanDerWaalsContact C-N 3.31Å; Q2657-Q2659 PolarHBondContact O-N 2.88Å; Q2659-Q2661 PolarHBondContact O-N 3.03Å; Q2659-Q2661 VanDerWaalsContact O-N 3.07Å |
| 2660 | P | 41.2 | Very low | 51.9 | Low | 118 Ų | 118 | 102.3 Ų | 102.3 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | trans | -67.8 | 111.7 | -165.2 | 11.6 | -13.1 | 0 | 0 | 0 | 111 | V2662 | P2660-V2662 PolarHBondContact O-N 3.19Å; P2660-V2662 VanDerWaalsContact O-N 3.13Å | ||
| 2661 | Q | 37.8 | Very low | 49.6 | Very low | 188 Ų | 188 | 105.6 Ų | 105.6 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | -65.6 | 118.3 | 167.2 | -67.2 | -166.2 | 0.7 | 0 | 0 | 108.7 | Q2659 | Q2659-Q2661 PolarHBondContact O-N 3.03Å; Q2659-Q2661 VanDerWaalsContact O-N 3.07Å | ||
| 2662 | V | 40.4 | Very low | 47.5 | Very low | 122.333 Ų | 122.333 | 115.2 Ų | 115.2 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | -57.7 | 128.4 | 173.9 | -153.8 | 0 | 0 | 0 | 0 | 108 | P2660 N2664 | P2660-V2662 PolarHBondContact O-N 3.19Å; P2660-V2662 VanDerWaalsContact O-N 3.13Å; V2662-N2664 VanDerWaalsContact C-N 3.3Å; V2662-N2664 PolarHBondContact O-N 3.23Å | ||
| 2663 | P | 43.1 | Very low | 45.8 | Very low | 123.667 Ų | 123.667 | 115.8 Ų | 115.8 | 80% | 0.803 | 70% | 0.698 | S | S | * | * | trans | -74.4 | 86.1 | -174.8 | 29.1 | -33.2 | 0 | 0 | 0 | 109.9 | G2665 | P2663-G2665 PolarHBondContact O-N 3.44Š| ||
| 2664 | N | 39.7 | Very low | 44.5 | Very low | 154.667 Ų | 154.667 | 114.7 Ų | 114.7 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | -92.8 | 107.2 | 164.2 | -90.8 | -8.8 | 0 | 0 | 0 | 108.8 | V2662 | V2662-N2664 VanDerWaalsContact C-N 3.3Å; V2662-N2664 PolarHBondContact O-N 3.23Å | ||
| 2665 | G | 38.2 | Very low | 43.7 | Very low | 66.6667 Ų | 66.6667 | 119 Ų | 119 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | trans | 26.4 | 119.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | P2663 | P2663-G2665 PolarHBondContact O-N 3.44Š| ||
| 2666 | V | 36.8 | Very low | 43.2 | Very low | 153 Ų | 153 | 115 Ų | 115 | 93% | 0.927 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 68.3 | 93.9 | 149.8 | -164.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 2667 | G | 33.9 | Very low | 43.5 | Very low | 83.6667 Ų | 83.6667 | 110.6 Ų | 110.6 | 86% | 0.863 | 69% | 0.694 | S | S | * | * | trans | 87 | 100.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2668 | G | 31.7 | Very low | 44.4 | Very low | 79.3333 Ų | 79.3333 | 110.9 Ų | 110.9 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | 175 | 89.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2669 | G | 33.2 | Very low | 45.5 | Very low | 64.3333 Ų | 64.3333 | 107.2 Ų | 107.2 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | trans | 47.7 | 149.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | S2671 | G2669-S2671 VanDerWaalsContact C-N 3.31Å; G2669-S2671 PolarHBondContact O-N 3.27Å | ||
| 2670 | P | 40.5 | Very low | 47.5 | Very low | 129.667 Ų | 129.667 | 105.1 Ų | 105.1 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | trans | -71.3 | 89.9 | 178 | 30.3 | -31.7 | 0 | 0 | 0 | 109.2 | F2672 | P2670-F2672 PolarHBondContact O-N 3.31Å; P2670-F2672 VanDerWaalsContact O-N 3.11Å | ||
| 2671 | S | 35.6 | Very low | 49.6 | Very low | 103 Ų | 103 | 103.5 Ų | 103.5 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | -64.8 | 121.4 | 164.2 | 68.9 | 0 | 0 | 0 | 0 | 107.3 | G2669 S2673 | G2669-S2671 VanDerWaalsContact C-N 3.31Å; G2669-S2671 PolarHBondContact O-N 3.27Å; S2671-S2673 VanDerWaalsContact C-N 3.27Å; S2671-S2673 PolarHBondContact O-N 3Å | ||
| 2672 | F | 39.4 | Very low | 51.8 | Low | 211.333 Ų | 211.333 | 96.3 Ų | 96.3 | 93% | 0.927 | 63% | 0.628 | S | S | * | * | trans | -54.4 | 87.7 | 173.7 | -71 | -90.1 | 0 | 0 | 0 | 110.3 | P2670 S2674 | P2670-F2672 PolarHBondContact O-N 3.31Å; P2670-F2672 VanDerWaalsContact O-N 3.11Å; F2672-S2674 PolarHBondContact O-N 3.2Å; F2672-S2674 VanDerWaalsContact O-N 3.08Å | ||
| 2673 | S | 44.4 | Very low | 54.2 | Low | 103 Ų | 103 | 90.5 Ų | 90.5 | 72% | 0.72 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 121.2 | 169.4 | 54.8 | 0 | 0 | 0 | 0 | 107.6 | S2671 N2675 | S2671-S2673 VanDerWaalsContact C-N 3.27Å; S2671-S2673 PolarHBondContact O-N 3Å; S2673-N2675 PolarHBondContact O-N 3.11Å; S2673-N2675 VanDerWaalsContact O-N 3.11Å |
| 2674 | S | 47.8 | Very low | 56.5 | Low | 62.6667 Ų | 62.6667 | 88.2 Ų | 88.2 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -49.7 | 117.6 | 172.7 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | Q2657 F2672 P2676 | Q2657-S2674 PolarHBondContact OE1-OG 3.25Å; F2672-S2674 PolarHBondContact O-N 3.2Å; F2672-S2674 VanDerWaalsContact O-N 3.08Å; S2674-P2676 WeakPolarHBondContact O-CD 3.48Å |
| 2675 | N | 52 | Low | 59 | Low | 100.333 Ų | 100.333 | 82.6 Ų | 82.6 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 122.6 | -176.9 | -154.7 | -20.2 | 0 | 0 | 0 | 108.4 | S2673 A2677 I2678 | S2673-N2675 PolarHBondContact O-N 3.11Å; S2673-N2675 VanDerWaalsContact O-N 3.11Å; N2675-A2677 PolarHBondContact O-N 3.16Å; N2675-A2677 PolarHBondContact OD1-N 2.58Å; N2675-I2678 HydrophobicContact CB-CD1 3.95Å; N2675-I2678 HydrophobicContact CB-CG1 4.13Å; N2675-I2678 WeakPolarHBondContact O-CB 3.31Å; N2675-I2678 PolarHBondContact O-N 2.96Å |
| 2676 | P | 57.3 | Low | 61.6 | Low | 47.3333 Ų | 47.3333 | 79.9 Ų | 79.9 | 31% | 0.307 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55.1 | -25.7 | -178.3 | 19.7 | -32.5 | 0 | 0 | 0 | 112.9 | E2654 S2674 I2678 N2679 | E2654-P2676 HydrophobicContact CG-CB 3.57Å; E2654-P2676 VanDerWaalsContact OE1-CB 3.27Å; E2654-P2676 WeakPolarHBondContact OE1-CB 3.23Å; S2674-P2676 WeakPolarHBondContact O-CD 3.48Å; P2676-I2678 PolarHBondContact O-N 3.29Å; P2676-N2679 PolarHBondContact O-N 3.21Å |
| 2677 | A | 69.9 | Low | 64.4 | Low | 50.3333 Ų | 50.3333 | 72.6 Ų | 72.6 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.5 | -31.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N2675 R2680 V2681 | N2675-A2677 PolarHBondContact O-N 3.16Å; N2675-A2677 PolarHBondContact OD1-N 2.58Å; A2677-R2680 PolarHBondContact O-N 3.05Å; A2677-V2681 VanDerWaalsContact O-CG2 3.24Å; A2677-V2681 WeakPolarHBondContact O-CG2 3.35Å; A2677-V2681 PolarHBondContact O-N 3.29Å; A2677-V2681 VanDerWaalsContact O-N 3.15Å |
| 2678 | I | 75.5 | Confident | 67.3 | Low | 105.667 Ų | 105.667 | 69.6 Ų | 69.6 | 54% | 0.542 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | -176.7 | -62.7 | 168.4 | 0 | 0 | 0 | 111 | N2675 P2676 R2680 V2681 A2682 | N2675-I2678 HydrophobicContact CB-CD1 3.95Å; N2675-I2678 HydrophobicContact CB-CG1 4.13Å; N2675-I2678 WeakPolarHBondContact O-CB 3.31Å; N2675-I2678 PolarHBondContact O-N 2.96Å; P2676-I2678 PolarHBondContact O-N 3.29Å; I2678-R2680 VanDerWaalsContact C-N 3.32Å; I2678-R2680 PolarHBondContact O-N 3.24Å; I2678-V2681 PolarHBondContact O-N 3.21Å; I2678-A2682 PolarHBondContact O-N 3.05Å |
| 2679 | N | 76.8 | Confident | 70.3 | Confident | 32.6667 Ų | 32.6667 | 65.8 Ų | 65.8 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | -179.7 | -70.8 | -18.1 | 0 | 0 | 0 | 111.4 | Q2650 E2654 P2676 V2681 A2682 A2683 | Q2650-N2679 PolarHBondContact OE1-O 2.82Å; E2654-N2679 HydrophobicContact CG-CB 3.73Å; E2654-N2679 WeakPolarHBondContact OE1-CB 3.43Å; P2676-N2679 PolarHBondContact O-N 3.21Å; N2679-V2681 VanDerWaalsContact C-N 3.34Å; N2679-V2681 PolarHBondContact O-N 3.31Å; N2679-A2682 PolarHBondContact O-N 3.09Å; N2679-A2683 PolarHBondContact O-N 3.28Å; N2679-A2683 VanDerWaalsContact O-N 3.09Å |
| 2680 | R | 82.2 | Confident | 73.3 | Confident | 106.667 Ų | 106.667 | 62.8 Ų | 62.8 | 40% | 0.403 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 174.1 | -59.8 | -171 | -162.3 | 166.7 | 3.1 | 112.3 | L2651 E2654 A2677 I2678 A2682 A2683 Y2684 | L2651-R2680 HydrophobicContact CD2-CG 4.17Å; E2654-R2680 WeakPolarHBondContact OE1-CG 3.31Å; E2654-R2680 IonicContact OE1-CZ 3.44Å; E2654-R2680 VanDerWaalsContact OE1-CZ 3.23Å; E2654-R2680 PolarHBondContact OE1-N 3.31Å; E2654-R2680 IonicContact OE1-NE 3.01Å; E2654-R2680 PolarHBondContact OE1-NE 3.15Å; E2654-R2680 IonicContact OE1-NH2 2.87Å; E2654-R2680 PolarHBondContact OE1-NH2 3.19Å; E2654-R2680 WeakPolarHBondContact OE2-CG 3.3Å; E2654-R2680 IonicContact OE2-CZ 3.35Å; E2654-R2680 IonicContact OE2-NE 2.97Å; E2654-R2680 PolarHBondContact OE2-NE 3.35Å; E2654-R2680 IonicContact OE2-NH2 2.75Å; A2677-R2680 PolarHBondContact O-N 3.05Å; I2678-R2680 VanDerWaalsContact C-N 3.32Å; I2678-R2680 PolarHBondContact O-N 3.24Å; R2680-A2682 VanDerWaalsContact C-N 3.3Å; R2680-A2682 PolarHBondContact O-N 3.22Å; R2680-A2683 WeakPolarHBondContact O-CB 3.46Å; R2680-A2683 PolarHBondContact O-N 3.2Å; R2680-A2683 VanDerWaalsContact O-N 3.12Å; R2680-Y2684 HydrophobicContact CB-CE1 4.15Å; R2680-Y2684 HydrophobicContact CB-CE2 4.17Å; R2680-Y2684 WeakPolarHBondContact O-CD1 3.24Å; R2680-Y2684 VanDerWaalsContact O-CD2 3.24Å; R2680-Y2684 WeakPolarHBondContact O-CD2 3.34Å; R2680-Y2684 VanDerWaalsContact O-CG 3.22Å; R2680-Y2684 PolarHBondContact O-N 3.09Å |
| 2681 | V | 85.1 | Confident | 75.9 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 52% | 0.515 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 177 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | A2677 I2678 N2679 A2683 Y2684 V2685 | A2677-V2681 VanDerWaalsContact O-CG2 3.24Å; A2677-V2681 WeakPolarHBondContact O-CG2 3.35Å; A2677-V2681 PolarHBondContact O-N 3.29Å; A2677-V2681 VanDerWaalsContact O-N 3.15Å; I2678-V2681 PolarHBondContact O-N 3.21Å; N2679-V2681 VanDerWaalsContact C-N 3.34Å; N2679-V2681 PolarHBondContact O-N 3.31Å; V2681-A2683 VanDerWaalsContact C-N 3.34Å; V2681-A2683 PolarHBondContact O-N 3.06Å; V2681-Y2684 PolarHBondContact O-N 3.19Å; V2681-V2685 WeakPolarHBondContact O-CG2 3.38Å; V2681-V2685 PolarHBondContact O-N 3.02Å; V2681-V2685 VanDerWaalsContact O-N 3.08Å |
| 2682 | A | 85.2 | Confident | 78.7 | Confident | 37.6667 Ų | 37.6667 | 53.2 Ų | 53.2 | 31% | 0.311 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q2650 I2678 N2679 R2680 Y2684 V2685 E2686 | Q2650-A2682 VanDerWaalsContact OE1-C 3.3Å; I2678-A2682 PolarHBondContact O-N 3.05Å; N2679-A2682 PolarHBondContact O-N 3.09Å; R2680-A2682 VanDerWaalsContact C-N 3.3Å; R2680-A2682 PolarHBondContact O-N 3.22Å; A2682-Y2684 VanDerWaalsContact C-N 3.3Å; A2682-Y2684 PolarHBondContact O-N 3.17Å; A2682-V2685 PolarHBondContact O-N 3.28Å; A2682-E2686 WeakPolarHBondContact O-CG 3.26Å; A2682-E2686 PolarHBondContact O-N 3.15Å |
| 2683 | A | 89.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A2647 Q2650 N2679 R2680 V2681 V2685 E2686 L2687 M2742 | A2647-A2683 HydrophobicContact CB-CB 4.21Å; Q2650-A2683 VanDerWaalsContact OE1-CB 3.26Å; Q2650-A2683 VanDerWaalsContact OE1-N 3.11Å; N2679-A2683 PolarHBondContact O-N 3.28Å; N2679-A2683 VanDerWaalsContact O-N 3.09Å; R2680-A2683 WeakPolarHBondContact O-CB 3.46Å; R2680-A2683 PolarHBondContact O-N 3.2Å; R2680-A2683 VanDerWaalsContact O-N 3.12Å; V2681-A2683 VanDerWaalsContact C-N 3.34Å; V2681-A2683 PolarHBondContact O-N 3.06Å; A2683-V2685 VanDerWaalsContact C-N 3.35Å; A2683-V2685 PolarHBondContact O-N 3.47Å; A2683-E2686 PolarHBondContact O-N 2.86Å; A2683-L2687 WeakPolarHBondContact O-CD1 3.34Å; A2683-L2687 VanDerWaalsContact O-CG 3.29Å; A2683-L2687 WeakPolarHBondContact O-CG 3.19Å; A2683-L2687 PolarHBondContact O-N 3.18Å; A2683-L2687 VanDerWaalsContact O-N 3.15Å; A2683-M2742 HydrophobicContact CB-CE 4Å |
| 2684 | Y | 92.5 | Very high | 83.6 | Confident | 75 Ų | 75 | 38.2 Ų | 38.2 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.6 | -65.4 | -12.6 | 0 | 0 | 0 | 111.1 | R2680 V2681 A2682 E2686 L2687 D2688 M2742 R2746 | R2680-Y2684 HydrophobicContact CB-CE1 4.15Å; R2680-Y2684 HydrophobicContact CB-CE2 4.17Å; R2680-Y2684 WeakPolarHBondContact O-CD1 3.24Å; R2680-Y2684 VanDerWaalsContact O-CD2 3.24Å; R2680-Y2684 WeakPolarHBondContact O-CD2 3.34Å; R2680-Y2684 VanDerWaalsContact O-CG 3.22Å; R2680-Y2684 PolarHBondContact O-N 3.09Å; V2681-Y2684 PolarHBondContact O-N 3.19Å; A2682-Y2684 VanDerWaalsContact C-N 3.3Å; A2682-Y2684 PolarHBondContact O-N 3.17Å; Y2684-E2686 VanDerWaalsContact C-N 3.29Å; Y2684-E2686 PolarHBondContact O-N 3.41Å; Y2684-L2687 PolarHBondContact O-N 3.17Å; Y2684-D2688 VanDerWaalsContact O-CB 3.25Å; Y2684-D2688 WeakPolarHBondContact O-CB 3.4Å; Y2684-D2688 PolarHBondContact O-N 3.15Å; Y2684-D2688 VanDerWaalsContact O-OD1 3.13Å; Y2684-M2742 HydrophobicContact CD1-CE 3.23Å; Y2684-M2742 HydrophobicContact CD1-SD 4.22Å; Y2684-M2742 HydrophobicContact CE1-CE 3.07Å; Y2684-M2742 HydrophobicContact CE1-CG 4.14Å; Y2684-M2742 HydrophobicContact CE1-SD 3.83Å; Y2684-M2742 HydrophobicContact CG-CE 4.19Å; Y2684-R2746 HydrophobicContact CD1-CG 3.92Å; Y2684-R2746 HydrophobicContact CE1-CG 4.42Å |
| 2685 | V | 91.9 | Very high | 85.7 | Confident | 36.3333 Ų | 36.3333 | 35.4 Ų | 35.4 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 179.3 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | V2599 Y2602 Q2603 V2681 A2682 A2683 A2689 | V2599-V2685 HydrophobicContact CG1-CG1 4.31Å; Y2602-V2685 HydrophobicContact CD1-CG1 4.24Å; Y2602-V2685 HydrophobicContact CE1-CG1 4.49Å; Q2603-V2685 HydrophobicContact CG-CG1 3.61Å; V2681-V2685 WeakPolarHBondContact O-CG2 3.38Å; V2681-V2685 PolarHBondContact O-N 3.02Å; V2681-V2685 VanDerWaalsContact O-N 3.08Å; A2682-V2685 PolarHBondContact O-N 3.28Å; A2683-V2685 VanDerWaalsContact C-N 3.35Å; A2683-V2685 PolarHBondContact O-N 3.47Å; V2685-A2689 VanDerWaalsContact O-CB 3.25Å; V2685-A2689 WeakPolarHBondContact O-CB 3.28Å; V2685-A2689 PolarHBondContact O-N 3.13Å |
| 2686 | E | 92.6 | Very high | 87.5 | Confident | 11.3333 Ų | 11.3333 | 31.4 Ų | 31.4 | 5% | 0.053 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.5 | -43.8 | 178.9 | -65.2 | -151.2 | -175.3 | 0 | 0 | 112.5 | V2599 V2643 R2646 Q2650 A2682 A2683 Y2684 Y2690 | V2599-E2686 HydrophobicContact CG1-CG 4.12Å; V2599-E2686 HydrophobicContact CG2-CB 4.44Å; V2599-E2686 HydrophobicContact CG2-CG 4.28Å; V2599-E2686 WeakPolarHBondContact CG2-OE2 3.3Å; V2643-E2686 HydrophobicContact CG1-CB 4.36Å; R2646-E2686 WeakPolarHBondContact CB-OE2 3.41Å; R2646-E2686 WeakPolarHBondContact CD-OE2 3.3Å; R2646-E2686 WeakPolarHBondContact CG-OE2 3.43Å; R2646-E2686 IonicContact CZ-OE1 2.97Å; R2646-E2686 VanDerWaalsContact CZ-OE1 3.27Å; R2646-E2686 IonicContact CZ-OE2 3.56Å; R2646-E2686 IonicContact NE-OE1 2.79Å; R2646-E2686 PolarHBondContact NE-OE1 3.31Å; R2646-E2686 IonicContact NE-OE2 3.46Å; R2646-E2686 PolarHBondContact NE-OE2 3.11Å; R2646-E2686 IonicContact NH2-OE1 3.06Å; R2646-E2686 PolarHBondContact NH2-OE1 3.02Å; R2646-E2686 IonicContact NH2-OE2 3.43Å; Q2650-E2686 PolarHBondContact NE2-OE1 3.35Å; Q2650-E2686 VanDerWaalsContact NE2-OE1 3.12Å; Q2650-E2686 PolarHBondContact NE2-OE2 3.39Å; A2682-E2686 WeakPolarHBondContact O-CG 3.26Å; A2682-E2686 PolarHBondContact O-N 3.15Å; A2683-E2686 PolarHBondContact O-N 2.86Å; Y2684-E2686 VanDerWaalsContact C-N 3.29Å; Y2684-E2686 PolarHBondContact O-N 3.41Å; E2686-Y2690 PolarHBondContact O-N 3.23Å; E2686-Y2690 VanDerWaalsContact O-N 3.1Å |
| 2687 | L | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -43.4 | 178.8 | -67.3 | 164.5 | 0 | 0 | 0 | 111.6 | V2643 A2647 A2683 Y2684 Y2690 A2691 M2742 P2743 R2746 L2747 | V2643-L2687 HydrophobicContact CB-CD2 4.3Å; V2643-L2687 HydrophobicContact CG1-CD2 3.64Å; V2643-L2687 HydrophobicContact CG1-CG 4.13Å; V2643-L2687 HydrophobicContact CG2-CD2 4.22Å; A2647-L2687 HydrophobicContact CB-CD1 4.21Å; A2647-L2687 HydrophobicContact CB-CD2 4.36Å; A2647-L2687 HydrophobicContact CB-CG 4.38Å; A2683-L2687 WeakPolarHBondContact O-CD1 3.34Å; A2683-L2687 VanDerWaalsContact O-CG 3.29Å; A2683-L2687 WeakPolarHBondContact O-CG 3.19Å; A2683-L2687 PolarHBondContact O-N 3.18Å; A2683-L2687 VanDerWaalsContact O-N 3.15Å; Y2684-L2687 PolarHBondContact O-N 3.17Å; L2687-Y2690 PolarHBondContact O-N 3.22Å; L2687-A2691 PolarHBondContact O-N 3.29Å; L2687-M2742 HydrophobicContact CD1-CE 3.58Å; L2687-M2742 HydrophobicContact CD1-SD 4.46Å; L2687-P2743 HydrophobicContact CD1-CB 4.07Å; L2687-P2743 HydrophobicContact CD2-CB 4.18Å; L2687-R2746 HydrophobicContact CB-CG 4.3Å; L2687-R2746 HydrophobicContact CD1-CB 4.25Å; L2687-R2746 HydrophobicContact CD1-CG 4.23Å; L2687-L2747 HydrophobicContact CB-CD2 3.78Å; L2687-L2747 HydrophobicContact CB-CG 4.25Å; L2687-L2747 HydrophobicContact CD2-CB 4.36Å; L2687-L2747 HydrophobicContact CD2-CD1 3.92Å; L2687-L2747 HydrophobicContact CD2-CD2 3.93Å; L2687-L2747 HydrophobicContact CD2-CG 3.78Å; L2687-L2747 HydrophobicContact CG-CD2 4.45Å; L2687-L2747 WeakPolarHBondContact O-CD2 3.35Å |
| 2688 | D | 94.7 | Very high | 90 | Very high | 20.3333 Ų | 20.3333 | 26.9 Ų | 26.9 | 11% | 0.109 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 179.2 | -64.7 | 3.5 | 0 | 0 | 0 | 110.8 | Y2602 Y2684 Y2690 A2691 R2692 R2746 I2750 | Y2602-D2688 HydrophobicContact CE1-CB 4.09Å; Y2602-D2688 WeakPolarHBondContact OH-CB 3.43Å; Y2684-D2688 VanDerWaalsContact O-CB 3.25Å; Y2684-D2688 WeakPolarHBondContact O-CB 3.4Å; Y2684-D2688 PolarHBondContact O-N 3.15Å; Y2684-D2688 VanDerWaalsContact O-OD1 3.13Å; D2688-Y2690 VanDerWaalsContact C-N 3.32Å; D2688-Y2690 PolarHBondContact O-N 3.15Å; D2688-A2691 PolarHBondContact O-N 3.26Å; D2688-R2692 PolarHBondContact O-N 3.15Å; D2688-R2746 IonicContact OD1-CZ 3.24Å; D2688-R2746 IonicContact OD1-NE 3.34Å; D2688-R2746 PolarHBondContact OD1-NE 2.95Å; D2688-R2746 IonicContact OD1-NH2 2.96Å; D2688-R2746 PolarHBondContact OD1-NH2 3.15Å; D2688-R2746 IonicContact OD2-CZ 3.46Å; D2688-R2746 IonicContact OD2-NE 2.99Å; D2688-R2746 IonicContact OD2-NH2 3.14Å; D2688-R2746 PolarHBondContact OD2-NH2 3.11Å; D2688-I2750 HydrophobicContact CB-CD1 4.02Å; D2688-I2750 HydrophobicContact CB-CG2 4.48Å; D2688-I2750 WeakPolarHBondContact OD1-CD1 3.4Å |
| 2689 | A | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W2598 V2599 Y2602 V2685 R2692 L2693 | W2598-A2689 PolarHBondContact NE1-O 3.43Å; V2599-A2689 HydrophobicContact CG2-CB 3.91Å; Y2602-A2689 HydrophobicContact CD1-CB 3.74Å; Y2602-A2689 HydrophobicContact CD2-CB 3.97Å; Y2602-A2689 HydrophobicContact CE1-CB 4.35Å; Y2602-A2689 HydrophobicContact CE2-CB 4.4Å; Y2602-A2689 HydrophobicContact CG-CB 3.54Å; V2685-A2689 VanDerWaalsContact O-CB 3.25Å; V2685-A2689 WeakPolarHBondContact O-CB 3.28Å; V2685-A2689 PolarHBondContact O-N 3.13Å; A2689-R2692 PolarHBondContact O-N 3.07Å; A2689-L2693 PolarHBondContact O-N 3.18Å |
| 2690 | Y | 96.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 176.9 | 177.1 | -117.1 | 0 | 0 | 0 | 112.6 | M2595 L2636 A2639 T2640 V2643 E2686 L2687 D2688 R2692 L2693 V2694 L2747 | M2595-Y2690 HydrophobicContact CE-CD2 3.84Å; M2595-Y2690 HydrophobicContact CE-CG 4.32Å; M2595-Y2690 HydrophobicContact SD-CD2 4.33Å; L2636-Y2690 HydrophobicContact CD2-CE2 3.96Å; L2636-Y2690 PolarHBondContact O-OH 3.23Å; A2639-Y2690 HydrophobicContact CB-CD2 4.07Å; A2639-Y2690 HydrophobicContact CB-CE2 3.6Å; T2640-Y2690 PolarHBondContact OG1-OH 3.18Å; V2643-Y2690 HydrophobicContact CG1-CG 4.15Å; V2643-Y2690 HydrophobicContact CG2-CD1 3.81Å; V2643-Y2690 HydrophobicContact CG2-CD2 4.36Å; V2643-Y2690 HydrophobicContact CG2-CE1 4.38Å; V2643-Y2690 HydrophobicContact CG2-CG 4.04Å; E2686-Y2690 PolarHBondContact O-N 3.23Å; E2686-Y2690 VanDerWaalsContact O-N 3.1Å; L2687-Y2690 PolarHBondContact O-N 3.22Å; D2688-Y2690 VanDerWaalsContact C-N 3.32Å; D2688-Y2690 PolarHBondContact O-N 3.15Å; Y2690-R2692 VanDerWaalsContact C-N 3.27Å; Y2690-R2692 PolarHBondContact O-N 3.38Å; Y2690-L2693 WeakPolarHBondContact O-CB 3.39Å; Y2690-L2693 PolarHBondContact O-N 2.96Å; Y2690-L2693 VanDerWaalsContact O-N 3.1Å; Y2690-V2694 HydrophobicContact CD1-CG2 4.47Å; Y2690-V2694 HydrophobicContact CD2-CG2 4.25Å; Y2690-V2694 HydrophobicContact CE1-CG2 4.01Å; Y2690-V2694 HydrophobicContact CE2-CG2 3.69Å; Y2690-V2694 VanDerWaalsContact CZ-CG2 3.47Å; Y2690-V2694 WeakPolarHBondContact O-CG2 3.39Å; Y2690-V2694 PolarHBondContact O-N 3.21Å; Y2690-L2747 HydrophobicContact CD1-CD1 3.72Å; Y2690-L2747 VanDerWaalsContact CD1-CD1 3.46Å; Y2690-L2747 HydrophobicContact CD1-CD2 3.85Å; Y2690-L2747 HydrophobicContact CD1-CG 4.38Å; Y2690-L2747 HydrophobicContact CE1-CD1 4.12Å; Y2690-L2747 HydrophobicContact CE1-CD2 4.05Å; Y2690-L2747 HydrophobicContact CE1-CG 4.48Å |
| 2691 | A | 95.6 | Very high | 90.1 | Very high | 0.333333 Ų | 0.333333 | 21.4 Ų | 21.4 | 0% | 0.003 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.7 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2687 D2688 V2694 S2695 L2747 I2750 L2751 | L2687-A2691 PolarHBondContact O-N 3.29Å; D2688-A2691 PolarHBondContact O-N 3.26Å; A2691-V2694 PolarHBondContact O-N 3.23Å; A2691-S2695 PolarHBondContact O-N 3.08Å; A2691-S2695 VanDerWaalsContact O-N 3.07Å; A2691-L2747 HydrophobicContact CB-CD1 3.91Å; A2691-L2747 HydrophobicContact CB-CD2 4.4Å; A2691-I2750 HydrophobicContact CB-CB 4.13Å; A2691-I2750 HydrophobicContact CB-CG2 3.65Å; A2691-I2750 VanDerWaalsContact CB-CG2 3.47Å; A2691-L2751 HydrophobicContact CB-CB 4.32Å |
| 2692 | R | 93.3 | Very high | 89 | Confident | 29.3333 Ų | 29.3333 | 19.4 Ų | 19.4 | 11% | 0.111 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -41.2 | 174.9 | -176 | 142.4 | -102.4 | -157 | -5.2 | 112.1 | W2598 Y2602 D2688 A2689 Y2690 V2694 S2695 I2696 E2754 | W2598-R2692 HydrophobicContact CZ2-CB 4.49Å; W2598-R2692 HydrophobicContact CZ2-CG 4.24Å; Y2602-R2692 HydrophobicContact CD2-CB 4.34Å; Y2602-R2692 HydrophobicContact CE2-CB 4.03Å; Y2602-R2692 HydrophobicContact CE2-CG 4.34Å; Y2602-R2692 VanDerWaalsContact CE2-NE 3.28Å; D2688-R2692 PolarHBondContact O-N 3.15Å; A2689-R2692 PolarHBondContact O-N 3.07Å; Y2690-R2692 VanDerWaalsContact C-N 3.27Å; Y2690-R2692 PolarHBondContact O-N 3.38Å; R2692-V2694 VanDerWaalsContact C-N 3.33Å; R2692-V2694 PolarHBondContact O-N 3.15Å; R2692-S2695 WeakPolarHBondContact O-CB 3.34Å; R2692-S2695 PolarHBondContact O-N 3.28Å; R2692-S2695 VanDerWaalsContact O-N 3.16Å; R2692-I2696 HydrophobicContact CG-CD1 4.07Å; R2692-I2696 HydrophobicContact CG-CG1 4.43Å; R2692-I2696 WeakPolarHBondContact O-CG1 3.29Å; R2692-I2696 PolarHBondContact O-N 3.02Å; R2692-E2754 WeakPolarHBondContact CD-OE2 3.47Å; R2692-E2754 IonicContact CZ-OE1 3.08Å; R2692-E2754 IonicContact CZ-OE2 3.78Å; R2692-E2754 IonicContact NE-OE1 2.97Å; R2692-E2754 IonicContact NE-OE2 2.75Å; R2692-E2754 PolarHBondContact NE-OE2 2.99Å; R2692-E2754 IonicContact NH1-OE1 2.91Å; R2692-E2754 PolarHBondContact NH1-OE1 3.39Å; R2692-E2754 IonicContact NH1-OE2 3.53Å; R2692-E2754 PolarHBondContact NH1-OE2 2.9Å; R2692-E2754 VanDerWaalsContact NH2-CD 3.28Å; R2692-E2754 IonicContact NH2-OE1 3.22Å; R2692-E2754 PolarHBondContact NH2-OE1 2.84Å; R2692-E2754 IonicContact NH2-OE2 3.27Å; R2692-E2754 PolarHBondContact NH2-OE2 3.15Å |
| 2693 | L | 93.8 | Very high | 87.5 | Confident | 0.333333 Ų | 0.333333 | 24.3 Ų | 24.3 | 0% | 0.002 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 175.9 | -179.6 | 61.3 | 0 | 0 | 0 | 111.6 | M2595 L2616 L2620 F2635 A2689 Y2690 S2695 I2696 L2697 | M2595-L2693 HydrophobicContact CE-CD2 4.4Å; M2595-L2693 HydrophobicContact SD-CD2 3.53Å; M2595-L2693 VanDerWaalsContact SD-CD2 3.54Å; M2595-L2693 WeakPolarHBondContact SD-CD2 3.39Å; L2616-L2693 HydrophobicContact CD1-CD1 4.26Å; L2616-L2693 HydrophobicContact CD2-CD1 3.72Å; L2620-L2693 HydrophobicContact CD1-CD1 4.34Å; F2635-L2693 HydrophobicContact CE1-CD2 4.05Å; F2635-L2693 HydrophobicContact CZ-CD2 4.16Å; A2689-L2693 PolarHBondContact O-N 3.18Å; Y2690-L2693 WeakPolarHBondContact O-CB 3.39Å; Y2690-L2693 PolarHBondContact O-N 2.96Å; Y2690-L2693 VanDerWaalsContact O-N 3.1Å; L2693-S2695 VanDerWaalsContact C-N 3.33Å; L2693-S2695 PolarHBondContact O-N 3.25Å; L2693-I2696 PolarHBondContact O-N 3.07Å; L2693-L2697 HydrophobicContact CD1-CD1 4.41Å; L2693-L2697 HydrophobicContact CD1-CG 4.48Å; L2693-L2697 HydrophobicContact CG-CD1 4.22Å; L2693-L2697 WeakPolarHBondContact O-CG 3.36Å; L2693-L2697 PolarHBondContact O-N 3.05Å |
| 2694 | V | 93.8 | Very high | 85.7 | Confident | 0.333333 Ų | 0.333333 | 28.9 Ų | 28.9 | 0% | 0.002 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | L2636 Y2690 A2691 R2692 I2696 L2697 I2698 V2720 L2751 | L2636-V2694 HydrophobicContact CD2-CG2 3.9Å; Y2690-V2694 HydrophobicContact CD1-CG2 4.47Å; Y2690-V2694 HydrophobicContact CD2-CG2 4.25Å; Y2690-V2694 HydrophobicContact CE1-CG2 4.01Å; Y2690-V2694 HydrophobicContact CE2-CG2 3.69Å; Y2690-V2694 VanDerWaalsContact CZ-CG2 3.47Å; Y2690-V2694 WeakPolarHBondContact O-CG2 3.39Å; Y2690-V2694 PolarHBondContact O-N 3.21Å; A2691-V2694 PolarHBondContact O-N 3.23Å; R2692-V2694 VanDerWaalsContact C-N 3.33Å; R2692-V2694 PolarHBondContact O-N 3.15Å; V2694-I2696 PolarHBondContact O-N 2.87Å; V2694-L2697 PolarHBondContact O-N 3.03Å; V2694-I2698 HydrophobicContact CG1-CD1 3.65Å; V2694-I2698 HydrophobicContact CG1-CG1 4.39Å; V2694-I2698 VanDerWaalsContact O-CG1 3.31Å; V2694-I2698 WeakPolarHBondContact O-CG1 3.25Å; V2694-I2698 PolarHBondContact O-N 3.21Å; V2694-V2720 HydrophobicContact CG1-CB 4.44Å; V2694-V2720 HydrophobicContact CG1-CG1 3.79Å; V2694-V2720 HydrophobicContact CG1-CG2 4.47Å; V2694-V2720 HydrophobicContact CG2-CG1 4.14Å; V2694-L2751 HydrophobicContact CB-CD1 3.93Å; V2694-L2751 HydrophobicContact CG1-CD1 3.61Å; V2694-L2751 HydrophobicContact CG1-CD2 4.25Å |
| 2695 | S | 92.6 | Very high | 83.5 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.8 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | A2691 R2692 L2693 L2697 I2698 N2699 | A2691-S2695 PolarHBondContact O-N 3.08Å; A2691-S2695 VanDerWaalsContact O-N 3.07Å; R2692-S2695 WeakPolarHBondContact O-CB 3.34Å; R2692-S2695 PolarHBondContact O-N 3.28Å; R2692-S2695 VanDerWaalsContact O-N 3.16Å; L2693-S2695 VanDerWaalsContact C-N 3.33Å; L2693-S2695 PolarHBondContact O-N 3.25Å; S2695-L2697 PolarHBondContact O-N 3.44Å; S2695-I2698 PolarHBondContact O-N 2.92Å; S2695-N2699 WeakPolarHBondContact O-CB 3.35Å; S2695-N2699 PolarHBondContact O-N 3.28Å; S2695-N2699 PolarHBondContact O-ND2 3.18Å; S2695-N2699 PolarHBondContact OG-ND2 3.44Å |
| 2696 | I | 90.1 | Very high | 81.2 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 176.5 | -68.8 | 165.9 | 0 | 0 | 0 | 110.6 | W2598 I2613 L2617 R2692 L2693 V2694 I2698 N2699 Q2700 | W2598-I2696 HydrophobicContact CH2-CD1 3.76Å; W2598-I2696 HydrophobicContact CZ2-CD1 3.87Å; I2613-I2696 HydrophobicContact CD1-CD1 4.42Å; I2613-I2696 HydrophobicContact CG1-CD1 4.32Å; I2613-I2696 HydrophobicContact CG2-CG2 3.78Å; L2617-I2696 HydrophobicContact CD2-CG2 4.19Å; R2692-I2696 HydrophobicContact CG-CD1 4.07Å; R2692-I2696 HydrophobicContact CG-CG1 4.43Å; R2692-I2696 WeakPolarHBondContact O-CG1 3.29Å; R2692-I2696 PolarHBondContact O-N 3.02Å; L2693-I2696 PolarHBondContact O-N 3.07Å; V2694-I2696 PolarHBondContact O-N 2.87Å; I2696-I2698 PolarHBondContact O-N 3.26Å; I2696-N2699 PolarHBondContact O-N 3.13Å; I2696-Q2700 HydrophobicContact CG2-CG 4.44Å; I2696-Q2700 WeakPolarHBondContact O-CB 3.45Å; I2696-Q2700 VanDerWaalsContact O-CG 3.28Å; I2696-Q2700 WeakPolarHBondContact O-CG 3.4Å; I2696-Q2700 PolarHBondContact O-N 3.06Å; I2696-Q2700 VanDerWaalsContact O-N 3.08Å |
| 2697 | L | 89.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | -179.4 | -75.9 | 172.2 | 0 | 0 | 0 | 112.9 | L2617 L2620 L2626 F2635 L2636 L2693 V2694 S2695 N2699 Q2700 L2701 | L2617-L2697 HydrophobicContact CD2-CD2 4.35Å; L2620-L2697 HydrophobicContact CD1-CD2 3.94Å; L2626-L2697 HydrophobicContact CD1-CD2 3.89Å; L2626-L2697 HydrophobicContact CD2-CD2 3.95Å; L2626-L2697 HydrophobicContact CG-CD2 4.4Å; F2635-L2697 HydrophobicContact CD1-CD1 4.32Å; F2635-L2697 HydrophobicContact CE1-CD1 4.12Å; L2636-L2697 HydrophobicContact CD1-CD1 4.26Å; L2636-L2697 HydrophobicContact CD2-CD1 3.79Å; L2636-L2697 HydrophobicContact CG-CD1 4.26Å; L2693-L2697 HydrophobicContact CD1-CD1 4.41Å; L2693-L2697 HydrophobicContact CD1-CG 4.48Å; L2693-L2697 HydrophobicContact CG-CD1 4.22Å; L2693-L2697 WeakPolarHBondContact O-CG 3.36Å; L2693-L2697 PolarHBondContact O-N 3.05Å; V2694-L2697 PolarHBondContact O-N 3.03Å; S2695-L2697 PolarHBondContact O-N 3.44Å; L2697-N2699 VanDerWaalsContact C-N 3.32Å; L2697-N2699 PolarHBondContact O-N 3.35Å; L2697-Q2700 PolarHBondContact O-N 2.75Å; L2697-L2701 PolarHBondContact O-N 3.38Å; L2697-L2701 VanDerWaalsContact O-N 3.15Å |
| 2698 | I | 89.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 176.6 | -68.5 | 168.2 | 0 | 0 | 0 | 110.7 | V2694 S2695 I2696 K2713 L2716 L2717 L2755 F2829 | V2694-I2698 HydrophobicContact CG1-CD1 3.65Å; V2694-I2698 HydrophobicContact CG1-CG1 4.39Å; V2694-I2698 VanDerWaalsContact O-CG1 3.31Å; V2694-I2698 WeakPolarHBondContact O-CG1 3.25Å; V2694-I2698 PolarHBondContact O-N 3.21Å; S2695-I2698 PolarHBondContact O-N 2.92Å; I2696-I2698 PolarHBondContact O-N 3.26Å; I2698-K2713 HydrophobicContact CG2-CB 4.19Å; I2698-K2713 WeakPolarHBondContact O-CD 3.35Å; I2698-K2713 WeakPolarHBondContact O-CE 3.27Å; I2698-K2713 VanDerWaalsContact O-CG 3.29Å; I2698-K2713 WeakPolarHBondContact O-CG 3.31Å; I2698-L2716 HydrophobicContact CG1-CD2 4.1Å; I2698-L2716 HydrophobicContact CG1-CG 4.31Å; I2698-L2717 HydrophobicContact CD1-CB 3.98Å; I2698-L2717 HydrophobicContact CD1-CD1 3.8Å; I2698-L2717 HydrophobicContact CD1-CG 4.46Å; I2698-L2755 HydrophobicContact CB-CD2 4.44Å; I2698-L2755 HydrophobicContact CD1-CD1 4.45Å; I2698-L2755 HydrophobicContact CD1-CD2 4.17Å; I2698-L2755 HydrophobicContact CG2-CD2 4.35Å; I2698-F2829 HydrophobicContact CG2-CE2 4.19Å; I2698-F2829 HydrophobicContact CG2-CZ 3.99Å |
| 2699 | N | 84.2 | Confident | 74.9 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.214 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.6 | -36.7 | -179.3 | -76.8 | -43 | 0 | 0 | 0 | 112.8 | S2695 I2696 L2697 K2713 S2758 | S2695-N2699 WeakPolarHBondContact O-CB 3.35Å; S2695-N2699 PolarHBondContact O-N 3.28Å; S2695-N2699 PolarHBondContact O-ND2 3.18Å; S2695-N2699 PolarHBondContact OG-ND2 3.44Å; I2696-N2699 PolarHBondContact O-N 3.13Å; L2697-N2699 VanDerWaalsContact C-N 3.32Å; L2697-N2699 PolarHBondContact O-N 3.35Å; N2699-K2713 WeakPolarHBondContact O-CE 3.34Å; N2699-K2713 PolarHBondContact O-NZ 3.25Å; N2699-S2758 VanDerWaalsContact ND2-CB 3.29Å; N2699-S2758 WeakPolarHBondContact ND2-CB 3.32Å; N2699-S2758 PolarHBondContact ND2-OG 3.14Å; N2699-S2758 PolarHBondContact OD1-OG 2.95Å |
| 2700 | Q | 80.3 | Confident | 73.1 | Confident | 54.3333 Ų | 54.3333 | 60.5 Ų | 60.5 | 25% | 0.254 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.1 | -34.4 | -179.8 | -72.6 | -71.4 | -9.4 | 0 | 0 | 114 | L2617 I2696 L2697 G2702 E2703 | L2617-Q2700 HydrophobicContact CD1-CG 3.55Å; L2617-Q2700 VanDerWaalsContact CD1-NE2 3.25Å; L2617-Q2700 HydrophobicContact CD2-CB 4.41Å; L2617-Q2700 HydrophobicContact CD2-CG 3.9Å; L2617-Q2700 HydrophobicContact CG-CG 4.38Å; I2696-Q2700 HydrophobicContact CG2-CG 4.44Å; I2696-Q2700 WeakPolarHBondContact O-CB 3.45Å; I2696-Q2700 VanDerWaalsContact O-CG 3.28Å; I2696-Q2700 WeakPolarHBondContact O-CG 3.4Å; I2696-Q2700 PolarHBondContact O-N 3.06Å; I2696-Q2700 VanDerWaalsContact O-N 3.08Å; L2697-Q2700 PolarHBondContact O-N 2.75Å; Q2700-G2702 PolarHBondContact O-N 3.14Å; Q2700-E2703 PolarHBondContact O-N 3.16Å; Q2700-E2703 VanDerWaalsContact O-N 3.15Å; Q2700-E2703 VanDerWaalsContact OE1-CD 3.26Å; Q2700-E2703 PolarHBondContact OE1-OE2 2.82Å |
| 2701 | L | 72.6 | Confident | 72.1 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -8.7 | -176.8 | -137.7 | 96.8 | 0 | 0 | 0 | 115 | L2697 A2712 K2713 L2716 | L2697-L2701 PolarHBondContact O-N 3.38Å; L2697-L2701 VanDerWaalsContact O-N 3.15Å; L2701-A2712 HydrophobicContact CD2-CB 3.85Å; L2701-A2712 HydrophobicContact CG-CB 4.24Å; L2701-K2713 HydrophobicContact CB-CG 4.49Å; L2701-L2716 HydrophobicContact CD1-CD2 3.17Å; L2701-L2716 HydrophobicContact CD1-CG 4.32Å; L2701-L2716 HydrophobicContact CD2-CB 4.03Å; L2701-L2716 HydrophobicContact CD2-CD2 3.92Å |
| 2702 | G | 60.6 | Low | 71.4 | Confident | 42.6667 Ų | 42.6667 | 63.6 Ų | 63.6 | 44% | 0.44 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 10.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q2700 T2704 K2713 | Q2700-G2702 PolarHBondContact O-N 3.14Å; G2702-T2704 VanDerWaalsContact C-N 3.29Å; G2702-K2713 VanDerWaalsContact CA-CE 3.46Å; G2702-K2713 VanDerWaalsContact N-CE 3.34Å |
| 2703 | E | 53.9 | Low | 71.1 | Confident | 139.667 Ų | 139.667 | 64.8 Ų | 64.8 | 65% | 0.653 | 36% | 0.358 | S | S | * | . | trans | -81.9 | -12 | 171.4 | -73 | -173.8 | -178 | 0 | 0 | 112.8 | Q2700 P2705 | Q2700-E2703 PolarHBondContact O-N 3.16Å; Q2700-E2703 VanDerWaalsContact O-N 3.15Å; Q2700-E2703 VanDerWaalsContact OE1-CD 3.26Å; Q2700-E2703 PolarHBondContact OE1-OE2 2.82Å; E2703-P2705 WeakPolarHBondContact O-CD 3.23Å | ||
| 2704 | T | 51.6 | Low | 70.7 | Confident | 96 Ų | 96 | 65 Ų | 65 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | trans | -73.5 | 110.6 | 179.7 | -31.1 | 0 | 0 | 0 | 0 | 110.4 | G2702 Q2706 G2707 | G2702-T2704 VanDerWaalsContact C-N 3.29Å; T2704-Q2706 PolarHBondContact O-N 3.29Å; T2704-Q2706 VanDerWaalsContact O-N 3.1Å; T2704-G2707 PolarHBondContact O-N 3.07Å | ||
| 2705 | P | 47.4 | Very low | 70.4 | Confident | 130.667 Ų | 130.667 | 65.9 Ų | 65.9 | 85% | 0.848 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -2.3 | -171.5 | 27.7 | -33.4 | 0 | 0 | 0 | 114.5 | E2703 | E2703-P2705 WeakPolarHBondContact O-CD 3.23Š|
| 2706 | Q | 43.1 | Very low | 70.3 | Confident | 176.333 Ų | 176.333 | 65.7 Ų | 65.7 | 82% | 0.824 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 15.7 | -179.1 | -67.1 | -174.2 | -24.8 | 0 | 0 | 113.4 | T2704 E2708 | T2704-Q2706 PolarHBondContact O-N 3.29Å; T2704-Q2706 VanDerWaalsContact O-N 3.1Å; Q2706-E2708 PolarHBondContact O-N 3.26Å; Q2706-E2708 VanDerWaalsContact O-N 3.13Å |
| 2707 | G | 47.6 | Very low | 70.4 | Confident | 49 Ų | 49 | 65 Ų | 65 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | trans | -65.1 | 112.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T2704 Y2709 | T2704-G2707 PolarHBondContact O-N 3.07Å; G2707-Y2709 PolarHBondContact O-N 3.13Å | ||
| 2708 | E | 49.3 | Very low | 70.5 | Confident | 164.333 Ų | 164.333 | 64.9 Ų | 64.9 | 77% | 0.768 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -52.9 | -10.5 | 174.3 | -65.9 | 176.1 | 156 | 0 | 0 | 114.6 | Q2706 P2710 | Q2706-E2708 PolarHBondContact O-N 3.26Å; Q2706-E2708 VanDerWaalsContact O-N 3.13Å; E2708-P2710 WeakPolarHBondContact O-CD 3.48Å |
| 2709 | Y | 53.6 | Low | 70.6 | Confident | 165 Ų | 165 | 66 Ų | 66 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | trans | -121.7 | 91.2 | -175.3 | -57.3 | -81.8 | 0 | 0 | 0 | 111 | G2707 N2711 A2712 | G2707-Y2709 PolarHBondContact O-N 3.13Å; Y2709-N2711 PolarHBondContact O-N 3.13Å; Y2709-A2712 PolarHBondContact O-N 3.18Å; Y2709-A2712 VanDerWaalsContact O-N 3.11Å | ||
| 2710 | P | 56.8 | Low | 71.1 | Confident | 122.667 Ų | 122.667 | 64.1 Ų | 64.1 | 80% | 0.797 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -4.6 | -178 | 21.1 | -32.3 | 0 | 0 | 0 | 115.1 | E2708 | E2708-P2710 WeakPolarHBondContact O-CD 3.48Š|
| 2711 | N | 75.1 | Confident | 71.9 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 23% | 0.225 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 21.6 | -179.6 | -68.4 | -45.1 | 0 | 0 | 0 | 113.7 | S2565 T2567 Y2709 K2713 V2714 A2715 | S2565-N2711 WeakPolarHBondContact CB-ND2 2.9Å; S2565-N2711 PolarHBondContact O-ND2 3.29Å; S2565-N2711 PolarHBondContact OG-ND2 3.47Å; S2565-N2711 VanDerWaalsContact OG-ND2 3.09Å; T2567-N2711 HydrophobicContact CG2-CB 4.04Å; Y2709-N2711 PolarHBondContact O-N 3.13Å; N2711-K2713 VanDerWaalsContact C-N 3.31Å; N2711-K2713 PolarHBondContact O-N 3.12Å; N2711-V2714 HydrophobicContact CB-CB 4.33Å; N2711-V2714 HydrophobicContact CB-CG2 4.34Å; N2711-V2714 WeakPolarHBondContact O-CB 3.33Å; N2711-V2714 PolarHBondContact O-N 3.12Å; N2711-A2715 WeakPolarHBondContact O-CB 3.22Å; N2711-A2715 PolarHBondContact O-N 3.25Å |
| 2712 | A | 81.3 | Confident | 72.9 | Confident | 23.6667 Ų | 23.6667 | 59.8 Ų | 59.8 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.5 | -41.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2701 Y2709 V2714 A2715 L2716 | L2701-A2712 HydrophobicContact CD2-CB 3.85Å; L2701-A2712 HydrophobicContact CG-CB 4.24Å; Y2709-A2712 PolarHBondContact O-N 3.18Å; Y2709-A2712 VanDerWaalsContact O-N 3.11Å; A2712-V2714 VanDerWaalsContact C-N 3.32Å; A2712-V2714 PolarHBondContact O-N 3.31Å; A2712-A2715 PolarHBondContact O-N 3.02Å; A2712-L2716 WeakPolarHBondContact O-CB 3.47Å; A2712-L2716 PolarHBondContact O-N 3.04Å |
| 2713 | K | 86.2 | Confident | 74.6 | Confident | 54.6667 Ų | 54.6667 | 57.7 Ų | 57.7 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 175.1 | -65.1 | -167.2 | 159.4 | 173.7 | 0 | 112.2 | I2698 N2699 L2701 G2702 N2711 L2716 L2717 F2829 | I2698-K2713 HydrophobicContact CG2-CB 4.19Å; I2698-K2713 WeakPolarHBondContact O-CD 3.35Å; I2698-K2713 WeakPolarHBondContact O-CE 3.27Å; I2698-K2713 VanDerWaalsContact O-CG 3.29Å; I2698-K2713 WeakPolarHBondContact O-CG 3.31Å; N2699-K2713 WeakPolarHBondContact O-CE 3.34Å; N2699-K2713 PolarHBondContact O-NZ 3.25Å; L2701-K2713 HydrophobicContact CB-CG 4.49Å; G2702-K2713 VanDerWaalsContact CA-CE 3.46Å; G2702-K2713 VanDerWaalsContact N-CE 3.34Å; N2711-K2713 VanDerWaalsContact C-N 3.31Å; N2711-K2713 PolarHBondContact O-N 3.12Å; K2713-L2716 PolarHBondContact O-N 2.96Å; K2713-L2717 WeakPolarHBondContact O-CB 3.47Å; K2713-L2717 PolarHBondContact O-N 3.34Å; K2713-F2829 HydrophobicContact CB-CD2 4.2Å; K2713-F2829 HydrophobicContact CB-CE2 4.25Å |
| 2714 | V | 86.6 | Confident | 76.6 | Confident | 5.66667 Ų | 5.66667 | 51.1 Ų | 51.1 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.3 | -41.8 | -178.1 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | T2567 N2711 A2712 L2717 N2718 F2829 I2836 | T2567-V2714 HydrophobicContact CG2-CB 4.25Å; T2567-V2714 HydrophobicContact CG2-CG1 3.89Å; T2567-V2714 VanDerWaalsContact OG1-CG1 3.23Å; T2567-V2714 WeakPolarHBondContact OG1-CG1 3.31Å; N2711-V2714 HydrophobicContact CB-CB 4.33Å; N2711-V2714 HydrophobicContact CB-CG2 4.34Å; N2711-V2714 WeakPolarHBondContact O-CB 3.33Å; N2711-V2714 PolarHBondContact O-N 3.12Å; A2712-V2714 VanDerWaalsContact C-N 3.32Å; A2712-V2714 PolarHBondContact O-N 3.31Å; V2714-L2717 PolarHBondContact O-N 3.16Å; V2714-N2718 WeakPolarHBondContact O-CB 3.23Å; V2714-N2718 PolarHBondContact O-N 3.25Å; V2714-N2718 PolarHBondContact O-ND2 3.26Å; V2714-F2829 HydrophobicContact CG2-CD2 3.91Å; V2714-F2829 HydrophobicContact CG2-CE2 4.49Å; V2714-I2836 HydrophobicContact CG1-CD1 3.81Å |
| 2715 | A | 87.2 | Confident | 78.7 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T2567 A2570 I2629 N2711 A2712 N2718 K2719 | T2567-A2715 HydrophobicContact CG2-CB 4.1Å; T2567-A2715 WeakPolarHBondContact OG1-CA 3.21Å; T2567-A2715 PolarHBondContact OG1-N 3.14Å; A2570-A2715 HydrophobicContact CB-CB 4.5Å; I2629-A2715 HydrophobicContact CD1-CB 3.84Å; N2711-A2715 WeakPolarHBondContact O-CB 3.22Å; N2711-A2715 PolarHBondContact O-N 3.25Å; A2712-A2715 PolarHBondContact O-N 3.02Å; A2715-N2718 PolarHBondContact O-N 3.11Å; A2715-K2719 WeakPolarHBondContact O-CG 3.39Å; A2715-K2719 PolarHBondContact O-N 3.19Å |
| 2716 | L | 89.7 | Confident | 80.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.6 | -178.4 | 62.9 | 0 | 0 | 0 | 111.3 | I2629 L2636 I2698 L2701 A2712 K2713 N2718 K2719 V2720 | I2629-L2716 HydrophobicContact CD1-CB 4.15Å; I2629-L2716 HydrophobicContact CG1-CB 4.34Å; I2629-L2716 HydrophobicContact CG1-CD1 4.17Å; L2636-L2716 HydrophobicContact CD1-CD1 4.17Å; L2636-L2716 HydrophobicContact CD1-CD2 4.24Å; L2636-L2716 HydrophobicContact CD1-CG 4.46Å; I2698-L2716 HydrophobicContact CG1-CD2 4.1Å; I2698-L2716 HydrophobicContact CG1-CG 4.31Å; L2701-L2716 HydrophobicContact CD1-CD2 3.17Å; L2701-L2716 HydrophobicContact CD1-CG 4.32Å; L2701-L2716 HydrophobicContact CD2-CB 4.03Å; L2701-L2716 HydrophobicContact CD2-CD2 3.92Å; A2712-L2716 WeakPolarHBondContact O-CB 3.47Å; A2712-L2716 PolarHBondContact O-N 3.04Å; K2713-L2716 PolarHBondContact O-N 2.96Å; L2716-N2718 VanDerWaalsContact C-N 3.34Å; L2716-N2718 PolarHBondContact O-N 3.13Å; L2716-K2719 PolarHBondContact O-N 2.99Å; L2716-K2719 VanDerWaalsContact O-N 3.16Å; L2716-V2720 HydrophobicContact CD1-CG2 4.08Å; L2716-V2720 HydrophobicContact CG-CG2 4.28Å; L2716-V2720 VanDerWaalsContact O-CG2 3.29Å; L2716-V2720 WeakPolarHBondContact O-CG2 3.23Å; L2716-V2720 PolarHBondContact O-N 3.13Å |
| 2717 | L | 92.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.8 | -50.9 | 175.6 | 174.3 | 60.4 | 0 | 0 | 0 | 111.3 | I2698 K2713 V2714 K2719 V2720 L2721 L2755 F2829 L2833 I2836 | I2698-L2717 HydrophobicContact CD1-CB 3.98Å; I2698-L2717 HydrophobicContact CD1-CD1 3.8Å; I2698-L2717 HydrophobicContact CD1-CG 4.46Å; K2713-L2717 WeakPolarHBondContact O-CB 3.47Å; K2713-L2717 PolarHBondContact O-N 3.34Å; V2714-L2717 PolarHBondContact O-N 3.16Å; L2717-K2719 VanDerWaalsContact C-N 3.33Å; L2717-K2719 PolarHBondContact O-N 3.37Å; L2717-V2720 PolarHBondContact O-N 3.11Å; L2717-L2721 HydrophobicContact CD1-CD1 3.77Å; L2717-L2721 HydrophobicContact CD1-CD2 4.41Å; L2717-L2721 HydrophobicContact CD1-CG 3.87Å; L2717-L2721 HydrophobicContact CG-CD1 3.95Å; L2717-L2721 HydrophobicContact CG-CG 4.4Å; L2717-L2721 WeakPolarHBondContact O-CB 3.29Å; L2717-L2721 VanDerWaalsContact O-CG 3.31Å; L2717-L2721 WeakPolarHBondContact O-CG 3.36Å; L2717-L2721 PolarHBondContact O-N 3.36Å; L2717-L2755 HydrophobicContact CD1-CD1 3.5Å; L2717-L2755 VanDerWaalsContact CD1-CD1 3.47Å; L2717-L2755 HydrophobicContact CD2-CD1 4.28Å; L2717-F2829 HydrophobicContact CD2-CE2 3.86Å; L2717-F2829 HydrophobicContact CD2-CZ 3.9Å; L2717-L2833 HydrophobicContact CD2-CD1 3.62Å; L2717-I2836 HydrophobicContact CD2-CD1 3.83Å; L2717-I2836 HydrophobicContact CD2-CG2 4.28Å; L2717-I2836 HydrophobicContact CG-CG2 4.34Å |
| 2718 | N | 92.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -45.9 | 177.6 | -83.9 | -71.3 | 0 | 0 | 0 | 111.2 | T2567 A2570 L2571 V2714 A2715 L2716 V2720 L2721 G2722 I2836 | T2567-N2718 PolarHBondContact OG1-ND2 3.44Å; A2570-N2718 HydrophobicContact CB-CB 3.98Å; L2571-N2718 VanDerWaalsContact CA-O 3.32Å; L2571-N2718 WeakPolarHBondContact CA-O 3.46Å; L2571-N2718 HydrophobicContact CB-CB 4.02Å; V2714-N2718 WeakPolarHBondContact O-CB 3.23Å; V2714-N2718 PolarHBondContact O-N 3.25Å; V2714-N2718 PolarHBondContact O-ND2 3.26Å; A2715-N2718 PolarHBondContact O-N 3.11Å; L2716-N2718 VanDerWaalsContact C-N 3.34Å; L2716-N2718 PolarHBondContact O-N 3.13Å; N2718-V2720 PolarHBondContact O-N 3.39Å; N2718-L2721 PolarHBondContact O-N 3.07Å; N2718-G2722 PolarHBondContact O-N 3.31Å; N2718-I2836 WeakPolarHBondContact OD1-CG2 3.28Å |
| 2719 | K | 91.9 | Very high | 87.5 | Confident | 22.6667 Ų | 22.6667 | 23 Ų | 23 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 176 | -75.8 | -167.1 | 172 | -155.8 | 0 | 112.3 | A2570 G2574 Q2577 I2629 N2630 T2633 A2715 L2716 L2717 G2722 L2723 | A2570-K2719 HydrophobicContact CB-CG 3.97Å; A2570-K2719 WeakPolarHBondContact O-CA 3.21Å; A2570-K2719 WeakPolarHBondContact O-CG 3.42Å; G2574-K2719 WeakPolarHBondContact CA-O 3.24Å; Q2577-K2719 VanDerWaalsContact OE1-NZ 3.15Å; I2629-K2719 HydrophobicContact CG1-CD 4.49Å; N2630-K2719 PolarHBondContact OD1-NZ 3.19Å; N2630-K2719 VanDerWaalsContact OD1-NZ 3.07Å; T2633-K2719 HydrophobicContact CG2-CB 4.25Å; T2633-K2719 HydrophobicContact CG2-CD 3.97Å; T2633-K2719 WeakPolarHBondContact OG1-CD 3.39Å; A2715-K2719 WeakPolarHBondContact O-CG 3.39Å; A2715-K2719 PolarHBondContact O-N 3.19Å; L2716-K2719 PolarHBondContact O-N 2.99Å; L2716-K2719 VanDerWaalsContact O-N 3.16Å; L2717-K2719 VanDerWaalsContact C-N 3.33Å; L2717-K2719 PolarHBondContact O-N 3.37Å; K2719-G2722 CarbonylContact O-C 3.36Å; K2719-G2722 WeakPolarHBondContact O-CA 3.41Å; K2719-G2722 PolarHBondContact O-N 3.13Å; K2719-L2723 VanDerWaalsContact O-CG 3.28Å; K2719-L2723 WeakPolarHBondContact O-CG 3.36Å; K2719-L2723 PolarHBondContact O-N 3.44Å |
| 2720 | V | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67 | -42.3 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L2636 V2694 L2716 L2717 N2718 G2722 L2723 I2724 | L2636-V2720 HydrophobicContact CB-CG2 4.23Å; L2636-V2720 HydrophobicContact CD1-CG2 3.3Å; L2636-V2720 HydrophobicContact CG-CG2 4.34Å; V2694-V2720 HydrophobicContact CG1-CB 4.44Å; V2694-V2720 HydrophobicContact CG1-CG1 3.79Å; V2694-V2720 HydrophobicContact CG1-CG2 4.47Å; V2694-V2720 HydrophobicContact CG2-CG1 4.14Å; L2716-V2720 HydrophobicContact CD1-CG2 4.08Å; L2716-V2720 HydrophobicContact CG-CG2 4.28Å; L2716-V2720 VanDerWaalsContact O-CG2 3.29Å; L2716-V2720 WeakPolarHBondContact O-CG2 3.23Å; L2716-V2720 PolarHBondContact O-N 3.13Å; L2717-V2720 PolarHBondContact O-N 3.11Å; N2718-V2720 PolarHBondContact O-N 3.39Å; V2720-G2722 VanDerWaalsContact C-N 3.28Å; V2720-G2722 PolarHBondContact O-N 3.12Å; V2720-L2723 WeakPolarHBondContact O-CB 3.22Å; V2720-L2723 PolarHBondContact O-N 3.06Å; V2720-I2724 HydrophobicContact CG1-CD1 4.17Å; V2720-I2724 WeakPolarHBondContact O-CG1 3.38Å; V2720-I2724 PolarHBondContact O-N 3.07Å |
| 2721 | L | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 174.2 | -67 | 178.4 | 0 | 0 | 0 | 111.4 | L2717 N2718 I2724 A2725 L2748 L2751 I2836 F2837 L2840 | L2717-L2721 HydrophobicContact CD1-CD1 3.77Å; L2717-L2721 HydrophobicContact CD1-CD2 4.41Å; L2717-L2721 HydrophobicContact CD1-CG 3.87Å; L2717-L2721 HydrophobicContact CG-CD1 3.95Å; L2717-L2721 HydrophobicContact CG-CG 4.4Å; L2717-L2721 WeakPolarHBondContact O-CB 3.29Å; L2717-L2721 VanDerWaalsContact O-CG 3.31Å; L2717-L2721 WeakPolarHBondContact O-CG 3.36Å; L2717-L2721 PolarHBondContact O-N 3.36Å; N2718-L2721 PolarHBondContact O-N 3.07Å; L2721-I2724 HydrophobicContact CD2-CD1 4.48Å; L2721-I2724 PolarHBondContact O-N 3.17Å; L2721-A2725 WeakPolarHBondContact O-CB 3.41Å; L2721-A2725 PolarHBondContact O-N 3.03Å; L2721-L2748 HydrophobicContact CD2-CD2 3.94Å; L2721-L2751 HydrophobicContact CD2-CD2 3.57Å; L2721-I2836 HydrophobicContact CD1-CG2 3.49Å; L2721-I2836 VanDerWaalsContact CD1-CG2 3.46Å; L2721-F2837 HydrophobicContact CD1-CD2 4.1Å; L2721-F2837 HydrophobicContact CD1-CE2 3.84Å; L2721-F2837 HydrophobicContact CD1-CZ 4.21Å; L2721-F2837 HydrophobicContact CD2-CE1 4.31Å; L2721-F2837 HydrophobicContact CD2-CE2 4.34Å; L2721-F2837 HydrophobicContact CD2-CZ 3.89Å; L2721-L2840 HydrophobicContact CB-CD1 4.15Å; L2721-L2840 HydrophobicContact CB-CD2 4.19Å; L2721-L2840 HydrophobicContact CD1-CD2 4.24Å; L2721-L2840 HydrophobicContact CD2-CD2 3.87Å; L2721-L2840 HydrophobicContact CG-CD2 4.31Å; L2721-L2840 WeakPolarHBondContact O-CD1 3.35Å |
| 2722 | G | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2571 G2574 C2575 N2718 K2719 V2720 I2724 A2725 G2726 | L2571-G2722 VanDerWaalsContact O-CA 3.25Å; L2571-G2722 WeakPolarHBondContact O-CA 3.46Å; G2574-G2722 CarbonylContact C-O 3.57Å; G2574-G2722 CarbonylContact O-C 3.49Å; C2575-G2722 VanDerWaalsContact CA-O 3.25Å; C2575-G2722 WeakPolarHBondContact CA-O 3.33Å; C2575-G2722 PolarHBondContact N-O 3.15Å; C2575-G2722 PolarHBondContact SG-O 3.25Å; N2718-G2722 PolarHBondContact O-N 3.31Å; K2719-G2722 CarbonylContact O-C 3.36Å; K2719-G2722 WeakPolarHBondContact O-CA 3.41Å; K2719-G2722 PolarHBondContact O-N 3.13Å; V2720-G2722 VanDerWaalsContact C-N 3.28Å; V2720-G2722 PolarHBondContact O-N 3.12Å; G2722-I2724 VanDerWaalsContact C-N 3.34Å; G2722-I2724 PolarHBondContact O-N 3.24Å; G2722-A2725 PolarHBondContact O-N 2.94Å; G2722-G2726 PolarHBondContact O-N 3.05Å |
| 2723 | L | 95.1 | Very high | 91.4 | Very high | 0.333333 Ų | 0.333333 | 12.6 Ų | 12.6 | 0% | 0.002 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.5 | -70.3 | 170.7 | 0 | 0 | 0 | 111.7 | G2574 Q2577 A2578 T2633 L2636 R2637 K2719 V2720 A2725 G2726 T2727 | G2574-L2723 WeakPolarHBondContact O-CA 3.47Å; G2574-L2723 WeakPolarHBondContact O-CD2 3.4Å; G2574-L2723 PolarHBondContact O-N 3Å; Q2577-L2723 HydrophobicContact CB-CD2 4.09Å; A2578-L2723 HydrophobicContact CB-CD2 4.4Å; T2633-L2723 HydrophobicContact CG2-CD1 3.84Å; T2633-L2723 HydrophobicContact CG2-CG 4.41Å; T2633-L2723 WeakPolarHBondContact O-CD1 3.32Å; L2636-L2723 HydrophobicContact CB-CD1 4.41Å; R2637-L2723 HydrophobicContact CB-CD1 3.89Å; R2637-L2723 HydrophobicContact CB-CD2 3.78Å; R2637-L2723 HydrophobicContact CB-CG 4.44Å; R2637-L2723 HydrophobicContact CG-CD2 3.89Å; K2719-L2723 VanDerWaalsContact O-CG 3.28Å; K2719-L2723 WeakPolarHBondContact O-CG 3.36Å; K2719-L2723 PolarHBondContact O-N 3.44Å; V2720-L2723 WeakPolarHBondContact O-CB 3.22Å; V2720-L2723 PolarHBondContact O-N 3.06Å; L2723-A2725 VanDerWaalsContact C-N 3.34Å; L2723-A2725 PolarHBondContact O-N 2.81Å; L2723-G2726 PolarHBondContact O-N 3.28Å; L2723-T2727 WeakPolarHBondContact O-CB 3.34Å; L2723-T2727 PolarHBondContact O-N 3.11Å; L2723-T2727 PolarHBondContact O-OG1 3.16Å |
| 2724 | I | 96.5 | Very high | 91.2 | Very high | 0.333333 Ų | 0.333333 | 13.9 Ų | 13.9 | 0% | 0.002 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 176.9 | -63.6 | 164.8 | 0 | 0 | 0 | 110.3 | T2640 V2720 L2721 G2722 T2727 L2728 F2744 L2747 L2748 L2751 | T2640-I2724 HydrophobicContact CG2-CG1 4.07Å; V2720-I2724 HydrophobicContact CG1-CD1 4.17Å; V2720-I2724 WeakPolarHBondContact O-CG1 3.38Å; V2720-I2724 PolarHBondContact O-N 3.07Å; L2721-I2724 HydrophobicContact CD2-CD1 4.48Å; L2721-I2724 PolarHBondContact O-N 3.17Å; G2722-I2724 VanDerWaalsContact C-N 3.34Å; G2722-I2724 PolarHBondContact O-N 3.24Å; I2724-T2727 PolarHBondContact O-N 2.92Å; I2724-L2728 WeakPolarHBondContact O-CB 3.24Å; I2724-L2728 PolarHBondContact O-N 3.22Å; I2724-F2744 HydrophobicContact CG2-CD1 4.18Å; I2724-L2747 HydrophobicContact CD1-CD2 3.68Å; I2724-L2747 HydrophobicContact CD1-CG 4.05Å; I2724-L2747 HydrophobicContact CG1-CD2 3.85Å; I2724-L2747 HydrophobicContact CG2-CD2 4.09Å; I2724-L2748 HydrophobicContact CB-CD2 4.43Å; I2724-L2748 HydrophobicContact CD1-CD2 4.19Å; I2724-L2748 HydrophobicContact CG2-CD2 3.83Å; I2724-L2748 HydrophobicContact CG2-CG 4.25Å; I2724-L2751 HydrophobicContact CD1-CD2 4.23Å |
| 2725 | A | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2721 G2722 L2723 L2728 L2729 L2840 L2844 | L2721-A2725 WeakPolarHBondContact O-CB 3.41Å; L2721-A2725 PolarHBondContact O-N 3.03Å; G2722-A2725 PolarHBondContact O-N 2.94Å; L2723-A2725 VanDerWaalsContact C-N 3.34Å; L2723-A2725 PolarHBondContact O-N 2.81Å; A2725-L2728 WeakPolarHBondContact O-CB 3.42Å; A2725-L2728 PolarHBondContact O-N 3.22Å; A2725-L2729 WeakPolarHBondContact O-CB 3.31Å; A2725-L2729 VanDerWaalsContact O-CG 3.32Å; A2725-L2729 WeakPolarHBondContact O-CG 3.34Å; A2725-L2729 PolarHBondContact O-N 2.99Å; A2725-L2840 HydrophobicContact CB-CD1 3.7Å; A2725-L2844 HydrophobicContact CB-CD1 4.32Å; A2725-L2844 HydrophobicContact CB-CD2 3.89Å; A2725-L2844 HydrophobicContact CB-CG 4.17Å |
| 2726 | G | 92.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G2722 L2723 L2728 L2729 Q2730 | G2722-G2726 PolarHBondContact O-N 3.05Å; L2723-G2726 PolarHBondContact O-N 3.28Å; G2726-L2728 VanDerWaalsContact C-N 3.33Å; G2726-L2728 PolarHBondContact O-N 2.86Å; G2726-L2729 PolarHBondContact O-N 3.23Å; G2726-Q2730 VanDerWaalsContact O-CB 3.27Å; G2726-Q2730 WeakPolarHBondContact O-CB 3.38Å; G2726-Q2730 PolarHBondContact O-N 3.39Å |
| 2727 | T | 92.9 | Very high | 90 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.1 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | I2644 L2723 I2724 Q2730 E2731 F2744 | I2644-T2727 HydrophobicContact CD1-CG2 3.67Å; L2723-T2727 WeakPolarHBondContact O-CB 3.34Å; L2723-T2727 PolarHBondContact O-N 3.11Å; L2723-T2727 PolarHBondContact O-OG1 3.16Å; I2724-T2727 PolarHBondContact O-N 2.92Å; T2727-Q2730 PolarHBondContact O-N 3.21Å; T2727-E2731 HydrophobicContact CG2-CG 4.34Å; T2727-E2731 VanDerWaalsContact O-CB 3.26Å; T2727-E2731 WeakPolarHBondContact O-CB 3.41Å; T2727-E2731 VanDerWaalsContact O-CG 3.24Å; T2727-E2731 WeakPolarHBondContact O-CG 3.48Å; T2727-E2731 PolarHBondContact O-N 3.4Å; T2727-F2744 HydrophobicContact CG2-CE1 4.26Å; T2727-F2744 HydrophobicContact CG2-CZ 4.48Å |
| 2728 | L | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -52.3 | 177.2 | -171.1 | 166.1 | 0 | 0 | 0 | 111.7 | I2724 A2725 G2726 Q2730 E2731 H2732 F2739 F2744 L2844 A2849 F2852 | I2724-L2728 WeakPolarHBondContact O-CB 3.24Å; I2724-L2728 PolarHBondContact O-N 3.22Å; A2725-L2728 WeakPolarHBondContact O-CB 3.42Å; A2725-L2728 PolarHBondContact O-N 3.22Å; G2726-L2728 VanDerWaalsContact C-N 3.33Å; G2726-L2728 PolarHBondContact O-N 2.86Å; L2728-Q2730 VanDerWaalsContact C-N 3.31Å; L2728-Q2730 PolarHBondContact O-N 3.15Å; L2728-E2731 PolarHBondContact O-N 2.89Å; L2728-H2732 HydrophobicContact CD2-CB 4.48Å; L2728-H2732 VanDerWaalsContact O-CB 3.3Å; L2728-H2732 WeakPolarHBondContact O-CB 3.3Å; L2728-H2732 PolarHBondContact O-N 3.29Å; L2728-F2739 HydrophobicContact CD2-CE2 4.1Å; L2728-F2739 HydrophobicContact CD2-CZ 3.95Å; L2728-F2739 HydrophobicContact CG-CE2 4.13Å; L2728-F2739 HydrophobicContact CG-CZ 4.08Å; L2728-F2744 VanDerWaalsContact CA-CE1 3.41Å; L2728-F2744 HydrophobicContact CB-CD1 3.58Å; L2728-F2744 HydrophobicContact CB-CE1 3.56Å; L2728-F2744 HydrophobicContact CB-CG 4.11Å; L2728-F2744 HydrophobicContact CB-CZ 4.1Å; L2728-F2744 HydrophobicContact CD1-CB 3.71Å; L2728-F2744 HydrophobicContact CD1-CD1 3.94Å; L2728-F2744 HydrophobicContact CD1-CD2 4.4Å; L2728-F2744 HydrophobicContact CD1-CG 3.77Å; L2728-F2744 HydrophobicContact CG-CB 4.34Å; L2728-F2744 HydrophobicContact CG-CD1 3.87Å; L2728-F2744 HydrophobicContact CG-CD2 4.13Å; L2728-F2744 HydrophobicContact CG-CE1 4.14Å; L2728-F2744 HydrophobicContact CG-CE2 4.41Å; L2728-F2744 HydrophobicContact CG-CG 3.85Å; L2728-F2744 HydrophobicContact CG-CZ 4.41Å; L2728-L2844 HydrophobicContact CB-CD2 4.4Å; L2728-L2844 HydrophobicContact CD1-CD1 3.98Å; L2728-L2844 HydrophobicContact CD1-CD2 3.99Å; L2728-L2844 HydrophobicContact CD2-CD2 4.03Å; L2728-L2844 HydrophobicContact CG-CD2 4.38Å; L2728-A2849 HydrophobicContact CD2-CB 3.93Å; L2728-F2852 HydrophobicContact CD1-CD1 4.06Å; L2728-F2852 HydrophobicContact CD1-CD2 4.01Å; L2728-F2852 HydrophobicContact CD1-CE1 4.1Å; L2728-F2852 HydrophobicContact CD1-CE2 4.05Å; L2728-F2852 HydrophobicContact CD1-CG 4.03Å; L2728-F2852 HydrophobicContact CD1-CZ 4.1Å; L2728-F2852 HydrophobicContact CD2-CB 4.38Å; L2728-F2852 HydrophobicContact CD2-CG 4.44Å |
| 2729 | L | 91.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | -178.5 | -69.8 | 171.9 | 0 | 0 | 0 | 111.2 | F2500 Y2506 A2725 G2726 H2732 E2733 L2844 K2848 A2849 | F2500-L2729 HydrophobicContact CE1-CB 4.01Å; F2500-L2729 HydrophobicContact CZ-CB 4.02Å; F2500-L2729 HydrophobicContact CZ-CD1 4.2Å; Y2506-L2729 HydrophobicContact CE2-CD1 4.1Å; A2725-L2729 WeakPolarHBondContact O-CB 3.31Å; A2725-L2729 VanDerWaalsContact O-CG 3.32Å; A2725-L2729 WeakPolarHBondContact O-CG 3.34Å; A2725-L2729 PolarHBondContact O-N 2.99Å; G2726-L2729 PolarHBondContact O-N 3.23Å; L2729-H2732 PolarHBondContact O-N 2.94Å; L2729-E2733 VanDerWaalsContact O-CB 3.31Å; L2729-E2733 WeakPolarHBondContact O-CB 3.41Å; L2729-E2733 WeakPolarHBondContact O-CG 3.34Å; L2729-E2733 PolarHBondContact O-N 3.38Å; L2729-L2844 HydrophobicContact CD1-CD2 4.41Å; L2729-L2844 HydrophobicContact CD2-CD2 4.22Å; L2729-L2844 HydrophobicContact CG-CD2 4.06Å; L2729-K2848 HydrophobicContact CD2-CB 4.23Å; L2729-A2849 HydrophobicContact CD2-CB 4.1Å |
| 2730 | Q | 87.6 | Confident | 89.4 | Confident | 59.3333 Ų | 59.3333 | 39.3 Ų | 39.3 | 28% | 0.277 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 174.8 | -175.7 | 150.1 | 8.1 | 0 | 0 | 111.9 | H2579 G2726 T2727 L2728 H2732 E2733 V2734 | H2579-Q2730 VanDerWaalsContact CE1-CD 3.42Å; H2579-Q2730 PolarHBondContact CE1-OE1 3.26Å; G2726-Q2730 VanDerWaalsContact O-CB 3.27Å; G2726-Q2730 WeakPolarHBondContact O-CB 3.38Å; G2726-Q2730 PolarHBondContact O-N 3.39Å; T2727-Q2730 PolarHBondContact O-N 3.21Å; L2728-Q2730 VanDerWaalsContact C-N 3.31Å; L2728-Q2730 PolarHBondContact O-N 3.15Å; Q2730-H2732 VanDerWaalsContact C-N 3.29Å; Q2730-H2732 PolarHBondContact O-N 3.33Å; Q2730-E2733 PolarHBondContact O-N 2.94Å; Q2730-V2734 HydrophobicContact CG-CG2 4.29Å; Q2730-V2734 VanDerWaalsContact NE2-CG2 3.29Å; Q2730-V2734 WeakPolarHBondContact O-CB 3.44Å; Q2730-V2734 VanDerWaalsContact O-CG2 3.3Å; Q2730-V2734 WeakPolarHBondContact O-CG2 3.38Å; Q2730-V2734 PolarHBondContact O-N 3.34Å |
| 2731 | E | 87.8 | Confident | 89.4 | Confident | 19.6667 Ų | 19.6667 | 40.9 Ų | 40.9 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 179.8 | -100.6 | -32.4 | 106.3 | 0 | 0 | 111.8 | L2648 T2727 L2728 E2733 R2735 R2736 F2739 F2744 | L2648-E2731 HydrophobicContact CD1-CG 4.5Å; L2648-E2731 WeakPolarHBondContact CD1-OE2 3.46Å; T2727-E2731 HydrophobicContact CG2-CG 4.34Å; T2727-E2731 VanDerWaalsContact O-CB 3.26Å; T2727-E2731 WeakPolarHBondContact O-CB 3.41Å; T2727-E2731 VanDerWaalsContact O-CG 3.24Å; T2727-E2731 WeakPolarHBondContact O-CG 3.48Å; T2727-E2731 PolarHBondContact O-N 3.4Å; L2728-E2731 PolarHBondContact O-N 2.89Å; E2731-E2733 VanDerWaalsContact C-N 3.34Å; E2731-R2735 VanDerWaalsContact CD-CZ 3.42Å; E2731-R2735 CarbonylContact O-C 3.52Å; E2731-R2735 WeakPolarHBondContact O-CA 3.33Å; E2731-R2735 PolarHBondContact O-N 3.03Å; E2731-R2735 VanDerWaalsContact O-N 3.15Å; E2731-R2735 IonicContact OE1-CZ 3.14Å; E2731-R2735 IonicContact OE1-NE 3.32Å; E2731-R2735 PolarHBondContact OE1-NE 3.25Å; E2731-R2735 IonicContact OE1-NH1 3.35Å; E2731-R2735 PolarHBondContact OE1-NH1 2.78Å; E2731-R2735 IonicContact OE1-NH2 3.06Å; E2731-R2735 PolarHBondContact OE1-NH2 3.33Å; E2731-R2735 WeakPolarHBondContact OE2-CD 3.25Å; E2731-R2735 VanDerWaalsContact OE2-CG 3.23Å; E2731-R2735 WeakPolarHBondContact OE2-CG 3.33Å; E2731-R2735 IonicContact OE2-CZ 3.38Å; E2731-R2735 IonicContact OE2-NE 3.03Å; E2731-R2735 PolarHBondContact OE2-NE 3.37Å; E2731-R2735 IonicContact OE2-NH1 3.28Å; E2731-R2735 PolarHBondContact OE2-NH1 3.04Å; E2731-R2735 IonicContact OE2-NH2 3.34Å; E2731-R2735 PolarHBondContact OE2-NH2 3.22Å; E2731-R2736 PolarHBondContact O-N 3.08Å; E2731-F2739 HydrophobicContact CB-CD2 4.1Å; E2731-F2739 HydrophobicContact CB-CE2 4.3Å; E2731-F2739 HydrophobicContact CG-CD2 4.45Å; E2731-F2744 HydrophobicContact CB-CZ 4.31Å; E2731-F2744 HydrophobicContact CG-CZ 4.06Å |
| 2732 | H | 89.1 | Confident | 89.2 | Confident | 5.66667 Ų | 5.66667 | 42 Ų | 42 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.2 | 174.5 | -105.4 | 0 | 0 | 0 | 111.2 | L2728 L2729 Q2730 R2736 F2739 K2848 T2850 A2851 | L2728-H2732 HydrophobicContact CD2-CB 4.48Å; L2728-H2732 VanDerWaalsContact O-CB 3.3Å; L2728-H2732 WeakPolarHBondContact O-CB 3.3Å; L2728-H2732 PolarHBondContact O-N 3.29Å; L2729-H2732 PolarHBondContact O-N 2.94Å; Q2730-H2732 VanDerWaalsContact C-N 3.29Å; Q2730-H2732 PolarHBondContact O-N 3.33Å; H2732-R2736 VanDerWaalsContact O-CA 3.26Å; H2732-R2736 WeakPolarHBondContact O-CA 3.37Å; H2732-R2736 WeakPolarHBondContact O-CD 3.48Å; H2732-R2736 WeakPolarHBondContact O-CG 3.33Å; H2732-R2736 PolarHBondContact O-N 3.19Å; H2732-R2736 VanDerWaalsContact O-N 3.17Å; H2732-R2736 PolarHBondContact O-NE 2.86Å; H2732-F2739 HydrophobicContact CB-CD2 3.89Å; H2732-F2739 HydrophobicContact CB-CE2 3.91Å; H2732-F2739 HydrophobicContact CB-CG 4.42Å; H2732-F2739 HydrophobicContact CB-CZ 4.42Å; H2732-K2848 PolarHBondContact CE1-O 2.78Å; H2732-K2848 VanDerWaalsContact CE1-O 3.31Å; H2732-K2848 PolarHBondContact ND1-O 2.98Å; H2732-T2850 PolarHBondContact NE2-N 3.03Å; H2732-T2850 PolarHBondContact NE2-OG1 3.36Å; H2732-A2851 VanDerWaalsContact CD2-CB 3.47Å; H2732-A2851 WeakPolarHBondContact CD2-CB 3.39Å; H2732-A2851 PolarHBondContact NE2-N 3.35Å |
| 2733 | E | 83.9 | Confident | 89.2 | Confident | 50.6667 Ų | 50.6667 | 42 Ų | 42 | 24% | 0.237 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -78.4 | -45.9 | -175.3 | -141.9 | 89 | -163.5 | 0 | 0 | 113.5 | F2500 L2729 Q2730 E2731 R2736 | F2500-E2733 HydrophobicContact CB-CG 4.21Å; F2500-E2733 HydrophobicContact CD1-CB 4.39Å; F2500-E2733 HydrophobicContact CD1-CG 4.36Å; F2500-E2733 WeakPolarHBondContact CD1-OE2 3.46Å; F2500-E2733 WeakPolarHBondContact CE1-OE1 3.46Å; F2500-E2733 WeakPolarHBondContact CE1-OE2 3.38Å; F2500-E2733 WeakPolarHBondContact CG-OE2 3.48Å; L2729-E2733 VanDerWaalsContact O-CB 3.31Å; L2729-E2733 WeakPolarHBondContact O-CB 3.41Å; L2729-E2733 WeakPolarHBondContact O-CG 3.34Å; L2729-E2733 PolarHBondContact O-N 3.38Å; Q2730-E2733 PolarHBondContact O-N 2.94Å; E2731-E2733 VanDerWaalsContact C-N 3.34Å; E2733-R2736 IonicContact OE1-CZ 3.34Å; E2733-R2736 IonicContact OE1-NE 3.44Å; E2733-R2736 IonicContact OE1-NH2 3.3Å; E2733-R2736 PolarHBondContact OE1-NH2 3.42Å; E2733-R2736 IonicContact OE2-CZ 3.55Å; E2733-R2736 IonicContact OE2-NE 3.19Å; E2733-R2736 PolarHBondContact OE2-NE 3.19Å; E2733-R2736 IonicContact OE2-NH2 3.17Å; E2733-R2736 PolarHBondContact OE2-NH2 3.11Å |
| 2734 | V | 83.1 | Confident | 89.3 | Confident | 80.6667 Ų | 80.6667 | 42 Ų | 42 | 49% | 0.489 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -80 | -36.5 | -174.9 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | T2501 Q2730 | T2501-V2734 HydrophobicContact CG2-CG2 3.64Å; Q2730-V2734 HydrophobicContact CG-CG2 4.29Å; Q2730-V2734 VanDerWaalsContact NE2-CG2 3.29Å; Q2730-V2734 WeakPolarHBondContact O-CB 3.44Å; Q2730-V2734 VanDerWaalsContact O-CG2 3.3Å; Q2730-V2734 WeakPolarHBondContact O-CG2 3.38Å; Q2730-V2734 PolarHBondContact O-N 3.34Å |
| 2735 | R | 80.3 | Confident | 89.2 | Confident | 94.6667 Ų | 94.6667 | 43.9 Ų | 43.9 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | trans | -125.3 | 44.6 | -172.9 | -61.8 | -167.8 | -112.2 | 113.8 | -12.3 | 112.2 | E2731 D2737 L2738 F2739 | E2731-R2735 VanDerWaalsContact CD-CZ 3.42Å; E2731-R2735 CarbonylContact O-C 3.52Å; E2731-R2735 WeakPolarHBondContact O-CA 3.33Å; E2731-R2735 PolarHBondContact O-N 3.03Å; E2731-R2735 VanDerWaalsContact O-N 3.15Å; E2731-R2735 IonicContact OE1-CZ 3.14Å; E2731-R2735 IonicContact OE1-NE 3.32Å; E2731-R2735 PolarHBondContact OE1-NE 3.25Å; E2731-R2735 IonicContact OE1-NH1 3.35Å; E2731-R2735 PolarHBondContact OE1-NH1 2.78Å; E2731-R2735 IonicContact OE1-NH2 3.06Å; E2731-R2735 PolarHBondContact OE1-NH2 3.33Å; E2731-R2735 WeakPolarHBondContact OE2-CD 3.25Å; E2731-R2735 VanDerWaalsContact OE2-CG 3.23Å; E2731-R2735 WeakPolarHBondContact OE2-CG 3.33Å; E2731-R2735 IonicContact OE2-CZ 3.38Å; E2731-R2735 IonicContact OE2-NE 3.03Å; E2731-R2735 PolarHBondContact OE2-NE 3.37Å; E2731-R2735 IonicContact OE2-NH1 3.28Å; E2731-R2735 PolarHBondContact OE2-NH1 3.04Å; E2731-R2735 IonicContact OE2-NH2 3.34Å; E2731-R2735 PolarHBondContact OE2-NH2 3.22Å; R2735-D2737 PolarHBondContact O-N 2.98Å; R2735-D2737 VanDerWaalsContact O-N 3.08Å; R2735-L2738 HydrophobicContact CB-CB 4.42Å; R2735-L2738 HydrophobicContact CB-CD1 4.39Å; R2735-L2738 CarbonylContact O-C 3.52Å; R2735-L2738 WeakPolarHBondContact O-CA 3.13Å; R2735-L2738 PolarHBondContact O-N 3.02Å; R2735-F2739 PolarHBondContact O-N 3.08Å | ||
| 2736 | R | 79.5 | Confident | 89.2 | Confident | 140 Ų | 140 | 47.7 Ų | 47.7 | 53% | 0.528 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -41.9 | -45.7 | 179.8 | -68.2 | -156.7 | 175.1 | 172.5 | 0.9 | 113.8 | E2731 H2732 E2733 L2738 F2739 | E2731-R2736 PolarHBondContact O-N 3.08Å; H2732-R2736 VanDerWaalsContact O-CA 3.26Å; H2732-R2736 WeakPolarHBondContact O-CA 3.37Å; H2732-R2736 WeakPolarHBondContact O-CD 3.48Å; H2732-R2736 WeakPolarHBondContact O-CG 3.33Å; H2732-R2736 PolarHBondContact O-N 3.19Å; H2732-R2736 VanDerWaalsContact O-N 3.17Å; H2732-R2736 PolarHBondContact O-NE 2.86Å; E2733-R2736 IonicContact OE1-CZ 3.34Å; E2733-R2736 IonicContact OE1-NE 3.44Å; E2733-R2736 IonicContact OE1-NH2 3.3Å; E2733-R2736 PolarHBondContact OE1-NH2 3.42Å; E2733-R2736 IonicContact OE2-CZ 3.55Å; E2733-R2736 IonicContact OE2-NE 3.19Å; E2733-R2736 PolarHBondContact OE2-NE 3.19Å; E2733-R2736 IonicContact OE2-NH2 3.17Å; E2733-R2736 PolarHBondContact OE2-NH2 3.11Å; R2736-L2738 VanDerWaalsContact C-N 3.31Å; R2736-L2738 PolarHBondContact O-N 3.31Å; R2736-F2739 WeakPolarHBondContact O-CB 3.39Å; R2736-F2739 PolarHBondContact O-N 3.15Å |
| 2737 | D | 78.9 | Confident | 89.4 | Confident | 166 Ų | 166 | 47.5 Ų | 47.5 | 89% | 0.888 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -74.3 | -18.5 | -176 | -57.7 | -37.8 | 0 | 0 | 0 | 114.1 | R2735 | R2735-D2737 PolarHBondContact O-N 2.98Å; R2735-D2737 VanDerWaalsContact O-N 3.08Å |
| 2738 | L | 81.8 | Confident | 89.5 | Confident | 92.6667 Ų | 92.6667 | 47 Ų | 47 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -112 | 5.2 | 179.8 | -63.3 | 166.2 | 0 | 0 | 0 | 112 | K2652 R2735 R2736 H2740 | K2652-L2738 HydrophobicContact CD-CD2 4.03Å; R2735-L2738 HydrophobicContact CB-CB 4.42Å; R2735-L2738 HydrophobicContact CB-CD1 4.39Å; R2735-L2738 CarbonylContact O-C 3.52Å; R2735-L2738 WeakPolarHBondContact O-CA 3.13Å; R2735-L2738 PolarHBondContact O-N 3.02Å; R2736-L2738 VanDerWaalsContact C-N 3.31Å; R2736-L2738 PolarHBondContact O-N 3.31Å; L2738-H2740 PolarHBondContact O-N 3.28Å |
| 2739 | F | 89.9 | Confident | 89.4 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 10% | 0.101 | 23% | 0.232 | C | C | . | . | trans | -70 | 123.4 | -177.5 | 178.3 | -95.8 | 0 | 0 | 0 | 109.9 | L2728 E2731 H2732 R2735 R2736 P2741 F2744 A2851 F2852 | L2728-F2739 HydrophobicContact CD2-CE2 4.1Å; L2728-F2739 HydrophobicContact CD2-CZ 3.95Å; L2728-F2739 HydrophobicContact CG-CE2 4.13Å; L2728-F2739 HydrophobicContact CG-CZ 4.08Å; E2731-F2739 HydrophobicContact CB-CD2 4.1Å; E2731-F2739 HydrophobicContact CB-CE2 4.3Å; E2731-F2739 HydrophobicContact CG-CD2 4.45Å; H2732-F2739 HydrophobicContact CB-CD2 3.89Å; H2732-F2739 HydrophobicContact CB-CE2 3.91Å; H2732-F2739 HydrophobicContact CB-CG 4.42Å; H2732-F2739 HydrophobicContact CB-CZ 4.42Å; R2735-F2739 PolarHBondContact O-N 3.08Å; R2736-F2739 WeakPolarHBondContact O-CB 3.39Å; R2736-F2739 PolarHBondContact O-N 3.15Å; F2739-P2741 HydrophobicContact CE1-CB 3.97Å; F2739-P2741 HydrophobicContact CZ-CB 4.48Å; F2739-F2744 HydrophobicContact CD2-CE2 4.46Å; F2739-F2744 HydrophobicContact CE2-CD2 4.18Å; F2739-F2744 AromaticContact CE2-CE2 3.83Å; F2739-F2744 HydrophobicContact CE2-CE2 3.83Å; F2739-F2744 HydrophobicContact CZ-CD2 4.28Å; F2739-F2744 HydrophobicContact CZ-CE2 4.32Å; F2739-A2851 HydrophobicContact CD1-CB 3.57Å; F2739-A2851 HydrophobicContact CE1-CB 3.91Å; F2739-A2851 HydrophobicContact CG-CB 4.44Å; F2739-F2852 HydrophobicContact CE1-CB 4.26Å; F2739-F2852 HydrophobicContact CE1-CD2 4.33Å; F2739-F2852 HydrophobicContact CZ-CB 4.22Å; F2739-F2852 HydrophobicContact CZ-CD2 4.3Å | ||
| 2740 | H | 91.1 | Very high | 89.5 | Confident | 66.3333 Ų | 66.3333 | 49.3 Ų | 49.3 | 31% | 0.307 | 24% | 0.236 | S | C | . | . | trans | -117.5 | 122 | 175.6 | -161.2 | -69.8 | 0 | 0 | 0 | 109.2 | L2648 L2651 L2738 M2742 P2743 | L2648-H2740 HydrophobicContact CD2-CB 3.67Å; L2651-H2740 HydrophobicContact CD1-CB 4.32Å; L2738-H2740 PolarHBondContact O-N 3.28Å; H2740-M2742 VanDerWaalsContact CE1-CB 3.45Å; H2740-M2742 WeakPolarHBondContact CE1-CB 3.44Å; H2740-M2742 WeakPolarHBondContact ND1-CB 3.37Å; H2740-M2742 PolarHBondContact ND1-N 3.17Å; H2740-P2743 WeakPolarHBondContact O-CD 3.42Å | ||
| 2741 | P | 93.7 | Very high | 89.9 | Confident | 34.3333 Ų | 34.3333 | 46.5 Ų | 46.5 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -78.2 | -27.6 | -171.2 | 30.2 | -36.6 | 0 | 0 | 0 | 113.9 | F2739 F2744 E2745 F2852 S2855 | F2739-P2741 HydrophobicContact CE1-CB 3.97Å; F2739-P2741 HydrophobicContact CZ-CB 4.48Å; P2741-F2744 PolarHBondContact O-N 3.14Å; P2741-F2744 VanDerWaalsContact O-N 3.15Å; P2741-E2745 PolarHBondContact O-N 3.39Å; P2741-E2745 VanDerWaalsContact O-N 3.09Å; P2741-F2852 HydrophobicContact CB-CD2 3.69Å; P2741-F2852 HydrophobicContact CB-CE2 4.2Å; P2741-S2855 WeakPolarHBondContact CB-OG 3.34Å |
| 2742 | M | 92.8 | Very high | 90.1 | Very high | 23.3333 Ų | 23.3333 | 46 Ų | 46 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.8 | -44.3 | -172.9 | 169.7 | -90.4 | 144.8 | 0 | 0 | 115.4 | L2651 A2683 Y2684 L2687 H2740 F2744 E2745 R2746 | L2651-M2742 HydrophobicContact CD1-SD 4.06Å; L2651-M2742 HydrophobicContact CD2-SD 4.45Å; A2683-M2742 HydrophobicContact CB-CE 4Å; Y2684-M2742 HydrophobicContact CD1-CE 3.23Å; Y2684-M2742 HydrophobicContact CD1-SD 4.22Å; Y2684-M2742 HydrophobicContact CE1-CE 3.07Å; Y2684-M2742 HydrophobicContact CE1-CG 4.14Å; Y2684-M2742 HydrophobicContact CE1-SD 3.83Å; Y2684-M2742 HydrophobicContact CG-CE 4.19Å; L2687-M2742 HydrophobicContact CD1-CE 3.58Å; L2687-M2742 HydrophobicContact CD1-SD 4.46Å; H2740-M2742 VanDerWaalsContact CE1-CB 3.45Å; H2740-M2742 WeakPolarHBondContact CE1-CB 3.44Å; H2740-M2742 WeakPolarHBondContact ND1-CB 3.37Å; H2740-M2742 PolarHBondContact ND1-N 3.17Å; M2742-F2744 VanDerWaalsContact C-N 3.29Å; M2742-F2744 PolarHBondContact O-N 3.31Å; M2742-E2745 PolarHBondContact O-N 3.24Å; M2742-R2746 HydrophobicContact CE-CB 3.42Å; M2742-R2746 VanDerWaalsContact CE-CB 3.42Å; M2742-R2746 HydrophobicContact CE-CG 3.79Å; M2742-R2746 VanDerWaalsContact O-CB 3.28Å; M2742-R2746 WeakPolarHBondContact O-CB 3.4Å; M2742-R2746 PolarHBondContact O-N 3.04Å |
| 2743 | P | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 179.9 | -26.2 | 35.8 | 0 | 0 | 0 | 112.9 | A2647 L2648 L2651 L2687 H2740 L2747 | A2647-P2743 HydrophobicContact CB-CB 4.11Å; A2647-P2743 HydrophobicContact CB-CG 4.01Å; L2648-P2743 HydrophobicContact CD2-CG 4.21Å; L2651-P2743 HydrophobicContact CD1-CG 3.87Å; L2687-P2743 HydrophobicContact CD1-CB 4.07Å; L2687-P2743 HydrophobicContact CD2-CB 4.18Å; H2740-P2743 WeakPolarHBondContact O-CD 3.42Å; P2743-L2747 VanDerWaalsContact O-CB 3.23Å; P2743-L2747 WeakPolarHBondContact O-CB 3.34Å; P2743-L2747 VanDerWaalsContact O-CG 3.26Å; P2743-L2747 WeakPolarHBondContact O-CG 3.42Å; P2743-L2747 PolarHBondContact O-N 3.12Å; P2743-L2747 VanDerWaalsContact O-N 3.1Å |
| 2744 | F | 96.5 | Very high | 90.4 | Very high | 0.333333 Ų | 0.333333 | 46.3 Ų | 46.3 | 0% | 0.001 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.9 | -47.1 | 179.6 | -60.6 | -80.9 | 0 | 0 | 0 | 111.7 | I2644 I2724 T2727 L2728 E2731 F2739 P2741 M2742 R2746 L2747 L2748 F2852 | I2644-F2744 HydrophobicContact CD1-CD1 4.14Å; I2644-F2744 HydrophobicContact CD1-CE1 3.48Å; I2644-F2744 VanDerWaalsContact CD1-CE1 3.48Å; I2644-F2744 HydrophobicContact CD1-CZ 4.02Å; I2644-F2744 HydrophobicContact CG1-CE1 4.34Å; I2644-F2744 HydrophobicContact CG2-CE1 4.45Å; I2644-F2744 HydrophobicContact CG2-CE2 4.39Å; I2644-F2744 HydrophobicContact CG2-CZ 3.95Å; I2724-F2744 HydrophobicContact CG2-CD1 4.18Å; T2727-F2744 HydrophobicContact CG2-CE1 4.26Å; T2727-F2744 HydrophobicContact CG2-CZ 4.48Å; L2728-F2744 VanDerWaalsContact CA-CE1 3.41Å; L2728-F2744 HydrophobicContact CB-CD1 3.58Å; L2728-F2744 HydrophobicContact CB-CE1 3.56Å; L2728-F2744 HydrophobicContact CB-CG 4.11Å; L2728-F2744 HydrophobicContact CB-CZ 4.1Å; L2728-F2744 HydrophobicContact CD1-CB 3.71Å; L2728-F2744 HydrophobicContact CD1-CD1 3.94Å; L2728-F2744 HydrophobicContact CD1-CD2 4.4Å; L2728-F2744 HydrophobicContact CD1-CG 3.77Å; L2728-F2744 HydrophobicContact CG-CB 4.34Å; L2728-F2744 HydrophobicContact CG-CD1 3.87Å; L2728-F2744 HydrophobicContact CG-CD2 4.13Å; L2728-F2744 HydrophobicContact CG-CE1 4.14Å; L2728-F2744 HydrophobicContact CG-CE2 4.41Å; L2728-F2744 HydrophobicContact CG-CG 3.85Å; L2728-F2744 HydrophobicContact CG-CZ 4.41Å; E2731-F2744 HydrophobicContact CB-CZ 4.31Å; E2731-F2744 HydrophobicContact CG-CZ 4.06Å; F2739-F2744 HydrophobicContact CD2-CE2 4.46Å; F2739-F2744 HydrophobicContact CE2-CD2 4.18Å; F2739-F2744 AromaticContact CE2-CE2 3.83Å; F2739-F2744 HydrophobicContact CE2-CE2 3.83Å; F2739-F2744 HydrophobicContact CZ-CD2 4.28Å; F2739-F2744 HydrophobicContact CZ-CE2 4.32Å; P2741-F2744 PolarHBondContact O-N 3.14Å; P2741-F2744 VanDerWaalsContact O-N 3.15Å; M2742-F2744 VanDerWaalsContact C-N 3.29Å; M2742-F2744 PolarHBondContact O-N 3.31Å; F2744-R2746 VanDerWaalsContact C-N 3.29Å; F2744-R2746 PolarHBondContact O-N 3.07Å; F2744-L2747 PolarHBondContact O-N 3.27Å; F2744-L2748 WeakPolarHBondContact O-CB 3.38Å; F2744-L2748 VanDerWaalsContact O-CG 3.27Å; F2744-L2748 WeakPolarHBondContact O-CG 3.26Å; F2744-L2748 PolarHBondContact O-N 3.18Å; F2744-F2852 HydrophobicContact CB-CE2 3.98Å; F2744-F2852 HydrophobicContact CB-CZ 4.48Å |
| 2745 | E | 95.8 | Very high | 90.8 | Very high | 38.6667 Ų | 38.6667 | 42.5 Ų | 42.5 | 18% | 0.181 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.3 | -50.9 | 177 | -172 | -165.4 | 141.9 | 0 | 0 | 111.3 | P2741 M2742 L2747 L2748 V2749 F2852 S2855 M2859 | P2741-E2745 PolarHBondContact O-N 3.39Å; P2741-E2745 VanDerWaalsContact O-N 3.09Å; M2742-E2745 PolarHBondContact O-N 3.24Å; E2745-L2747 VanDerWaalsContact C-N 3.32Å; E2745-L2747 PolarHBondContact O-N 2.91Å; E2745-L2748 PolarHBondContact O-N 3.13Å; E2745-V2749 HydrophobicContact CG-CG2 4.46Å; E2745-V2749 WeakPolarHBondContact O-CB 3.19Å; E2745-V2749 VanDerWaalsContact O-CG2 3.3Å; E2745-V2749 WeakPolarHBondContact O-CG2 3.34Å; E2745-V2749 PolarHBondContact O-N 3.25Å; E2745-F2852 HydrophobicContact CB-CE2 4.21Å; E2745-F2852 HydrophobicContact CB-CZ 4.48Å; E2745-S2855 WeakPolarHBondContact OE2-CB 3.37Å; E2745-S2855 PolarHBondContact OE2-OG 2.88Å; E2745-M2859 HydrophobicContact CG-CG 4.38Å |
| 2746 | R | 94.6 | Very high | 90.9 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 30% | 0.302 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 179.9 | -179 | 65.6 | 176.7 | -175.8 | 2.9 | 111.3 | Y2684 L2687 D2688 M2742 F2744 L2748 V2749 I2750 | Y2684-R2746 HydrophobicContact CD1-CG 3.92Å; Y2684-R2746 HydrophobicContact CE1-CG 4.42Å; L2687-R2746 HydrophobicContact CB-CG 4.3Å; L2687-R2746 HydrophobicContact CD1-CB 4.25Å; L2687-R2746 HydrophobicContact CD1-CG 4.23Å; D2688-R2746 IonicContact OD1-CZ 3.24Å; D2688-R2746 IonicContact OD1-NE 3.34Å; D2688-R2746 PolarHBondContact OD1-NE 2.95Å; D2688-R2746 IonicContact OD1-NH2 2.96Å; D2688-R2746 PolarHBondContact OD1-NH2 3.15Å; D2688-R2746 IonicContact OD2-CZ 3.46Å; D2688-R2746 IonicContact OD2-NE 2.99Å; D2688-R2746 IonicContact OD2-NH2 3.14Å; D2688-R2746 PolarHBondContact OD2-NH2 3.11Å; M2742-R2746 HydrophobicContact CE-CB 3.42Å; M2742-R2746 VanDerWaalsContact CE-CB 3.42Å; M2742-R2746 HydrophobicContact CE-CG 3.79Å; M2742-R2746 VanDerWaalsContact O-CB 3.28Å; M2742-R2746 WeakPolarHBondContact O-CB 3.4Å; M2742-R2746 PolarHBondContact O-N 3.04Å; F2744-R2746 VanDerWaalsContact C-N 3.29Å; F2744-R2746 PolarHBondContact O-N 3.07Å; R2746-L2748 VanDerWaalsContact C-N 3.33Å; R2746-L2748 PolarHBondContact O-N 3.15Å; R2746-V2749 PolarHBondContact O-N 2.84Å; R2746-I2750 HydrophobicContact CG-CD1 4.02Å; R2746-I2750 HydrophobicContact CG-CG1 4.31Å; R2746-I2750 WeakPolarHBondContact O-CB 3.39Å; R2746-I2750 VanDerWaalsContact O-CG1 3.23Å; R2746-I2750 WeakPolarHBondContact O-CG1 3.45Å; R2746-I2750 PolarHBondContact O-N 2.98Å |
| 2747 | L | 96 | Very high | 90.7 | Very high | 1.66667 Ų | 1.66667 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -47.8 | 179.8 | -151.8 | 88.6 | 0 | 0 | 0 | 111.5 | V2643 I2644 L2687 Y2690 A2691 I2724 P2743 F2744 E2745 L2751 | V2643-L2747 HydrophobicContact CG2-CD1 4.35Å; I2644-L2747 HydrophobicContact CG1-CD1 4.31Å; L2687-L2747 HydrophobicContact CB-CD2 3.78Å; L2687-L2747 HydrophobicContact CB-CG 4.25Å; L2687-L2747 HydrophobicContact CD2-CB 4.36Å; L2687-L2747 HydrophobicContact CD2-CD1 3.92Å; L2687-L2747 HydrophobicContact CD2-CD2 3.93Å; L2687-L2747 HydrophobicContact CD2-CG 3.78Å; L2687-L2747 HydrophobicContact CG-CD2 4.45Å; L2687-L2747 WeakPolarHBondContact O-CD2 3.35Å; Y2690-L2747 HydrophobicContact CD1-CD1 3.72Å; Y2690-L2747 VanDerWaalsContact CD1-CD1 3.46Å; Y2690-L2747 HydrophobicContact CD1-CD2 3.85Å; Y2690-L2747 HydrophobicContact CD1-CG 4.38Å; Y2690-L2747 HydrophobicContact CE1-CD1 4.12Å; Y2690-L2747 HydrophobicContact CE1-CD2 4.05Å; Y2690-L2747 HydrophobicContact CE1-CG 4.48Å; A2691-L2747 HydrophobicContact CB-CD1 3.91Å; A2691-L2747 HydrophobicContact CB-CD2 4.4Å; I2724-L2747 HydrophobicContact CD1-CD2 3.68Å; I2724-L2747 HydrophobicContact CD1-CG 4.05Å; I2724-L2747 HydrophobicContact CG1-CD2 3.85Å; I2724-L2747 HydrophobicContact CG2-CD2 4.09Å; P2743-L2747 VanDerWaalsContact O-CB 3.23Å; P2743-L2747 WeakPolarHBondContact O-CB 3.34Å; P2743-L2747 VanDerWaalsContact O-CG 3.26Å; P2743-L2747 WeakPolarHBondContact O-CG 3.42Å; P2743-L2747 PolarHBondContact O-N 3.12Å; P2743-L2747 VanDerWaalsContact O-N 3.1Å; F2744-L2747 PolarHBondContact O-N 3.27Å; E2745-L2747 VanDerWaalsContact C-N 3.32Å; E2745-L2747 PolarHBondContact O-N 2.91Å; L2747-L2751 WeakPolarHBondContact O-CB 3.41Å; L2747-L2751 PolarHBondContact O-N 3.2Å |
| 2748 | L | 96.1 | Very high | 89.7 | Confident | 0.333333 Ų | 0.333333 | 30.8 Ų | 30.8 | 0% | 0.002 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68 | -42.1 | -177.7 | -66.7 | 179.9 | 0 | 0 | 0 | 112.4 | L2721 I2724 F2744 E2745 R2746 L2751 F2752 F2837 L2840 L2844 F2852 M2859 | L2721-L2748 HydrophobicContact CD2-CD2 3.94Å; I2724-L2748 HydrophobicContact CB-CD2 4.43Å; I2724-L2748 HydrophobicContact CD1-CD2 4.19Å; I2724-L2748 HydrophobicContact CG2-CD2 3.83Å; I2724-L2748 HydrophobicContact CG2-CG 4.25Å; F2744-L2748 WeakPolarHBondContact O-CB 3.38Å; F2744-L2748 VanDerWaalsContact O-CG 3.27Å; F2744-L2748 WeakPolarHBondContact O-CG 3.26Å; F2744-L2748 PolarHBondContact O-N 3.18Å; E2745-L2748 PolarHBondContact O-N 3.13Å; R2746-L2748 VanDerWaalsContact C-N 3.33Å; R2746-L2748 PolarHBondContact O-N 3.15Å; L2748-L2751 PolarHBondContact O-N 3.24Å; L2748-F2752 WeakPolarHBondContact O-CB 3.33Å; L2748-F2752 PolarHBondContact O-N 3.21Å; L2748-F2837 WeakPolarHBondContact O-CE1 3.29Å; L2748-L2840 HydrophobicContact CD1-CD2 4.09Å; L2748-L2840 HydrophobicContact CD2-CD2 3.62Å; L2748-L2840 HydrophobicContact CG-CD2 4.41Å; L2748-L2844 HydrophobicContact CD1-CD1 4.02Å; L2748-F2852 HydrophobicContact CD1-CZ 4.49Å; L2748-M2859 HydrophobicContact CB-CE 3.45Å; L2748-M2859 VanDerWaalsContact CB-CE 3.45Å; L2748-M2859 HydrophobicContact CB-SD 4.09Å; L2748-M2859 HydrophobicContact CD1-CE 3.85Å; L2748-M2859 HydrophobicContact CD1-SD 4.06Å; L2748-M2859 HydrophobicContact CG-CE 4.29Å |
| 2749 | V | 93.5 | Very high | 88 | Confident | 33.3333 Ų | 33.3333 | 32.5 Ų | 32.5 | 20% | 0.202 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -49.5 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | E2745 R2746 L2751 F2752 V2753 M2859 | E2745-V2749 HydrophobicContact CG-CG2 4.46Å; E2745-V2749 WeakPolarHBondContact O-CB 3.19Å; E2745-V2749 VanDerWaalsContact O-CG2 3.3Å; E2745-V2749 WeakPolarHBondContact O-CG2 3.34Å; E2745-V2749 PolarHBondContact O-N 3.25Å; R2746-V2749 PolarHBondContact O-N 2.84Å; V2749-L2751 VanDerWaalsContact C-N 3.33Å; V2749-L2751 PolarHBondContact O-N 3.08Å; V2749-F2752 WeakPolarHBondContact O-CB 3.39Å; V2749-F2752 PolarHBondContact O-N 3.12Å; V2749-V2753 HydrophobicContact CG1-CG2 4.49Å; V2749-V2753 VanDerWaalsContact O-CG2 3.29Å; V2749-V2753 WeakPolarHBondContact O-CG2 3.37Å; V2749-V2753 PolarHBondContact O-N 3.39Å; V2749-M2859 HydrophobicContact CG2-CG 3.89Å |
| 2750 | I | 93.7 | Very high | 85.2 | Confident | 24.6667 Ų | 24.6667 | 36.3 Ų | 36.3 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | -178.6 | -64.6 | -94.7 | 0 | 0 | 0 | 111.2 | D2688 A2691 R2746 F2752 V2753 E2754 | D2688-I2750 HydrophobicContact CB-CD1 4.02Å; D2688-I2750 HydrophobicContact CB-CG2 4.48Å; D2688-I2750 WeakPolarHBondContact OD1-CD1 3.4Å; A2691-I2750 HydrophobicContact CB-CB 4.13Å; A2691-I2750 HydrophobicContact CB-CG2 3.65Å; A2691-I2750 VanDerWaalsContact CB-CG2 3.47Å; R2746-I2750 HydrophobicContact CG-CD1 4.02Å; R2746-I2750 HydrophobicContact CG-CG1 4.31Å; R2746-I2750 WeakPolarHBondContact O-CB 3.39Å; R2746-I2750 VanDerWaalsContact O-CG1 3.23Å; R2746-I2750 WeakPolarHBondContact O-CG1 3.45Å; R2746-I2750 PolarHBondContact O-N 2.98Å; I2750-F2752 VanDerWaalsContact C-N 3.31Å; I2750-F2752 PolarHBondContact O-N 3.26Å; I2750-V2753 PolarHBondContact O-N 3.13Å; I2750-V2753 VanDerWaalsContact O-N 3.16Å; I2750-E2754 HydrophobicContact CG2-CG 4Å; I2750-E2754 VanDerWaalsContact O-CB 3.28Å; I2750-E2754 WeakPolarHBondContact O-CB 3.33Å; I2750-E2754 VanDerWaalsContact O-CG 3.32Å; I2750-E2754 WeakPolarHBondContact O-CG 3.37Å; I2750-E2754 PolarHBondContact O-N 3.23Å |
| 2751 | L | 94.5 | Very high | 82 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 176 | -175.9 | 60.4 | 0 | 0 | 0 | 111.4 | A2691 V2694 L2721 I2724 L2747 L2748 V2749 V2753 E2754 L2755 F2837 | A2691-L2751 HydrophobicContact CB-CB 4.32Å; V2694-L2751 HydrophobicContact CB-CD1 3.93Å; V2694-L2751 HydrophobicContact CG1-CD1 3.61Å; V2694-L2751 HydrophobicContact CG1-CD2 4.25Å; L2721-L2751 HydrophobicContact CD2-CD2 3.57Å; I2724-L2751 HydrophobicContact CD1-CD2 4.23Å; L2747-L2751 WeakPolarHBondContact O-CB 3.41Å; L2747-L2751 PolarHBondContact O-N 3.2Å; L2748-L2751 PolarHBondContact O-N 3.24Å; V2749-L2751 VanDerWaalsContact C-N 3.33Å; V2749-L2751 PolarHBondContact O-N 3.08Å; L2751-V2753 VanDerWaalsContact C-N 3.32Å; L2751-V2753 PolarHBondContact O-N 2.76Å; L2751-E2754 PolarHBondContact O-N 3.2Å; L2751-L2755 HydrophobicContact CD1-CD1 3.81Å; L2751-L2755 HydrophobicContact CD1-CG 4.08Å; L2751-L2755 HydrophobicContact CG-CD1 3.87Å; L2751-L2755 HydrophobicContact CG-CG 4.49Å; L2751-L2755 WeakPolarHBondContact O-CB 3.36Å; L2751-L2755 WeakPolarHBondContact O-CD1 3.45Å; L2751-L2755 VanDerWaalsContact O-CG 3.23Å; L2751-L2755 WeakPolarHBondContact O-CG 3.43Å; L2751-L2755 PolarHBondContact O-N 3.05Å; L2751-L2755 VanDerWaalsContact O-N 3.12Å; L2751-F2837 HydrophobicContact CG-CZ 4.48Å |
| 2752 | F | 92.6 | Very high | 78.8 | Confident | 9.33333 Ų | 9.33333 | 44.6 Ų | 44.6 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 174 | -175.7 | -105.4 | 0 | 0 | 0 | 111.6 | L2748 V2749 I2750 L2755 Q2756 L2833 F2837 F2865 C2868 | L2748-F2752 WeakPolarHBondContact O-CB 3.33Å; L2748-F2752 PolarHBondContact O-N 3.21Å; V2749-F2752 WeakPolarHBondContact O-CB 3.39Å; V2749-F2752 PolarHBondContact O-N 3.12Å; I2750-F2752 VanDerWaalsContact C-N 3.31Å; I2750-F2752 PolarHBondContact O-N 3.26Å; F2752-L2755 PolarHBondContact O-N 3.32Å; F2752-Q2756 HydrophobicContact CD1-CG 4.3Å; F2752-Q2756 HydrophobicContact CE1-CG 4.28Å; F2752-Q2756 HydrophobicContact CZ-CG 4.31Å; F2752-Q2756 VanDerWaalsContact CZ-NE2 3.35Å; F2752-Q2756 VanDerWaalsContact O-CG 3.25Å; F2752-Q2756 WeakPolarHBondContact O-CG 3.43Å; F2752-Q2756 PolarHBondContact O-N 3.04Å; F2752-Q2756 VanDerWaalsContact O-N 3.08Å; F2752-L2833 HydrophobicContact CE2-CG 4.4Å; F2752-F2837 HydrophobicContact CB-CD1 4.22Å; F2752-F2837 HydrophobicContact CB-CE1 3.67Å; F2752-F2837 HydrophobicContact CB-CE2 4.32Å; F2752-F2837 HydrophobicContact CB-CZ 3.71Å; F2752-F2837 HydrophobicContact CD2-CB 4.27Å; F2752-F2837 AromaticContact CD2-CD1 3.84Å; F2752-F2837 HydrophobicContact CD2-CD1 3.84Å; F2752-F2837 AromaticContact CD2-CD2 3.59Å; F2752-F2837 HydrophobicContact CD2-CD2 3.59Å; F2752-F2837 HydrophobicContact CD2-CE1 4.02Å; F2752-F2837 AromaticContact CD2-CE2 3.77Å; F2752-F2837 HydrophobicContact CD2-CE2 3.77Å; F2752-F2837 AromaticContact CD2-CG 3.61Å; F2752-F2837 HydrophobicContact CD2-CG 3.61Å; F2752-F2837 AromaticContact CD2-CZ 3.97Å; F2752-F2837 HydrophobicContact CD2-CZ 3.97Å; F2752-F2837 HydrophobicContact CE2-CB 4.36Å; F2752-F2837 HydrophobicContact CE2-CD2 4.18Å; F2752-F2837 HydrophobicContact CE2-CG 4.16Å; F2752-F2837 HydrophobicContact CG-CD1 4.37Å; F2752-F2837 HydrophobicContact CG-CE1 4.28Å; F2752-F2837 HydrophobicContact CG-CZ 4.36Å; F2752-F2865 HydrophobicContact CE1-CB 4.47Å; F2752-F2865 HydrophobicContact CE1-CD2 4.35Å; F2752-F2865 HydrophobicContact CE2-CD2 4.24Å; F2752-F2865 AromaticContact CZ-CD2 3.98Å; F2752-F2865 HydrophobicContact CZ-CD2 3.99Å; F2752-C2868 HydrophobicContact CZ-CB 4.36Å |
| 2753 | V | 90.2 | Very high | 75.5 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -48.4 | -179.9 | 168.1 | 0 | 0 | 0 | 0 | 112.4 | V2749 I2750 L2751 L2755 Q2756 S2757 W2864 | V2749-V2753 HydrophobicContact CG1-CG2 4.49Å; V2749-V2753 VanDerWaalsContact O-CG2 3.29Å; V2749-V2753 WeakPolarHBondContact O-CG2 3.37Å; V2749-V2753 PolarHBondContact O-N 3.39Å; I2750-V2753 PolarHBondContact O-N 3.13Å; I2750-V2753 VanDerWaalsContact O-N 3.16Å; L2751-V2753 VanDerWaalsContact C-N 3.32Å; L2751-V2753 PolarHBondContact O-N 2.76Å; V2753-L2755 VanDerWaalsContact C-N 3.31Å; V2753-L2755 PolarHBondContact O-N 3.13Å; V2753-Q2756 PolarHBondContact O-N 3.21Å; V2753-S2757 WeakPolarHBondContact O-CB 3.39Å; V2753-S2757 PolarHBondContact O-N 3.03Å; V2753-S2757 VanDerWaalsContact O-N 3.1Å; V2753-S2757 PolarHBondContact O-OG 3.04Å; V2753-W2864 HydrophobicContact CB-CE3 4.48Å; V2753-W2864 HydrophobicContact CB-CZ3 4.01Å; V2753-W2864 HydrophobicContact CG1-CE3 4.45Å; V2753-W2864 HydrophobicContact CG1-CH2 4.3Å; V2753-W2864 HydrophobicContact CG1-CZ3 3.74Å; V2753-W2864 HydrophobicContact CG2-CE3 3.85Å; V2753-W2864 HydrophobicContact CG2-CZ3 3.89Å |
| 2754 | E | 89.5 | Confident | 72.2 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | -177.8 | -75.6 | -76.9 | 158.5 | 0 | 0 | 111.4 | R2692 I2750 L2751 Q2756 S2757 S2758 | R2692-E2754 WeakPolarHBondContact CD-OE2 3.47Å; R2692-E2754 IonicContact CZ-OE1 3.08Å; R2692-E2754 IonicContact CZ-OE2 3.78Å; R2692-E2754 IonicContact NE-OE1 2.97Å; R2692-E2754 IonicContact NE-OE2 2.75Å; R2692-E2754 PolarHBondContact NE-OE2 2.99Å; R2692-E2754 IonicContact NH1-OE1 2.91Å; R2692-E2754 PolarHBondContact NH1-OE1 3.39Å; R2692-E2754 IonicContact NH1-OE2 3.53Å; R2692-E2754 PolarHBondContact NH1-OE2 2.9Å; R2692-E2754 VanDerWaalsContact NH2-CD 3.28Å; R2692-E2754 IonicContact NH2-OE1 3.22Å; R2692-E2754 PolarHBondContact NH2-OE1 2.84Å; R2692-E2754 IonicContact NH2-OE2 3.27Å; R2692-E2754 PolarHBondContact NH2-OE2 3.15Å; I2750-E2754 HydrophobicContact CG2-CG 4Å; I2750-E2754 VanDerWaalsContact O-CB 3.28Å; I2750-E2754 WeakPolarHBondContact O-CB 3.33Å; I2750-E2754 VanDerWaalsContact O-CG 3.32Å; I2750-E2754 WeakPolarHBondContact O-CG 3.37Å; I2750-E2754 PolarHBondContact O-N 3.23Å; L2751-E2754 PolarHBondContact O-N 3.2Å; E2754-Q2756 VanDerWaalsContact C-N 3.32Å; E2754-Q2756 PolarHBondContact O-N 3.3Å; E2754-S2757 PolarHBondContact O-N 3.19Å; E2754-S2757 PolarHBondContact O-OG 2.97Å; E2754-S2758 WeakPolarHBondContact O-CB 3.44Å; E2754-S2758 PolarHBondContact O-N 3.13Å; E2754-S2758 VanDerWaalsContact O-N 3.14Å; E2754-S2758 PolarHBondContact O-OG 2.89Å; E2754-S2758 VanDerWaalsContact O-OG 3.1Å |
| 2755 | L | 90.1 | Very high | 68.8 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.5 | -26.2 | 178.3 | -69 | 171.9 | 0 | 0 | 0 | 113.7 | I2698 L2717 L2751 F2752 V2753 S2758 F2829 Q2830 L2833 F2837 | I2698-L2755 HydrophobicContact CB-CD2 4.44Å; I2698-L2755 HydrophobicContact CD1-CD1 4.45Å; I2698-L2755 HydrophobicContact CD1-CD2 4.17Å; I2698-L2755 HydrophobicContact CG2-CD2 4.35Å; L2717-L2755 HydrophobicContact CD1-CD1 3.5Å; L2717-L2755 VanDerWaalsContact CD1-CD1 3.47Å; L2717-L2755 HydrophobicContact CD2-CD1 4.28Å; L2751-L2755 HydrophobicContact CD1-CD1 3.81Å; L2751-L2755 HydrophobicContact CD1-CG 4.08Å; L2751-L2755 HydrophobicContact CG-CD1 3.87Å; L2751-L2755 HydrophobicContact CG-CG 4.49Å; L2751-L2755 WeakPolarHBondContact O-CB 3.36Å; L2751-L2755 WeakPolarHBondContact O-CD1 3.45Å; L2751-L2755 VanDerWaalsContact O-CG 3.23Å; L2751-L2755 WeakPolarHBondContact O-CG 3.43Å; L2751-L2755 PolarHBondContact O-N 3.05Å; L2751-L2755 VanDerWaalsContact O-N 3.12Å; F2752-L2755 PolarHBondContact O-N 3.32Å; V2753-L2755 VanDerWaalsContact C-N 3.31Å; V2753-L2755 PolarHBondContact O-N 3.13Å; L2755-S2758 PolarHBondContact O-OG 3.17Å; L2755-S2758 VanDerWaalsContact O-OG 3.08Å; L2755-F2829 HydrophobicContact CD2-CZ 4.34Å; L2755-Q2830 PolarHBondContact O-NE2 3.23Å; L2755-L2833 HydrophobicContact CB-CD1 4.14Å; L2755-L2833 HydrophobicContact CB-CD2 3.74Å; L2755-L2833 HydrophobicContact CD1-CD1 3.95Å; L2755-F2837 HydrophobicContact CD1-CE2 4.43Å |
| 2756 | Q | 83.8 | Confident | 65.4 | Low | 48.6667 Ų | 48.6667 | 63.9 Ų | 63.9 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.7 | -35.8 | 170.8 | -69.2 | -74.6 | -9.8 | 0 | 0 | 111.4 | F2752 V2753 E2754 S2758 Q2830 L2833 | F2752-Q2756 HydrophobicContact CD1-CG 4.3Å; F2752-Q2756 HydrophobicContact CE1-CG 4.28Å; F2752-Q2756 HydrophobicContact CZ-CG 4.31Å; F2752-Q2756 VanDerWaalsContact CZ-NE2 3.35Å; F2752-Q2756 VanDerWaalsContact O-CG 3.25Å; F2752-Q2756 WeakPolarHBondContact O-CG 3.43Å; F2752-Q2756 PolarHBondContact O-N 3.04Å; F2752-Q2756 VanDerWaalsContact O-N 3.08Å; V2753-Q2756 PolarHBondContact O-N 3.21Å; E2754-Q2756 VanDerWaalsContact C-N 3.32Å; E2754-Q2756 PolarHBondContact O-N 3.3Å; Q2756-S2758 VanDerWaalsContact C-N 3.33Å; Q2756-S2758 PolarHBondContact O-N 2.99Å; Q2756-Q2830 VanDerWaalsContact OE1-OE1 3.11Å; Q2756-L2833 HydrophobicContact CG-CD2 3.88Å |
| 2757 | S | 74.2 | Confident | 62 | Low | 61 Ų | 61 | 69.3 Ų | 69.3 | 43% | 0.427 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -76.7 | -20.6 | -174.1 | 44.3 | 0 | 0 | 0 | 0 | 114.9 | V2753 E2754 L2759 S2760 | V2753-S2757 WeakPolarHBondContact O-CB 3.39Å; V2753-S2757 PolarHBondContact O-N 3.03Å; V2753-S2757 VanDerWaalsContact O-N 3.1Å; V2753-S2757 PolarHBondContact O-OG 3.04Å; E2754-S2757 PolarHBondContact O-N 3.19Å; E2754-S2757 PolarHBondContact O-OG 2.97Å; S2757-L2759 PolarHBondContact O-N 3.04Å; S2757-S2760 PolarHBondContact O-N 3Å; S2757-S2760 PolarHBondContact O-OG 2.89Å |
| 2758 | S | 57.4 | Low | 58.5 | Low | 47 Ų | 47 | 75.1 Ų | 75.1 | 33% | 0.329 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 7.9 | -175.7 | 51.8 | 0 | 0 | 0 | 0 | 115.3 | N2699 E2754 L2755 Q2756 S2760 | N2699-S2758 VanDerWaalsContact ND2-CB 3.29Å; N2699-S2758 WeakPolarHBondContact ND2-CB 3.32Å; N2699-S2758 PolarHBondContact ND2-OG 3.14Å; N2699-S2758 PolarHBondContact OD1-OG 2.95Å; E2754-S2758 WeakPolarHBondContact O-CB 3.44Å; E2754-S2758 PolarHBondContact O-N 3.13Å; E2754-S2758 VanDerWaalsContact O-N 3.14Å; E2754-S2758 PolarHBondContact O-OG 2.89Å; E2754-S2758 VanDerWaalsContact O-OG 3.1Å; L2755-S2758 PolarHBondContact O-OG 3.17Å; L2755-S2758 VanDerWaalsContact O-OG 3.08Å; Q2756-S2758 VanDerWaalsContact C-N 3.33Å; Q2756-S2758 PolarHBondContact O-N 2.99Å; S2758-S2760 PolarHBondContact O-N 3.38Å |
| 2759 | L | 46.2 | Very low | 55.2 | Low | 127.333 Ų | 127.333 | 81.4 Ų | 81.4 | 67% | 0.667 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 27.9 | 173 | -153.8 | 73.9 | 0 | 0 | 0 | 113.6 | S2757 M2761 Q2830 | S2757-L2759 PolarHBondContact O-N 3.04Å; L2759-M2761 PolarHBondContact O-N 3.39Å; L2759-Q2830 HydrophobicContact CB-CG 4.47Å; L2759-Q2830 HydrophobicContact CD2-CG 3.7Å |
| 2760 | S | 32.1 | Very low | 52 | Low | 102.333 Ų | 102.333 | 83.4 Ų | 83.4 | 72% | 0.716 | 51% | 0.507 | S | S | * | . | trans | -112.3 | 41.2 | 172.3 | -39.5 | 0 | 0 | 0 | 0 | 113.9 | S2757 S2758 P2762 | S2757-S2760 PolarHBondContact O-N 3Å; S2757-S2760 PolarHBondContact O-OG 2.89Å; S2758-S2760 PolarHBondContact O-N 3.38Å; S2760-P2762 VanDerWaalsContact C-CD 3.48Å; S2760-P2762 WeakPolarHBondContact O-CD 3.39Å | ||
| 2761 | M | 23.6 | Very low | 48.7 | Very low | 167 Ų | 167 | 86.8 Ų | 86.8 | 82% | 0.823 | 54% | 0.539 | S | S | * | . | trans | -133.7 | 79.2 | 163.1 | -89.4 | -83.3 | -51.1 | 0 | 0 | 110.7 | L2759 S2763 | L2759-M2761 PolarHBondContact O-N 3.39Å; M2761-S2763 PolarHBondContact O-N 2.79Å; M2761-S2763 VanDerWaalsContact O-N 3.14Å | ||
| 2762 | P | 27.2 | Very low | 45.3 | Very low | 109.333 Ų | 109.333 | 92.3 Ų | 92.3 | 71% | 0.71 | 58% | 0.577 | S | S | * | * | trans | -75.9 | 119.7 | 152 | 12.6 | 0.4 | 0 | 0 | 0 | 107 | S2760 A2764 | S2760-P2762 VanDerWaalsContact C-CD 3.48Å; S2760-P2762 WeakPolarHBondContact O-CD 3.39Å; P2762-A2764 PolarHBondContact O-N 3.27Å | ||
| 2763 | S | 22.3 | Very low | 42.3 | Very low | 108.667 Ų | 108.667 | 97.4 Ų | 97.4 | 76% | 0.76 | 61% | 0.612 | S | S | * | * | trans | -49.8 | 101.8 | 163.1 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | M2761 A2765 | M2761-S2763 PolarHBondContact O-N 2.79Å; M2761-S2763 VanDerWaalsContact O-N 3.14Å; S2763-A2765 VanDerWaalsContact C-N 3.3Å; S2763-A2765 PolarHBondContact O-N 3.16Å | ||
| 2764 | A | 26.7 | Very low | 39.2 | Very low | 97 Ų | 97 | 107.2 Ų | 107.2 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | trans | -65 | 80.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | P2762 Q2766 | P2762-A2764 PolarHBondContact O-N 3.27Å; A2764-Q2766 VanDerWaalsContact C-N 3.32Å; A2764-Q2766 PolarHBondContact O-N 3.19Å | ||
| 2765 | A | 25.2 | Very low | 36.2 | Very low | 76.6667 Ų | 76.6667 | 110.4 Ų | 110.4 | 63% | 0.634 | 67% | 0.671 | S | S | * | * | trans | -89.5 | 87.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S2763 F2767 | S2763-A2765 VanDerWaalsContact C-N 3.3Å; S2763-A2765 PolarHBondContact O-N 3.16Å; A2765-F2767 PolarHBondContact O-N 3.32Å | ||
| 2766 | Q | 23.7 | Very low | 33.2 | Very low | 184 Ų | 184 | 118.2 Ų | 118.2 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -42 | 87.4 | 156.9 | -66.8 | 173.5 | -5.8 | 0 | 0 | 110.2 | A2764 | A2764-Q2766 VanDerWaalsContact C-N 3.32Å; A2764-Q2766 PolarHBondContact O-N 3.19Å | ||
| 2767 | F | 23.5 | Very low | 30.3 | Very low | 194.333 Ų | 194.333 | 119.5 Ų | 119.5 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | -75 | 103.5 | 128.6 | -113.5 | -91.9 | 0 | 0 | 0 | 108.7 | A2765 V2769 | A2765-F2767 PolarHBondContact O-N 3.32Å; F2767-V2769 PolarHBondContact O-N 3.31Å; F2767-V2769 VanDerWaalsContact O-N 3.11Å | |||
| 2768 | T | 23.1 | Very low | 28.1 | Very low | 122.667 Ų | 122.667 | 124 Ų | 124 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -87.3 | 124.5 | 169.3 | 1.4 | 0 | 0 | 0 | 0 | 108.3 | G2770 | T2768-G2770 PolarHBondContact O-N 3.39Š| ||
| 2769 | V | 25.8 | Very low | 26.5 | Very low | 132.333 Ų | 132.333 | 125.8 Ų | 125.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -81.6 | 102.8 | 161.8 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | F2767 A2771 | F2767-V2769 PolarHBondContact O-N 3.31Å; F2767-V2769 VanDerWaalsContact O-N 3.11Å; V2769-A2771 HydrophobicContact CG1-CB 4.37Å; V2769-A2771 PolarHBondContact O-N 3.04Å | ||
| 2770 | G | 25.7 | Very low | 25.6 | Very low | 76.3333 Ų | 76.3333 | 126.8 Ų | 126.8 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | -97.3 | 81.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T2768 S2772 | T2768-G2770 PolarHBondContact O-N 3.39Å; G2770-S2772 PolarHBondContact O-N 3.29Å | ||
| 2771 | A | 25.6 | Very low | 25.3 | Very low | 96.6667 Ų | 96.6667 | 130.9 Ų | 130.9 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -92.9 | 113.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V2769 P2773 | V2769-A2771 HydrophobicContact CG1-CB 4.37Å; V2769-A2771 PolarHBondContact O-N 3.04Å; A2771-P2773 WeakPolarHBondContact O-CD 3.09Å | ||
| 2772 | S | 23.1 | Very low | 25.2 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -98.5 | 128.4 | 166.9 | -169.8 | 0 | 0 | 0 | 0 | 110.5 | G2770 | G2770-S2772 PolarHBondContact O-N 3.29Š| ||
| 2773 | P | 29.6 | Very low | 25 | Very low | 116.667 Ų | 116.667 | 127.3 Ų | 127.3 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -85.6 | 131.1 | -178 | 28.9 | -21.6 | 0 | 0 | 0 | 111 | A2771 | A2771-P2773 WeakPolarHBondContact O-CD 3.09Š| ||
| 2774 | R | 25.5 | Very low | 25.1 | Very low | 239 Ų | 239 | 128 Ų | 128 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -90.5 | 113.4 | 161.3 | -70.5 | 176.9 | 171.3 | 174 | -3.4 | 109.1 | ||||
| 2775 | S | 25.2 | Very low | 24.9 | Very low | 97.3333 Ų | 97.3333 | 132 Ų | 132 | 68% | 0.681 | 80% | 0.795 | S | S | * | * | 83.7 | 123.4 | 120.9 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 2776 | D | 27 | Very low | 24.9 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 90.4 | 118.5 | 144.4 | -61.2 | -31.9 | 0 | 0 | 0 | 114.4 | ||||
| 2777 | G | 24.3 | Very low | 25.1 | Very low | 76.6667 Ų | 76.6667 | 131 Ų | 131 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 137.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2778 | N | 26.7 | Very low | 25.1 | Very low | 155.333 Ų | 155.333 | 128.8 Ų | 128.8 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -163.9 | 125.7 | 134.7 | -139.8 | 15.5 | 0 | 0 | 0 | 108.7 | ||||
| 2779 | A | 24.4 | Very low | 25.3 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 125.6 | 162 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2780 | D | 27.1 | Very low | 25.2 | Very low | 147.667 Ų | 147.667 | 128.4 Ų | 128.4 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -151.5 | 127.4 | 145.8 | -97.1 | -25 | 0 | 0 | 0 | 110.6 | ||||
| 2781 | E | 25 | Very low | 25.3 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -32.8 | 134.4 | 162.8 | -65.6 | -179.9 | 137.4 | 0 | 0 | 114.6 | ||||
| 2782 | G | 23.3 | Very low | 25.5 | Very low | 73 Ų | 73 | 133.1 Ų | 133.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 176.5 | 107.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2783 | C | 22.3 | Very low | 25.5 | Very low | 127.333 Ų | 127.333 | 134.7 Ų | 134.7 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | 49.2 | 116.6 | 143.5 | -84.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2784 | V | 24.4 | Very low | 25.4 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | 75 | 120.3 | 129.5 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | N2786 | V2784-N2786 PolarHBondContact O-N 3Š| |||
| 2785 | E | 23.2 | Very low | 25.4 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | 65.5 | 116.5 | 148.9 | -80 | 168.9 | 173.6 | 0 | 0 | 112.9 | ||||
| 2786 | N | 25.2 | Very low | 25.4 | Very low | 152.667 Ų | 152.667 | 132.9 Ų | 132.9 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | 175.8 | 118.3 | 110.7 | -112.7 | -10 | 0 | 0 | 0 | 112.4 | V2784 | V2784-N2786 PolarHBondContact O-N 3Š| |||
| 2787 | A | 26.2 | Very low | 25.4 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -57.5 | 125.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2788 | N | 24.1 | Very low | 25.6 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -97.1 | 139.9 | 148.8 | -77.9 | -27.5 | 0 | 0 | 0 | 113.8 | ||||
| 2789 | S | 26.4 | Very low | 25.5 | Very low | 95.3333 Ų | 95.3333 | 137.3 Ų | 137.3 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | trans | 84.4 | 119.1 | 132 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2790 | D | 25.7 | Very low | 25.6 | Very low | 149.667 Ų | 149.667 | 137.6 Ų | 137.6 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | 176.1 | 138.8 | 82.6 | -95.4 | -35.2 | 0 | 0 | 0 | 111.6 | |||||
| 2791 | V | 27.3 | Very low | 25.5 | Very low | 118.667 Ų | 118.667 | 137 Ų | 137 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | 116.2 | 104.7 | 147.3 | 168.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2792 | H | 29.1 | Very low | 25.5 | Very low | 153.667 Ų | 153.667 | 133.1 Ų | 133.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 103.7 | 124 | 138.7 | -82.6 | -95.1 | 0 | 0 | 0 | 117.4 | ||||
| 2793 | Q | 24.4 | Very low | 25.5 | Very low | 149.333 Ų | 149.333 | 133.1 Ų | 133.1 | 70% | 0.698 | 78% | 0.781 | S | S | * | * | 139.1 | 143.8 | 95 | -92 | 175.7 | 2 | 0 | 0 | 111.1 | |||||
| 2794 | N | 26.7 | Very low | 25.7 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | 172.9 | 118.7 | 113.8 | -76.6 | -25.5 | 0 | 0 | 0 | 110.2 | |||||
| 2795 | A | 24.9 | Very low | 25.7 | Very low | 87.6667 Ų | 87.6667 | 139.1 Ų | 139.1 | 73% | 0.725 | 78% | 0.784 | S | S | * | * | 107.8 | 143.1 | 97.2 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 2796 | E | 24.7 | Very low | 25.9 | Very low | 182.333 Ų | 182.333 | 134.9 Ų | 134.9 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | 123 | 136.6 | 136.2 | -76.3 | 176.9 | 147.3 | 0 | 0 | 114.9 | ||||
| 2797 | M | 27.8 | Very low | 25.8 | Very low | 155.667 Ų | 155.667 | 134.8 Ų | 134.8 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | 108.1 | 122.1 | 115.2 | -139.5 | 142.4 | 106.4 | 0 | 0 | 112.5 | |||||
| 2798 | D | 28.7 | Very low | 25.9 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | -177.8 | 127.2 | 105.1 | -102.2 | -17.1 | 0 | 0 | 0 | 116.5 | |||||
| 2799 | K | 24.7 | Very low | 25.9 | Very low | 188.667 Ų | 188.667 | 136.1 Ų | 136.1 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | -86.6 | 128.7 | 163.8 | -91.1 | 177.3 | 179 | 168 | 0 | 113.6 | ||||
| 2800 | A | 27.1 | Very low | 25.9 | Very low | 92.6667 Ų | 92.6667 | 134.8 Ų | 134.8 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | 160 | 123.7 | 132.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 2801 | C | 24 | Very low | 25.6 | Very low | 133.5 Ų | 133.5 | 131.8 Ų | 131.8 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 4 | 108.5 | 178.5 | -53.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2802 | A | 24.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -126.7 | 125.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2803 | G | 24.6 | Very low | 25.4 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -129.1 | 133.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2804 | K | 26.2 | Very low | 25.7 | Very low | 200 Ų | 200 | 127.6 Ų | 127.6 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | 131.8 | 115.5 | 136.4 | -88.3 | 177.8 | -179.4 | -179.3 | 0 | 115.2 | ||||
| 2805 | H | 24.6 | Very low | 26 | Very low | 176.5 Ų | 176.5 | 129.4 Ų | 129.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | 1.9 | 135.3 | 159.5 | -76.8 | -83.6 | 0 | 0 | 0 | 113.7 | D2807 | H2805-D2807 IonicContact ND1-OD1 3.87Š| ||
| 2806 | A | 26 | Very low | 26.6 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | -153.9 | 132 | 66.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | S2808 | A2806-S2808 PolarHBondContact O-N 3Š| |||
| 2807 | D | 24 | Very low | 27.1 | Very low | 151.5 Ų | 151.5 | 124.9 Ų | 124.9 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -52.4 | 125.2 | -173.5 | -61 | -53.9 | 0 | 0 | 0 | 114.9 | H2805 V2809 | H2805-D2807 IonicContact ND1-OD1 3.87Å; D2807-V2809 PolarHBondContact O-N 2.93Å | ||
| 2808 | S | 27.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -123 | 100.4 | 154.5 | 117.9 | 0 | 0 | 0 | 0 | 109.2 | A2806 G2810 | A2806-S2808 PolarHBondContact O-N 3Å; S2808-G2810 VanDerWaalsContact C-N 3.34Å; S2808-G2810 PolarHBondContact O-N 3.42Å | ||
| 2809 | V | 25.8 | Very low | 28.3 | Very low | 147 Ų | 147 | 118.4 Ų | 118.4 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | -62.9 | 116.4 | 164.9 | 173 | 0 | 0 | 0 | 0 | 108.6 | D2807 | D2807-V2809 PolarHBondContact O-N 2.93Š| ||
| 2810 | G | 24.5 | Very low | 29 | Very low | 70 Ų | 70 | 111.8 Ų | 111.8 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | -126 | 115.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2808 G2812 | S2808-G2810 VanDerWaalsContact C-N 3.34Å; S2808-G2810 PolarHBondContact O-N 3.42Å; G2810-G2812 PolarHBondContact O-N 2.83Å | ||
| 2811 | G | 21.4 | Very low | 29.9 | Very low | 85.5 Ų | 85.5 | 110.5 Ų | 110.5 | 88% | 0.881 | 70% | 0.696 | S | S | * | * | trans | -128.9 | 73.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2812 | G | 24.9 | Very low | 30.9 | Very low | 69.5 Ų | 69.5 | 112.9 Ų | 112.9 | 72% | 0.716 | 69% | 0.691 | S | S | * | * | trans | -129.5 | 90.8 | 176 | 0 | 0 | 0 | 0 | 0 | 108.8 | G2810 P2814 | G2810-G2812 PolarHBondContact O-N 2.83Å; G2812-P2814 VanDerWaalsContact O-CD 3.28Å; G2812-P2814 WeakPolarHBondContact O-CD 3.47Å | ||
| 2813 | E | 25.3 | Very low | 32.1 | Very low | 153.5 Ų | 153.5 | 111.5 Ų | 111.5 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | trans | -58.2 | 120.6 | 167.4 | -123.4 | -171.2 | 162.3 | 0 | 0 | 108.5 | R2815 | E2813-R2815 PolarHBondContact O-N 3.05Š| ||
| 2814 | P | 31.5 | Very low | 33.6 | Very low | 111.5 Ų | 111.5 | 110 Ų | 110 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | trans | -71.7 | 102.5 | 179.3 | 27 | -30.5 | 0 | 0 | 0 | 108.9 | G2812 I2816 | G2812-P2814 VanDerWaalsContact O-CD 3.28Å; G2812-P2814 WeakPolarHBondContact O-CD 3.47Å; P2814-I2816 PolarHBondContact O-N 2.86Å | ||
| 2815 | R | 33.9 | Very low | 35.3 | Very low | 181 Ų | 181 | 103 Ų | 103 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 108.3 | 171 | -126 | -179 | -172.9 | 169.6 | 1.2 | 108.9 | E2813 P2817 | E2813-R2815 PolarHBondContact O-N 3.05Å; R2815-P2817 WeakPolarHBondContact O-CD 3.39Å; R2815-P2817 WeakPolarHBondContact O-CG 3.31Å |
| 2816 | I | 36.6 | Very low | 37.4 | Very low | 94.5 Ų | 94.5 | 100.8 Ų | 100.8 | 49% | 0.485 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 121.8 | -172.2 | -60.3 | 174.8 | 0 | 0 | 0 | 109.2 | P2814 I2818 P2876 K2877 | P2814-I2816 PolarHBondContact O-N 2.86Å; I2816-I2818 PolarHBondContact O-N 3.27Å; I2816-P2876 HydrophobicContact CD1-CB 3.98Å; I2816-P2876 HydrophobicContact CD1-CG 3.72Å; I2816-P2876 HydrophobicContact CG1-CB 4.43Å; I2816-P2876 HydrophobicContact CG1-CG 4.47Å; I2816-K2877 HydrophobicContact CD1-CB 4.4Å; I2816-K2877 HydrophobicContact CD1-CD 4.24Å; I2816-K2877 HydrophobicContact CD1-CG 3.28Å; I2816-K2877 HydrophobicContact CG2-CG 4.32Å |
| 2817 | P | 35.7 | Very low | 39.8 | Very low | 82 Ų | 82 | 97.5 Ų | 97.5 | 53% | 0.532 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 146.2 | 173.9 | 7.6 | -1.6 | 0 | 0 | 0 | 110.3 | R2815 S2819 S2820 | R2815-P2817 WeakPolarHBondContact O-CD 3.39Å; R2815-P2817 WeakPolarHBondContact O-CG 3.31Å; P2817-S2819 PolarHBondContact O-N 3.01Å; P2817-S2819 VanDerWaalsContact O-N 3.11Å; P2817-S2820 WeakPolarHBondContact O-CB 3.34Å; P2817-S2820 PolarHBondContact O-N 3.01Å |
| 2818 | I | 41.6 | Very low | 42.6 | Very low | 84 Ų | 84 | 94 Ų | 94 | 43% | 0.431 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -60.7 | -13.7 | -170 | -61.3 | 169.8 | 0 | 0 | 0 | 112.5 | I2816 S2820 I2821 Y2935 Y2986 E2989 | I2816-I2818 PolarHBondContact O-N 3.27Å; I2818-S2820 VanDerWaalsContact C-N 3.33Å; I2818-S2820 PolarHBondContact O-N 3.19Å; I2818-S2820 VanDerWaalsContact O-N 3.13Å; I2818-I2821 HydrophobicContact CG2-CD1 4.01Å; I2818-I2821 WeakPolarHBondContact O-CD1 3.45Å; I2818-I2821 WeakPolarHBondContact O-CG1 3.34Å; I2818-I2821 PolarHBondContact O-N 2.8Å; I2818-Y2935 HydrophobicContact CD1-CE1 4.1Å; I2818-Y2986 HydrophobicContact CD1-CD2 4.47Å; I2818-E2989 WeakPolarHBondContact CA-OE1 3.21Å; I2818-E2989 PolarHBondContact N-OE1 2.92Å |
| 2819 | S | 38.7 | Very low | 45.3 | Very low | 77.5 Ų | 77.5 | 90.1 Ų | 90.1 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -73.3 | -1.1 | 178.3 | 56.1 | 0 | 0 | 0 | 0 | 115.8 | P2817 I2821 E2989 | P2817-S2819 PolarHBondContact O-N 3.01Å; P2817-S2819 VanDerWaalsContact O-N 3.11Å; S2819-I2821 VanDerWaalsContact C-N 3.3Å; S2819-I2821 PolarHBondContact O-N 3.44Å; S2819-E2989 PolarHBondContact N-OE1 2.85Å; S2819-E2989 PolarHBondContact OG-OE1 2.94Å |
| 2820 | S | 39.8 | Very low | 48 | Very low | 50.5 Ų | 50.5 | 85.4 Ų | 85.4 | 35% | 0.353 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -84.1 | 6.9 | -171.7 | -70.9 | 0 | 0 | 0 | 0 | 115.8 | P2817 I2818 K2822 K2877 | P2817-S2820 WeakPolarHBondContact O-CB 3.34Å; P2817-S2820 PolarHBondContact O-N 3.01Å; I2818-S2820 VanDerWaalsContact C-N 3.33Å; I2818-S2820 PolarHBondContact O-N 3.19Å; I2818-S2820 VanDerWaalsContact O-N 3.13Å; S2820-K2822 VanDerWaalsContact C-N 3.29Å; S2820-K2822 PolarHBondContact O-N 2.93Å; S2820-K2877 PolarHBondContact O-NZ 2.6Å |
| 2821 | I | 46 | Very low | 51 | Low | 63.5 Ų | 63.5 | 84.7 Ų | 84.7 | 33% | 0.326 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -68.1 | -20 | 175.8 | -65 | 169.6 | 0 | 0 | 0 | 112.1 | Q2557 P2559 I2818 S2819 S2823 L2824 A2880 A2881 | Q2557-I2821 WeakPolarHBondContact O-CG2 3.26Å; P2559-I2821 HydrophobicContact CG-CG2 4.43Å; I2818-I2821 HydrophobicContact CG2-CD1 4.01Å; I2818-I2821 WeakPolarHBondContact O-CD1 3.45Å; I2818-I2821 WeakPolarHBondContact O-CG1 3.34Å; I2818-I2821 PolarHBondContact O-N 2.8Å; S2819-I2821 VanDerWaalsContact C-N 3.3Å; S2819-I2821 PolarHBondContact O-N 3.44Å; I2821-S2823 VanDerWaalsContact C-N 3.26Å; I2821-S2823 PolarHBondContact O-N 3.39Å; I2821-S2823 VanDerWaalsContact O-N 3.14Å; I2821-L2824 HydrophobicContact CG2-CD1 4.2Å; I2821-A2880 HydrophobicContact CD1-CB 4.22Å; I2821-A2880 HydrophobicContact CG1-CB 4.21Å; I2821-A2881 HydrophobicContact CD1-CB 4.4Å; I2821-A2881 HydrophobicContact CG2-CB 3.97Å |
| 2822 | K | 46 | Very low | 54.1 | Low | 184 Ų | 184 | 81.1 Ų | 81.1 | 80% | 0.8 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -67.9 | -7.2 | -174.7 | -70.5 | -175.4 | 178 | -179.2 | 0 | 116.3 | S2820 | S2820-K2822 VanDerWaalsContact C-N 3.29Å; S2820-K2822 PolarHBondContact O-N 2.93Å |
| 2823 | S | 49.7 | Very low | 57.2 | Low | 80 Ų | 80 | 77.8 Ų | 77.8 | 56% | 0.559 | 43% | 0.43 | S | S | * | . | trans | -111.7 | 28.5 | -173.9 | 80.5 | 0 | 0 | 0 | 0 | 114.9 | I2821 K2877 | I2821-S2823 VanDerWaalsContact C-N 3.26Å; I2821-S2823 PolarHBondContact O-N 3.39Å; I2821-S2823 VanDerWaalsContact O-N 3.14Å; S2823-K2877 PolarHBondContact O-NZ 3.45Å; S2823-K2877 PolarHBondContact OG-NZ 2.87Å | ||
| 2824 | L | 55 | Low | 60.2 | Low | 42 Ų | 42 | 70.7 Ų | 70.7 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | trans | -85.3 | 125.8 | 166.5 | -101.2 | 111.9 | 0 | 0 | 0 | 108.3 | P2559 I2821 L2827 P2875 K2877 L2878 | P2559-L2824 HydrophobicContact CB-CB 4.33Å; P2559-L2824 HydrophobicContact CB-CD1 3.89Å; P2559-L2824 HydrophobicContact CB-CD2 4.25Å; P2559-L2824 HydrophobicContact CG-CD1 3.78Å; P2559-L2824 HydrophobicContact CG-CD2 4.23Å; I2821-L2824 HydrophobicContact CG2-CD1 4.2Å; L2824-L2827 HydrophobicContact CD2-CD2 3.92Å; L2824-L2827 HydrophobicContact CD2-CG 4.22Å; L2824-P2875 HydrophobicContact CD1-CG 4.5Å; L2824-K2877 HydrophobicContact CD1-CB 3.88Å; L2824-K2877 HydrophobicContact CD1-CD 3.97Å; L2824-K2877 HydrophobicContact CD1-CG 4.36Å; L2824-K2877 HydrophobicContact CD2-CB 3.81Å; L2824-K2877 HydrophobicContact CG-CB 3.92Å; L2824-L2878 HydrophobicContact CD2-CB 4.22Å | ||
| 2825 | G | 63.4 | Low | 63 | Low | 53 Ų | 53 | 65.4 Ų | 65.4 | 55% | 0.546 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 175.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2827 | G2825-L2827 PolarHBondContact O-N 2.98Å; G2825-L2827 VanDerWaalsContact O-N 3.11Å |
| 2826 | P | 68.4 | Low | 65.7 | Low | 128.5 Ų | 128.5 | 56.7 Ų | 56.7 | 83% | 0.834 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 121.2 | 177.4 | 23.4 | -32.1 | 0 | 0 | 0 | 110 | ||
| 2827 | L | 75.8 | Confident | 68.5 | Low | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -73 | 143.3 | 179.8 | -68.6 | 175.5 | 0 | 0 | 0 | 110 | P2559 L2560 L2824 G2825 Q2831 Q2832 L2835 L2878 | P2559-L2827 HydrophobicContact CB-CD1 4.22Å; P2559-L2827 HydrophobicContact CG-CD1 4.25Å; L2560-L2827 HydrophobicContact CD2-CD1 4.43Å; L2824-L2827 HydrophobicContact CD2-CD2 3.92Å; L2824-L2827 HydrophobicContact CD2-CG 4.22Å; G2825-L2827 PolarHBondContact O-N 2.98Å; G2825-L2827 VanDerWaalsContact O-N 3.11Å; L2827-Q2831 HydrophobicContact CB-CB 4.25Å; L2827-Q2831 HydrophobicContact CD2-CB 4.19Å; L2827-Q2832 HydrophobicContact CB-CG 3.56Å; L2827-Q2832 HydrophobicContact CD1-CG 4.16Å; L2827-L2835 HydrophobicContact CD1-CD1 4.16Å; L2827-L2878 HydrophobicContact CD1-CD1 4.29Å; L2827-L2878 HydrophobicContact CD2-CD1 3.92Å; L2827-L2878 HydrophobicContact CD2-CD2 4.34Å |
| 2828 | T | 82.4 | Confident | 71.2 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 156.6 | 171.7 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | Q2830 Q2831 Q2832 | T2828-Q2830 PolarHBondContact O-N 2.92Å; T2828-Q2830 VanDerWaalsContact O-N 3.17Å; T2828-Q2831 WeakPolarHBondContact O-CA 3.42Å; T2828-Q2831 WeakPolarHBondContact O-CB 3.28Å; T2828-Q2831 PolarHBondContact O-N 3.38Å; T2828-Q2831 WeakPolarHBondContact OG1-CG 3.31Å; T2828-Q2831 PolarHBondContact OG1-N 2.88Å; T2828-Q2831 PolarHBondContact OG1-OE1 3.1Å; T2828-Q2832 WeakPolarHBondContact O-CG 3.38Å; T2828-Q2832 PolarHBondContact O-N 2.89Å |
| 2829 | F | 83.9 | Confident | 73.6 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -51.1 | -41.9 | 176.2 | 176.7 | -100.1 | 0 | 0 | 0 | 112.4 | I2698 K2713 V2714 L2717 L2755 Q2831 Q2832 L2833 | I2698-F2829 HydrophobicContact CG2-CE2 4.19Å; I2698-F2829 HydrophobicContact CG2-CZ 3.99Å; K2713-F2829 HydrophobicContact CB-CD2 4.2Å; K2713-F2829 HydrophobicContact CB-CE2 4.25Å; V2714-F2829 HydrophobicContact CG2-CD2 3.91Å; V2714-F2829 HydrophobicContact CG2-CE2 4.49Å; L2717-F2829 HydrophobicContact CD2-CE2 3.86Å; L2717-F2829 HydrophobicContact CD2-CZ 3.9Å; L2755-F2829 HydrophobicContact CD2-CZ 4.34Å; F2829-Q2831 VanDerWaalsContact C-N 3.32Å; F2829-Q2831 PolarHBondContact O-N 3.14Å; F2829-Q2832 PolarHBondContact O-N 3.08Å; F2829-Q2832 VanDerWaalsContact O-N 3.17Å; F2829-L2833 WeakPolarHBondContact O-CB 3.24Å; F2829-L2833 PolarHBondContact O-N 3.19Å |
| 2830 | Q | 84.2 | Confident | 76.3 | Confident | 47.5 Ų | 47.5 | 40.8 Ų | 40.8 | 22% | 0.222 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -33.3 | 178.2 | -69.4 | -63.7 | -33.8 | 0 | 0 | 112.9 | L2755 Q2756 L2759 T2828 P2834 | L2755-Q2830 PolarHBondContact O-NE2 3.23Å; Q2756-Q2830 VanDerWaalsContact OE1-OE1 3.11Å; L2759-Q2830 HydrophobicContact CB-CG 4.47Å; L2759-Q2830 HydrophobicContact CD2-CG 3.7Å; T2828-Q2830 PolarHBondContact O-N 2.92Å; T2828-Q2830 VanDerWaalsContact O-N 3.17Å; Q2830-P2834 WeakPolarHBondContact O-CD 3.37Å |
| 2831 | Q | 86.3 | Confident | 79 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -75 | -29 | 174.6 | -69.2 | 171.2 | -30.3 | 0 | 0 | 112.4 | L2827 T2828 F2829 L2878 Y2882 | L2827-Q2831 HydrophobicContact CB-CB 4.25Å; L2827-Q2831 HydrophobicContact CD2-CB 4.19Å; T2828-Q2831 WeakPolarHBondContact O-CA 3.42Å; T2828-Q2831 WeakPolarHBondContact O-CB 3.28Å; T2828-Q2831 PolarHBondContact O-N 3.38Å; T2828-Q2831 WeakPolarHBondContact OG1-CG 3.31Å; T2828-Q2831 PolarHBondContact OG1-N 2.88Å; T2828-Q2831 PolarHBondContact OG1-OE1 3.1Å; F2829-Q2831 VanDerWaalsContact C-N 3.32Å; F2829-Q2831 PolarHBondContact O-N 3.14Å; Q2831-L2878 HydrophobicContact CB-CD2 4.06Å; Q2831-L2878 HydrophobicContact CG-CD2 3.8Å; Q2831-Y2882 VanDerWaalsContact CA-OH 3.26Å; Q2831-Y2882 WeakPolarHBondContact CA-OH 3.43Å; Q2831-Y2882 WeakPolarHBondContact O-CE1 3.35Å; Q2831-Y2882 PolarHBondContact O-OH 3.07Å |
| 2832 | Q | 87.1 | Confident | 81.3 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81 | -30.9 | 178 | -64.1 | 175.8 | -43 | 0 | 0 | 112.4 | L2560 L2827 T2828 F2829 L2835 I2836 | L2560-Q2832 HydrophobicContact CD2-CG 4.14Å; L2827-Q2832 HydrophobicContact CB-CG 3.56Å; L2827-Q2832 HydrophobicContact CD1-CG 4.16Å; T2828-Q2832 WeakPolarHBondContact O-CG 3.38Å; T2828-Q2832 PolarHBondContact O-N 2.89Å; F2829-Q2832 PolarHBondContact O-N 3.08Å; F2829-Q2832 VanDerWaalsContact O-N 3.17Å; Q2832-L2835 WeakPolarHBondContact O-CB 3.41Å; Q2832-L2835 PolarHBondContact O-N 2.97Å; Q2832-L2835 VanDerWaalsContact O-N 3.09Å; Q2832-I2836 HydrophobicContact CB-CD1 4.15Å; Q2832-I2836 VanDerWaalsContact O-CG1 3.32Å; Q2832-I2836 WeakPolarHBondContact O-CG1 3.39Å; Q2832-I2836 PolarHBondContact O-N 3.1Å |
| 2833 | L | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53 | -49.6 | -174.6 | 176.5 | 64.5 | 0 | 0 | 0 | 113.7 | L2717 F2752 L2755 Q2756 F2829 L2835 I2836 F2837 | L2717-L2833 HydrophobicContact CD2-CD1 3.62Å; F2752-L2833 HydrophobicContact CE2-CG 4.4Å; L2755-L2833 HydrophobicContact CB-CD1 4.14Å; L2755-L2833 HydrophobicContact CB-CD2 3.74Å; L2755-L2833 HydrophobicContact CD1-CD1 3.95Å; Q2756-L2833 HydrophobicContact CG-CD2 3.88Å; F2829-L2833 WeakPolarHBondContact O-CB 3.24Å; F2829-L2833 PolarHBondContact O-N 3.19Å; L2833-L2835 VanDerWaalsContact C-N 3.35Å; L2833-L2835 PolarHBondContact O-N 3.01Å; L2833-I2836 PolarHBondContact O-N 3.4Å; L2833-F2837 HydrophobicContact CD1-CD2 3.84Å; L2833-F2837 HydrophobicContact CD1-CE2 3.63Å; L2833-F2837 WeakPolarHBondContact O-CD2 3.33Å; L2833-F2837 PolarHBondContact O-N 3.14Å; L2833-F2837 VanDerWaalsContact O-N 3.17Å |
| 2834 | P | 89.8 | Confident | 85.8 | Confident | 4.5 Ų | 4.5 | 23.2 Ų | 23.2 | 3% | 0.029 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.6 | -22.9 | 33.3 | 0 | 0 | 0 | 113.2 | Q2830 I2836 F2837 C2838 I2869 | Q2830-P2834 WeakPolarHBondContact O-CD 3.37Å; P2834-I2836 VanDerWaalsContact C-N 3.33Å; P2834-I2836 PolarHBondContact O-N 2.92Å; P2834-F2837 PolarHBondContact O-N 3.19Å; P2834-C2838 PolarHBondContact O-N 3.4Å; P2834-C2838 PolarHBondContact O-SG 3.08Å; P2834-C2838 VanDerWaalsContact O-SG 3.33Å; P2834-I2869 HydrophobicContact CB-CD1 4.43Å; P2834-I2869 HydrophobicContact CB-CG1 3.87Å |
| 2835 | L | 89.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 179 | -63 | 170.6 | 0 | 0 | 0 | 111.2 | P2559 L2560 L2827 Q2832 L2833 F2837 C2838 H2839 Y2882 M2885 | P2559-L2835 HydrophobicContact CG-CD1 4.35Å; L2560-L2835 HydrophobicContact CD1-CB 3.47Å; L2560-L2835 VanDerWaalsContact CD1-CB 3.47Å; L2560-L2835 HydrophobicContact CD1-CD1 3.97Å; L2560-L2835 HydrophobicContact CD1-CG 4.34Å; L2560-L2835 HydrophobicContact CG-CB 4.35Å; L2560-L2835 HydrophobicContact CG-CD1 3.96Å; L2827-L2835 HydrophobicContact CD1-CD1 4.16Å; Q2832-L2835 WeakPolarHBondContact O-CB 3.41Å; Q2832-L2835 PolarHBondContact O-N 2.97Å; Q2832-L2835 VanDerWaalsContact O-N 3.09Å; L2833-L2835 VanDerWaalsContact C-N 3.35Å; L2833-L2835 PolarHBondContact O-N 3.01Å; L2835-F2837 VanDerWaalsContact C-N 3.3Å; L2835-F2837 PolarHBondContact O-N 3.11Å; L2835-C2838 WeakPolarHBondContact O-CB 3.44Å; L2835-C2838 PolarHBondContact O-N 2.96Å; L2835-C2838 VanDerWaalsContact O-N 3.12Å; L2835-H2839 PolarHBondContact O-N 3.22Å; L2835-H2839 VanDerWaalsContact O-N 3.13Å; L2835-H2839 PolarHBondContact O-ND1 3.05Å; L2835-Y2882 HydrophobicContact CD1-CE1 4.11Å; L2835-Y2882 HydrophobicContact CD2-CD1 3.52Å; L2835-Y2882 HydrophobicContact CD2-CE1 3.82Å; L2835-Y2882 HydrophobicContact CG-CD1 3.94Å; L2835-Y2882 HydrophobicContact CG-CE1 3.68Å; L2835-M2885 HydrophobicContact CD2-CE 4.26Å; L2835-M2885 HydrophobicContact CD2-CG 3.62Å |
| 2836 | I | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 178 | -66.9 | 163.3 | 0 | 0 | 0 | 110.3 | L2560 V2714 L2717 N2718 L2721 Q2832 L2833 P2834 C2838 H2839 L2840 | L2560-I2836 HydrophobicContact CD1-CG1 4.34Å; V2714-I2836 HydrophobicContact CG1-CD1 3.81Å; L2717-I2836 HydrophobicContact CD2-CD1 3.83Å; L2717-I2836 HydrophobicContact CD2-CG2 4.28Å; L2717-I2836 HydrophobicContact CG-CG2 4.34Å; N2718-I2836 WeakPolarHBondContact OD1-CG2 3.28Å; L2721-I2836 HydrophobicContact CD1-CG2 3.49Å; L2721-I2836 VanDerWaalsContact CD1-CG2 3.46Å; Q2832-I2836 HydrophobicContact CB-CD1 4.15Å; Q2832-I2836 VanDerWaalsContact O-CG1 3.32Å; Q2832-I2836 WeakPolarHBondContact O-CG1 3.39Å; Q2832-I2836 PolarHBondContact O-N 3.1Å; L2833-I2836 PolarHBondContact O-N 3.4Å; P2834-I2836 VanDerWaalsContact C-N 3.33Å; P2834-I2836 PolarHBondContact O-N 2.92Å; I2836-C2838 VanDerWaalsContact C-N 3.3Å; I2836-C2838 PolarHBondContact O-N 3.41Å; I2836-H2839 PolarHBondContact O-N 3.38Å; I2836-H2839 VanDerWaalsContact O-N 3.16Å; I2836-L2840 PolarHBondContact O-N 3.09Å |
| 2837 | F | 93.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.7 | -32 | 176 | -88.5 | -100.3 | 0 | 0 | 0 | 113 | L2721 L2748 L2751 F2752 L2755 L2833 P2834 L2835 H2839 L2840 L2841 F2865 | L2721-F2837 HydrophobicContact CD1-CD2 4.1Å; L2721-F2837 HydrophobicContact CD1-CE2 3.84Å; L2721-F2837 HydrophobicContact CD1-CZ 4.21Å; L2721-F2837 HydrophobicContact CD2-CE1 4.31Å; L2721-F2837 HydrophobicContact CD2-CE2 4.34Å; L2721-F2837 HydrophobicContact CD2-CZ 3.89Å; L2748-F2837 WeakPolarHBondContact O-CE1 3.29Å; L2751-F2837 HydrophobicContact CG-CZ 4.48Å; F2752-F2837 HydrophobicContact CB-CD1 4.22Å; F2752-F2837 HydrophobicContact CB-CE1 3.67Å; F2752-F2837 HydrophobicContact CB-CE2 4.32Å; F2752-F2837 HydrophobicContact CB-CZ 3.71Å; F2752-F2837 HydrophobicContact CD2-CB 4.27Å; F2752-F2837 AromaticContact CD2-CD1 3.84Å; F2752-F2837 HydrophobicContact CD2-CD1 3.84Å; F2752-F2837 AromaticContact CD2-CD2 3.59Å; F2752-F2837 HydrophobicContact CD2-CD2 3.59Å; F2752-F2837 HydrophobicContact CD2-CE1 4.02Å; F2752-F2837 AromaticContact CD2-CE2 3.77Å; F2752-F2837 HydrophobicContact CD2-CE2 3.77Å; F2752-F2837 AromaticContact CD2-CG 3.61Å; F2752-F2837 HydrophobicContact CD2-CG 3.61Å; F2752-F2837 AromaticContact CD2-CZ 3.97Å; F2752-F2837 HydrophobicContact CD2-CZ 3.97Å; F2752-F2837 HydrophobicContact CE2-CB 4.36Å; F2752-F2837 HydrophobicContact CE2-CD2 4.18Å; F2752-F2837 HydrophobicContact CE2-CG 4.16Å; F2752-F2837 HydrophobicContact CG-CD1 4.37Å; F2752-F2837 HydrophobicContact CG-CE1 4.28Å; F2752-F2837 HydrophobicContact CG-CZ 4.36Å; L2755-F2837 HydrophobicContact CD1-CE2 4.43Å; L2833-F2837 HydrophobicContact CD1-CD2 3.84Å; L2833-F2837 HydrophobicContact CD1-CE2 3.63Å; L2833-F2837 WeakPolarHBondContact O-CD2 3.33Å; L2833-F2837 PolarHBondContact O-N 3.14Å; L2833-F2837 VanDerWaalsContact O-N 3.17Å; P2834-F2837 PolarHBondContact O-N 3.19Å; L2835-F2837 VanDerWaalsContact C-N 3.3Å; L2835-F2837 PolarHBondContact O-N 3.11Å; F2837-H2839 VanDerWaalsContact C-N 3.32Å; F2837-L2840 HydrophobicContact CD1-CD2 4.11Å; F2837-L2840 HydrophobicContact CE1-CD2 4.24Å; F2837-L2840 WeakPolarHBondContact O-CB 3.42Å; F2837-L2840 PolarHBondContact O-N 3.16Å; F2837-L2841 WeakPolarHBondContact O-CB 3.47Å; F2837-L2841 WeakPolarHBondContact O-CG 3.38Å; F2837-L2841 PolarHBondContact O-N 3.25Å; F2837-F2865 HydrophobicContact CB-CE2 3.95Å |
| 2838 | C | 93.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 170.3 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | P2834 L2835 I2836 L2840 L2841 H2842 I2869 M2885 L2889 | P2834-C2838 PolarHBondContact O-N 3.4Å; P2834-C2838 PolarHBondContact O-SG 3.08Å; P2834-C2838 VanDerWaalsContact O-SG 3.33Å; L2835-C2838 WeakPolarHBondContact O-CB 3.44Å; L2835-C2838 PolarHBondContact O-N 2.96Å; L2835-C2838 VanDerWaalsContact O-N 3.12Å; I2836-C2838 VanDerWaalsContact C-N 3.3Å; I2836-C2838 PolarHBondContact O-N 3.41Å; C2838-L2840 VanDerWaalsContact C-N 3.35Å; C2838-L2841 PolarHBondContact O-N 3.1Å; C2838-H2842 WeakPolarHBondContact O-CB 3.28Å; C2838-H2842 PolarHBondContact O-N 3.08Å; C2838-I2869 VanDerWaalsContact SG-CD1 3.55Å; C2838-M2885 HydrophobicContact CB-CB 3.88Å; C2838-M2885 HydrophobicContact CB-CG 4.23Å; C2838-M2885 HydrophobicContact CB-SD 4.03Å; C2838-L2889 HydrophobicContact CB-CD1 4.17Å; C2838-L2889 WeakPolarHBondContact O-CD2 3.23Å |
| 2839 | H | 92.1 | Very high | 91.1 | Very high | 0.5 Ų | 0.5 | 12.6 Ų | 12.6 | 0% | 0.002 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 176.4 | -68.3 | 78.3 | 0 | 0 | 0 | 112.8 | M2555 F2561 I2568 L2571 L2835 I2836 F2837 L2841 H2842 C2843 M2885 | M2555-H2839 VanDerWaalsContact CE-CA 3.41Å; M2555-H2839 HydrophobicContact CE-CB 3.79Å; M2555-H2839 WeakPolarHBondContact CE-CD2 3.32Å; F2561-H2839 AromaticContact CD2-NE2 3.53Å; F2561-H2839 VanDerWaalsContact CD2-NE2 3.29Å; F2561-H2839 WeakPolarHBondContact CD2-NE2 3.34Å; F2561-H2839 AromaticContact CE2-CD2 3.31Å; F2561-H2839 WeakPolarHBondContact CE2-CD2 3.23Å; F2561-H2839 AromaticContact CE2-NE2 2.89Å; F2561-H2839 WeakPolarHBondContact CE2-NE2 3.2Å; F2561-H2839 AromaticContact CZ-CD2 3.77Å; F2561-H2839 AromaticContact CZ-NE2 3.78Å; I2568-H2839 HydrophobicContact CD1-CB 3.43Å; I2568-H2839 VanDerWaalsContact CD1-CD2 3.44Å; I2568-H2839 WeakPolarHBondContact CD1-CD2 3.4Å; I2568-H2839 HydrophobicContact CG1-CB 4.16Å; L2571-H2839 HydrophobicContact CD1-CB 4.43Å; L2835-H2839 PolarHBondContact O-N 3.22Å; L2835-H2839 VanDerWaalsContact O-N 3.13Å; L2835-H2839 PolarHBondContact O-ND1 3.05Å; I2836-H2839 PolarHBondContact O-N 3.38Å; I2836-H2839 VanDerWaalsContact O-N 3.16Å; F2837-H2839 VanDerWaalsContact C-N 3.32Å; H2839-L2841 VanDerWaalsContact C-N 3.35Å; H2839-L2841 PolarHBondContact O-N 3.08Å; H2839-H2842 WeakPolarHBondContact O-CB 3.31Å; H2839-H2842 PolarHBondContact O-N 3.06Å; H2839-H2842 VanDerWaalsContact O-N 3.16Å; H2839-C2843 WeakPolarHBondContact O-CB 3.47Å; H2839-C2843 PolarHBondContact O-N 3.33Å; H2839-C2843 PolarHBondContact O-SG 3.46Å; H2839-C2843 VanDerWaalsContact O-SG 3.34Å; H2839-M2885 WeakPolarHBondContact CE1-CE 3.43Å |
| 2840 | L | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.9 | -49.6 | 172.2 | 174.3 | 66.8 | 0 | 0 | 0 | 111.6 | L2571 L2721 A2725 L2748 I2836 F2837 C2838 H2842 C2843 L2844 | L2571-L2840 HydrophobicContact CD1-CB 4.25Å; L2721-L2840 HydrophobicContact CB-CD1 4.15Å; L2721-L2840 HydrophobicContact CB-CD2 4.19Å; L2721-L2840 HydrophobicContact CD1-CD2 4.24Å; L2721-L2840 HydrophobicContact CD2-CD2 3.87Å; L2721-L2840 HydrophobicContact CG-CD2 4.31Å; L2721-L2840 WeakPolarHBondContact O-CD1 3.35Å; A2725-L2840 HydrophobicContact CB-CD1 3.7Å; L2748-L2840 HydrophobicContact CD1-CD2 4.09Å; L2748-L2840 HydrophobicContact CD2-CD2 3.62Å; L2748-L2840 HydrophobicContact CG-CD2 4.41Å; I2836-L2840 PolarHBondContact O-N 3.09Å; F2837-L2840 HydrophobicContact CD1-CD2 4.11Å; F2837-L2840 HydrophobicContact CE1-CD2 4.24Å; F2837-L2840 WeakPolarHBondContact O-CB 3.42Å; F2837-L2840 PolarHBondContact O-N 3.16Å; C2838-L2840 VanDerWaalsContact C-N 3.35Å; L2840-H2842 VanDerWaalsContact C-N 3.3Å; L2840-H2842 PolarHBondContact O-N 3Å; L2840-C2843 WeakPolarHBondContact O-CB 3.32Å; L2840-C2843 PolarHBondContact O-N 3.12Å; L2840-C2843 VanDerWaalsContact O-N 3.11Å; L2840-L2844 HydrophobicContact CD1-CD1 3.92Å; L2840-L2844 HydrophobicContact CD1-CG 4.4Å; L2840-L2844 HydrophobicContact CG-CD1 4.15Å; L2840-L2844 WeakPolarHBondContact O-CG 3.38Å; L2840-L2844 PolarHBondContact O-N 3.21Å |
| 2841 | L | 96.2 | Very high | 91.8 | Very high | 0.5 Ų | 0.5 | 14 Ų | 14 | 0% | 0.003 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64 | -34.5 | 178.7 | -74.1 | 176.2 | 0 | 0 | 0 | 111.7 | F2837 C2838 H2839 L2844 R2845 W2856 M2859 F2865 L2889 | F2837-L2841 WeakPolarHBondContact O-CB 3.47Å; F2837-L2841 WeakPolarHBondContact O-CG 3.38Å; F2837-L2841 PolarHBondContact O-N 3.25Å; C2838-L2841 PolarHBondContact O-N 3.1Å; H2839-L2841 VanDerWaalsContact C-N 3.35Å; H2839-L2841 PolarHBondContact O-N 3.08Å; L2841-L2844 CarbonylContact O-C 3.38Å; L2841-L2844 VanDerWaalsContact O-C 3.28Å; L2841-L2844 PolarHBondContact O-N 3.01Å; L2841-R2845 PolarHBondContact O-N 3.04Å; L2841-R2845 VanDerWaalsContact O-N 3.1Å; L2841-W2856 HydrophobicContact CD2-CG 4.39Å; L2841-W2856 PolarHBondContact O-NE1 3.22Å; L2841-M2859 HydrophobicContact CD2-CB 4.24Å; L2841-M2859 HydrophobicContact CD2-CE 3.82Å; L2841-M2859 HydrophobicContact CD2-SD 4.1Å; L2841-M2859 HydrophobicContact CG-CE 4.47Å; L2841-F2865 HydrophobicContact CD1-CE1 3.83Å; L2841-F2865 HydrophobicContact CD1-CE2 4.23Å; L2841-F2865 HydrophobicContact CD1-CZ 3.57Å; L2841-L2889 HydrophobicContact CB-CD1 4.13Å; L2841-L2889 HydrophobicContact CB-CD2 3.76Å; L2841-L2889 HydrophobicContact CD1-CD1 4.04Å |
| 2842 | H | 95.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 11.4 Ų | 11.4 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.6 | -38.2 | 173.1 | -176.5 | 76.6 | 0 | 0 | 0 | 112.4 | L2550 D2551 M2555 C2838 H2839 L2840 L2844 R2845 L2889 D2892 | L2550-H2842 PolarHBondContact O-NE2 3.15Å; L2550-H2842 VanDerWaalsContact O-NE2 3.09Å; D2551-H2842 PolarHBondContact O-CE1 2.93Å; D2551-H2842 VanDerWaalsContact O-CE1 3.26Å; D2551-H2842 PolarHBondContact O-NE2 3.26Å; M2555-H2842 HydrophobicContact CE-CB 3.87Å; M2555-H2842 HydrophobicContact SD-CB 3.54Å; M2555-H2842 VanDerWaalsContact SD-CB 3.6Å; M2555-H2842 WeakPolarHBondContact SD-CB 3.44Å; C2838-H2842 WeakPolarHBondContact O-CB 3.28Å; C2838-H2842 PolarHBondContact O-N 3.08Å; H2839-H2842 WeakPolarHBondContact O-CB 3.31Å; H2839-H2842 PolarHBondContact O-N 3.06Å; H2839-H2842 VanDerWaalsContact O-N 3.16Å; L2840-H2842 VanDerWaalsContact C-N 3.3Å; L2840-H2842 PolarHBondContact O-N 3Å; H2842-L2844 VanDerWaalsContact C-N 3.28Å; H2842-L2844 PolarHBondContact O-N 2.85Å; H2842-R2845 PolarHBondContact CE1-NE 3.08Å; H2842-R2845 PolarHBondContact CE1-NH1 3.36Å; H2842-R2845 PolarHBondContact CE1-NH2 3.13Å; H2842-R2845 VanDerWaalsContact ND1-CD 3.34Å; H2842-R2845 WeakPolarHBondContact ND1-CD 3.48Å; H2842-R2845 PolarHBondContact ND1-NE 3.44Å; H2842-R2845 PolarHBondContact NE2-NH2 3.45Å; H2842-R2845 VanDerWaalsContact NE2-NH2 3.12Å; H2842-R2845 WeakPolarHBondContact O-CB 3.42Å; H2842-R2845 VanDerWaalsContact O-CD 3.28Å; H2842-R2845 WeakPolarHBondContact O-CD 3.3Å; H2842-R2845 WeakPolarHBondContact O-CG 3.41Å; H2842-R2845 PolarHBondContact O-N 3.47Å; H2842-R2845 VanDerWaalsContact O-N 3.15Å; H2842-R2845 PolarHBondContact O-NE 3.44Å; H2842-L2889 HydrophobicContact CB-CD2 4.03Å; H2842-D2892 IonicContact CE1-OD1 2.89Å; H2842-D2892 IonicContact CE1-OD2 3.69Å; H2842-D2892 IonicContact CG-OD2 3.75Å; H2842-D2892 IonicContact ND1-OD1 3.2Å; H2842-D2892 PolarHBondContact ND1-OD1 3.07Å; H2842-D2892 IonicContact ND1-OD2 3.43Å; H2842-D2892 PolarHBondContact ND1-OD2 3.38Å |
| 2843 | C | 93.1 | Very high | 92.6 | Very high | 1.5 Ų | 1.5 | 11.4 Ų | 11.4 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 171.3 | -118.5 | 0 | 0 | 0 | 0 | 112 | Y2506 L2571 Y2572 H2839 L2840 R2845 | Y2506-C2843 PolarHBondContact OH-O 2.69Å; Y2506-C2843 PolarHBondContact OH-SG 2.9Å; Y2506-C2843 VanDerWaalsContact OH-SG 3.4Å; L2571-C2843 HydrophobicContact CD2-CB 4.37Å; L2571-C2843 VanDerWaalsContact CD2-SG 3.57Å; Y2572-C2843 VanDerWaalsContact CE1-SG 3.52Å; H2839-C2843 WeakPolarHBondContact O-CB 3.47Å; H2839-C2843 PolarHBondContact O-N 3.33Å; H2839-C2843 PolarHBondContact O-SG 3.46Å; H2839-C2843 VanDerWaalsContact O-SG 3.34Å; L2840-C2843 WeakPolarHBondContact O-CB 3.32Å; L2840-C2843 PolarHBondContact O-N 3.12Å; L2840-C2843 VanDerWaalsContact O-N 3.11Å; C2843-R2845 VanDerWaalsContact C-N 3.35Å |
| 2844 | L | 95.7 | Very high | 93 | Very high | 0.5 Ų | 0.5 | 15.9 Ų | 15.9 | 0% | 0.003 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 19.7 | -178.8 | -63.8 | 177.4 | 0 | 0 | 0 | 113.7 | A2725 L2728 L2729 L2748 L2840 L2841 H2842 F2852 W2856 | A2725-L2844 HydrophobicContact CB-CD1 4.32Å; A2725-L2844 HydrophobicContact CB-CD2 3.89Å; A2725-L2844 HydrophobicContact CB-CG 4.17Å; L2728-L2844 HydrophobicContact CB-CD2 4.4Å; L2728-L2844 HydrophobicContact CD1-CD1 3.98Å; L2728-L2844 HydrophobicContact CD1-CD2 3.99Å; L2728-L2844 HydrophobicContact CD2-CD2 4.03Å; L2728-L2844 HydrophobicContact CG-CD2 4.38Å; L2729-L2844 HydrophobicContact CD1-CD2 4.41Å; L2729-L2844 HydrophobicContact CD2-CD2 4.22Å; L2729-L2844 HydrophobicContact CG-CD2 4.06Å; L2748-L2844 HydrophobicContact CD1-CD1 4.02Å; L2840-L2844 HydrophobicContact CD1-CD1 3.92Å; L2840-L2844 HydrophobicContact CD1-CG 4.4Å; L2840-L2844 HydrophobicContact CG-CD1 4.15Å; L2840-L2844 WeakPolarHBondContact O-CG 3.38Å; L2840-L2844 PolarHBondContact O-N 3.21Å; L2841-L2844 CarbonylContact O-C 3.38Å; L2841-L2844 VanDerWaalsContact O-C 3.28Å; L2841-L2844 PolarHBondContact O-N 3.01Å; H2842-L2844 VanDerWaalsContact C-N 3.28Å; H2842-L2844 PolarHBondContact O-N 2.85Å; L2844-F2852 HydrophobicContact CD1-CE1 4.42Å; L2844-W2856 PolarHBondContact O-NE1 3.48Å |
| 2845 | R | 94.7 | Very high | 93.2 | Very high | 4.5 Ų | 4.5 | 16 Ų | 16 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | trans | -55.8 | 155.5 | -176 | -5.6 | -179.4 | -111.5 | 165.5 | -3.7 | 112.5 | L2550 D2551 L2841 H2842 C2843 E2847 K2848 A2849 D2892 | L2550-R2845 PolarHBondContact O-NH2 3.07Å; D2551-R2845 IonicContact OD2-CZ 3.52Å; D2551-R2845 IonicContact OD2-NH1 3.86Å; D2551-R2845 PolarHBondContact OD2-NH1 3.11Å; D2551-R2845 IonicContact OD2-NH2 2.76Å; L2841-R2845 PolarHBondContact O-N 3.04Å; L2841-R2845 VanDerWaalsContact O-N 3.1Å; H2842-R2845 PolarHBondContact CE1-NE 3.08Å; H2842-R2845 PolarHBondContact CE1-NH1 3.36Å; H2842-R2845 PolarHBondContact CE1-NH2 3.13Å; H2842-R2845 VanDerWaalsContact ND1-CD 3.34Å; H2842-R2845 WeakPolarHBondContact ND1-CD 3.48Å; H2842-R2845 PolarHBondContact ND1-NE 3.44Å; H2842-R2845 PolarHBondContact NE2-NH2 3.45Å; H2842-R2845 VanDerWaalsContact NE2-NH2 3.12Å; H2842-R2845 WeakPolarHBondContact O-CB 3.42Å; H2842-R2845 VanDerWaalsContact O-CD 3.28Å; H2842-R2845 WeakPolarHBondContact O-CD 3.3Å; H2842-R2845 WeakPolarHBondContact O-CG 3.41Å; H2842-R2845 PolarHBondContact O-N 3.47Å; H2842-R2845 VanDerWaalsContact O-N 3.15Å; H2842-R2845 PolarHBondContact O-NE 3.44Å; C2843-R2845 VanDerWaalsContact C-N 3.35Å; R2845-E2847 HydrophobicContact CG-CB 4.47Å; R2845-E2847 IonicContact CZ-OE2 3.73Å; R2845-E2847 VanDerWaalsContact CZ-OE2 3.27Å; R2845-E2847 IonicContact NE-OE2 2.72Å; R2845-E2847 IonicContact NH2-OE2 3.72Å; R2845-E2847 PolarHBondContact NH2-OE2 3.39Å; R2845-E2847 PolarHBondContact O-N 2.94Å; R2845-K2848 HydrophobicContact CG-CG 3.94Å; R2845-K2848 PolarHBondContact O-N 3.39Å; R2845-A2849 PolarHBondContact O-N 3.16Å; R2845-A2849 VanDerWaalsContact O-N 3.14Å; R2845-D2892 HydrophobicContact CB-CB 4.01Å; R2845-D2892 WeakPolarHBondContact CD-OD1 3.48Å; R2845-D2892 WeakPolarHBondContact CD-OD2 3.43Å; R2845-D2892 HydrophobicContact CG-CB 3.68Å; R2845-D2892 IonicContact CZ-OD1 3.4Å; R2845-D2892 IonicContact NE-OD1 2.72Å; R2845-D2892 IonicContact NH1-OD1 2.99Å; R2845-D2892 PolarHBondContact NH1-OD1 3.3Å | ||
| 2846 | P | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31.1 | -176.6 | -29.8 | 37.7 | 0 | 0 | 0 | 115.1 | K2848 T2850 V2853 W2856 F2896 | P2846-K2848 VanDerWaalsContact C-N 3.29Å; P2846-K2848 PolarHBondContact O-N 3.26Å; P2846-T2850 VanDerWaalsContact O-CA 3.29Å; P2846-T2850 WeakPolarHBondContact O-CA 3.39Å; P2846-T2850 VanDerWaalsContact O-CG2 3.3Å; P2846-T2850 WeakPolarHBondContact O-CG2 3.34Å; P2846-T2850 PolarHBondContact O-N 3.38Å; P2846-V2853 HydrophobicContact CB-CB 4.31Å; P2846-V2853 HydrophobicContact CB-CG2 3.76Å; P2846-V2853 HydrophobicContact CG-CG2 3.86Å; P2846-W2856 HydrophobicContact CG-CD2 4.24Å; P2846-W2856 HydrophobicContact CG-CE3 4.05Å; P2846-W2856 HydrophobicContact CG-CZ3 4.3Å; P2846-F2896 HydrophobicContact CB-CB 3.82Å; P2846-F2896 HydrophobicContact CB-CD1 3.63Å; P2846-F2896 HydrophobicContact CB-CD2 3.8Å; P2846-F2896 HydrophobicContact CB-CE1 4.1Å; P2846-F2896 HydrophobicContact CB-CE2 4.25Å; P2846-F2896 HydrophobicContact CB-CG 3.46Å; P2846-F2896 VanDerWaalsContact CB-CG 3.46Å; P2846-F2896 HydrophobicContact CB-CZ 4.38Å; P2846-F2896 HydrophobicContact CG-CB 4.46Å; P2846-F2896 HydrophobicContact CG-CD1 4.5Å; P2846-F2896 HydrophobicContact CG-CG 4.45Å |
| 2847 | E | 88.4 | Confident | 93.9 | Very high | 58.5 Ų | 58.5 | 16.5 Ų | 16.5 | 27% | 0.273 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.1 | 175.5 | -117.4 | -176 | 175.5 | 0 | 0 | 113.1 | R2845 F2896 T3168 | R2845-E2847 HydrophobicContact CG-CB 4.47Å; R2845-E2847 IonicContact CZ-OE2 3.73Å; R2845-E2847 VanDerWaalsContact CZ-OE2 3.27Å; R2845-E2847 IonicContact NE-OE2 2.72Å; R2845-E2847 IonicContact NH2-OE2 3.72Å; R2845-E2847 PolarHBondContact NH2-OE2 3.39Å; R2845-E2847 PolarHBondContact O-N 2.94Å; E2847-F2896 HydrophobicContact CG-CB 4.25Å; E2847-F2896 HydrophobicContact CG-CD2 4.01Å; E2847-T3168 HydrophobicContact CG-CG2 3.75Å; E2847-T3168 WeakPolarHBondContact OE1-CG2 3.46Å; E2847-T3168 PolarHBondContact OE1-OG1 3.11Å |
| 2848 | K | 87.7 | Confident | 93.9 | Very high | 38 Ų | 38 | 21.9 Ų | 21.9 | 17% | 0.165 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -47.2 | -179.4 | -59.7 | -67.3 | -179.1 | 168.3 | 0 | 111.5 | E2505 L2729 H2732 R2845 P2846 | E2505-K2848 WeakPolarHBondContact OE1-CE 3.25Å; E2505-K2848 IonicContact OE1-NZ 3.62Å; E2505-K2848 PolarHBondContact OE1-NZ 2.92Å; L2729-K2848 HydrophobicContact CD2-CB 4.23Å; H2732-K2848 PolarHBondContact CE1-O 2.78Å; H2732-K2848 VanDerWaalsContact CE1-O 3.31Å; H2732-K2848 PolarHBondContact ND1-O 2.98Å; R2845-K2848 HydrophobicContact CG-CG 3.94Å; R2845-K2848 PolarHBondContact O-N 3.39Å; P2846-K2848 VanDerWaalsContact C-N 3.29Å; P2846-K2848 PolarHBondContact O-N 3.26Å |
| 2849 | A | 91.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -116 | 67.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L2728 L2729 R2845 A2851 F2852 | L2728-A2849 HydrophobicContact CD2-CB 3.93Å; L2729-A2849 HydrophobicContact CD2-CB 4.1Å; R2845-A2849 PolarHBondContact O-N 3.16Å; R2845-A2849 VanDerWaalsContact O-N 3.14Å; A2849-A2851 VanDerWaalsContact C-N 3.28Å; A2849-A2851 PolarHBondContact O-N 3.08Å; A2849-A2851 VanDerWaalsContact O-N 3.16Å; A2849-F2852 HydrophobicContact CB-CB 3.88Å; A2849-F2852 WeakPolarHBondContact O-CA 3.28Å; A2849-F2852 WeakPolarHBondContact O-CB 3.2Å; A2849-F2852 PolarHBondContact O-N 3.37Å | ||
| 2850 | T | 91.9 | Very high | 93.9 | Very high | 63.5 Ų | 63.5 | 22.4 Ų | 22.4 | 39% | 0.39 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -57.3 | -34.3 | -172.5 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | H2732 P2846 F2852 V2853 F2896 | H2732-T2850 PolarHBondContact NE2-N 3.03Å; H2732-T2850 PolarHBondContact NE2-OG1 3.36Å; P2846-T2850 VanDerWaalsContact O-CA 3.29Å; P2846-T2850 WeakPolarHBondContact O-CA 3.39Å; P2846-T2850 VanDerWaalsContact O-CG2 3.3Å; P2846-T2850 WeakPolarHBondContact O-CG2 3.34Å; P2846-T2850 PolarHBondContact O-N 3.38Å; T2850-F2852 VanDerWaalsContact C-N 3.26Å; T2850-F2852 PolarHBondContact O-N 3.34Å; T2850-V2853 VanDerWaalsContact O-CG1 3.29Å; T2850-V2853 WeakPolarHBondContact O-CG1 3.4Å; T2850-F2896 HydrophobicContact CG2-CE2 4.04Å; T2850-F2896 HydrophobicContact CG2-CZ 4.42Å |
| 2851 | A | 91.1 | Very high | 93.8 | Very high | 47.5 Ų | 47.5 | 25.1 Ų | 25.1 | 39% | 0.393 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -77.8 | -12.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | H2732 F2739 A2849 | H2732-A2851 VanDerWaalsContact CD2-CB 3.47Å; H2732-A2851 WeakPolarHBondContact CD2-CB 3.39Å; H2732-A2851 PolarHBondContact NE2-N 3.35Å; F2739-A2851 HydrophobicContact CD1-CB 3.57Å; F2739-A2851 HydrophobicContact CE1-CB 3.91Å; F2739-A2851 HydrophobicContact CG-CB 4.44Å; A2849-A2851 VanDerWaalsContact C-N 3.28Å; A2849-A2851 PolarHBondContact O-N 3.08Å; A2849-A2851 VanDerWaalsContact O-N 3.16Å |
| 2852 | F | 95.7 | Very high | 93.5 | Very high | 0.5 Ų | 0.5 | 27.8 Ų | 27.8 | 0% | 0.002 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -94.3 | -2.2 | 178 | -169.4 | -113.9 | 0 | 0 | 0 | 112.7 | L2728 F2739 P2741 F2744 E2745 L2748 L2844 A2849 T2850 F2854 S2855 W2856 M2859 | L2728-F2852 HydrophobicContact CD1-CD1 4.06Å; L2728-F2852 HydrophobicContact CD1-CD2 4.01Å; L2728-F2852 HydrophobicContact CD1-CE1 4.1Å; L2728-F2852 HydrophobicContact CD1-CE2 4.05Å; L2728-F2852 HydrophobicContact CD1-CG 4.03Å; L2728-F2852 HydrophobicContact CD1-CZ 4.1Å; L2728-F2852 HydrophobicContact CD2-CB 4.38Å; L2728-F2852 HydrophobicContact CD2-CG 4.44Å; F2739-F2852 HydrophobicContact CE1-CB 4.26Å; F2739-F2852 HydrophobicContact CE1-CD2 4.33Å; F2739-F2852 HydrophobicContact CZ-CB 4.22Å; F2739-F2852 HydrophobicContact CZ-CD2 4.3Å; P2741-F2852 HydrophobicContact CB-CD2 3.69Å; P2741-F2852 HydrophobicContact CB-CE2 4.2Å; F2744-F2852 HydrophobicContact CB-CE2 3.98Å; F2744-F2852 HydrophobicContact CB-CZ 4.48Å; E2745-F2852 HydrophobicContact CB-CE2 4.21Å; E2745-F2852 HydrophobicContact CB-CZ 4.48Å; L2748-F2852 HydrophobicContact CD1-CZ 4.49Å; L2844-F2852 HydrophobicContact CD1-CE1 4.42Å; A2849-F2852 HydrophobicContact CB-CB 3.88Å; A2849-F2852 WeakPolarHBondContact O-CA 3.28Å; A2849-F2852 WeakPolarHBondContact O-CB 3.2Å; A2849-F2852 PolarHBondContact O-N 3.37Å; T2850-F2852 VanDerWaalsContact C-N 3.26Å; T2850-F2852 PolarHBondContact O-N 3.34Å; F2852-F2854 VanDerWaalsContact C-N 3.32Å; F2852-F2854 PolarHBondContact O-N 3.42Å; F2852-F2854 VanDerWaalsContact O-N 3.14Å; F2852-S2855 VanDerWaalsContact CE2-CB 3.42Å; F2852-S2855 PolarHBondContact O-N 3.02Å; F2852-S2855 VanDerWaalsContact O-N 3.16Å; F2852-W2856 HydrophobicContact CD1-CB 3.82Å; F2852-W2856 HydrophobicContact CE1-CB 3.99Å; F2852-W2856 VanDerWaalsContact O-CB 3.29Å; F2852-W2856 WeakPolarHBondContact O-CB 3.37Å; F2852-W2856 PolarHBondContact O-N 2.95Å; F2852-M2859 HydrophobicContact CE1-SD 4.36Å; F2852-M2859 HydrophobicContact CZ-SD 4.05Å |
| 2853 | V | 95.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.1 | -38.5 | -170.7 | 66.6 | 0 | 0 | 0 | 0 | 115 | P2846 T2850 L2857 F2896 L2913 | P2846-V2853 HydrophobicContact CB-CB 4.31Å; P2846-V2853 HydrophobicContact CB-CG2 3.76Å; P2846-V2853 HydrophobicContact CG-CG2 3.86Å; T2850-V2853 VanDerWaalsContact O-CG1 3.29Å; T2850-V2853 WeakPolarHBondContact O-CG1 3.4Å; V2853-L2857 WeakPolarHBondContact O-CB 3.37Å; V2853-L2857 PolarHBondContact O-N 3.11Å; V2853-F2896 HydrophobicContact CG2-CD1 4.43Å; V2853-F2896 HydrophobicContact CG2-CE1 4.15Å; V2853-L2913 HydrophobicContact CG2-CD1 3.94Å; V2853-L2913 HydrophobicContact CG2-CD2 3.87Å |
| 2854 | F | 95.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 43.1 Ų | 43.1 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72.1 | -46.5 | -179 | -72.3 | -74.8 | 0 | 0 | 0 | 111.7 | F2852 W2856 L2857 E2858 P2909 C2912 L2913 | F2852-F2854 VanDerWaalsContact C-N 3.32Å; F2852-F2854 PolarHBondContact O-N 3.42Å; F2852-F2854 VanDerWaalsContact O-N 3.14Å; F2854-W2856 VanDerWaalsContact C-N 3.31Å; F2854-W2856 PolarHBondContact O-N 3.12Å; F2854-L2857 WeakPolarHBondContact O-CB 3.44Å; F2854-L2857 PolarHBondContact O-N 3.1Å; F2854-L2857 VanDerWaalsContact O-N 3.12Å; F2854-E2858 WeakPolarHBondContact O-CG 3.42Å; F2854-E2858 PolarHBondContact O-N 2.95Å; F2854-P2909 HydrophobicContact CE2-CB 4.41Å; F2854-P2909 HydrophobicContact CZ-CB 4.29Å; F2854-P2909 WeakPolarHBondContact CZ-O 3.15Å; F2854-C2912 HydrophobicContact CE1-CB 4.21Å; F2854-C2912 HydrophobicContact CZ-CB 4.25Å; F2854-L2913 HydrophobicContact CE1-CB 4.39Å; F2854-L2913 HydrophobicContact CZ-CB 4.47Å |
| 2855 | S | 95.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 173.7 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | P2741 E2745 F2852 L2857 E2858 M2859 | P2741-S2855 WeakPolarHBondContact CB-OG 3.34Å; E2745-S2855 WeakPolarHBondContact OE2-CB 3.37Å; E2745-S2855 PolarHBondContact OE2-OG 2.88Å; F2852-S2855 VanDerWaalsContact CE2-CB 3.42Å; F2852-S2855 PolarHBondContact O-N 3.02Å; F2852-S2855 VanDerWaalsContact O-N 3.16Å; S2855-L2857 VanDerWaalsContact C-N 3.33Å; S2855-L2857 PolarHBondContact O-N 3.25Å; S2855-E2858 PolarHBondContact O-N 3.26Å; S2855-M2859 WeakPolarHBondContact O-CG 3.26Å; S2855-M2859 PolarHBondContact O-N 3.24Å |
| 2856 | W | 97.3 | Very high | 92.1 | Very high | 0.5 Ų | 0.5 | 44.1 Ų | 44.1 | 0% | 0.002 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 173 | -174.9 | 99.1 | 0 | 0 | 0 | 111.7 | L2841 L2844 P2846 F2852 F2854 M2859 L2860 L2889 L2893 | L2841-W2856 HydrophobicContact CD2-CG 4.39Å; L2841-W2856 PolarHBondContact O-NE1 3.22Å; L2844-W2856 PolarHBondContact O-NE1 3.48Å; P2846-W2856 HydrophobicContact CG-CD2 4.24Å; P2846-W2856 HydrophobicContact CG-CE3 4.05Å; P2846-W2856 HydrophobicContact CG-CZ3 4.3Å; F2852-W2856 HydrophobicContact CD1-CB 3.82Å; F2852-W2856 HydrophobicContact CE1-CB 3.99Å; F2852-W2856 VanDerWaalsContact O-CB 3.29Å; F2852-W2856 WeakPolarHBondContact O-CB 3.37Å; F2852-W2856 PolarHBondContact O-N 2.95Å; F2854-W2856 VanDerWaalsContact C-N 3.31Å; F2854-W2856 PolarHBondContact O-N 3.12Å; W2856-M2859 PolarHBondContact O-N 2.8Å; W2856-L2860 HydrophobicContact CE3-CB 4.47Å; W2856-L2860 HydrophobicContact CE3-CD1 4.42Å; W2856-L2860 HydrophobicContact CH2-CD1 3.23Å; W2856-L2860 HydrophobicContact CH2-CD2 3.73Å; W2856-L2860 HydrophobicContact CH2-CG 4.49Å; W2856-L2860 HydrophobicContact CZ2-CD1 4.01Å; W2856-L2860 HydrophobicContact CZ3-CB 4.26Å; W2856-L2860 HydrophobicContact CZ3-CD1 3.48Å; W2856-L2860 VanDerWaalsContact CZ3-CD1 3.48Å; W2856-L2860 HydrophobicContact CZ3-CD2 3.57Å; W2856-L2860 HydrophobicContact CZ3-CG 4.44Å; W2856-L2860 PolarHBondContact O-N 2.92Å; W2856-L2889 HydrophobicContact CH2-CB 4.32Å; W2856-L2889 WeakPolarHBondContact CH2-O 3.31Å; W2856-L2889 HydrophobicContact CZ2-CB 4.33Å; W2856-L2889 HydrophobicContact CZ2-CD2 4.11Å; W2856-L2893 HydrophobicContact CH2-CB 4.14Å; W2856-L2893 HydrophobicContact CZ3-CB 3.92Å; W2856-L2893 HydrophobicContact CZ3-CD1 4.28Å; W2856-L2893 HydrophobicContact CZ3-CG 4.45Å |
| 2857 | L | 96.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.8 | -40.2 | 176.7 | 179.8 | 60.8 | 0 | 0 | 0 | 111.8 | V2853 F2854 S2855 M2859 L2860 T2861 L2893 L2913 A2916 L2920 | V2853-L2857 WeakPolarHBondContact O-CB 3.37Å; V2853-L2857 PolarHBondContact O-N 3.11Å; F2854-L2857 WeakPolarHBondContact O-CB 3.44Å; F2854-L2857 PolarHBondContact O-N 3.1Å; F2854-L2857 VanDerWaalsContact O-N 3.12Å; S2855-L2857 VanDerWaalsContact C-N 3.33Å; S2855-L2857 PolarHBondContact O-N 3.25Å; L2857-M2859 VanDerWaalsContact C-N 3.3Å; L2857-M2859 PolarHBondContact O-N 3.28Å; L2857-L2860 HydrophobicContact CD1-CD2 4.32Å; L2857-L2860 PolarHBondContact O-N 3.27Å; L2857-L2860 VanDerWaalsContact O-N 3.14Å; L2857-T2861 HydrophobicContact CD1-CG2 3.89Å; L2857-T2861 HydrophobicContact CG-CG2 4.28Å; L2857-T2861 WeakPolarHBondContact O-CB 3.16Å; L2857-T2861 VanDerWaalsContact O-CG2 3.28Å; L2857-T2861 WeakPolarHBondContact O-CG2 3.33Å; L2857-T2861 PolarHBondContact O-N 2.98Å; L2857-T2861 PolarHBondContact O-OG1 3.37Å; L2857-L2893 HydrophobicContact CD1-CD2 3.73Å; L2857-L2913 HydrophobicContact CD2-CD1 3.79Å; L2857-A2916 HydrophobicContact CD2-CB 3.6Å; L2857-L2920 HydrophobicContact CD1-CD2 4.1Å |
| 2858 | E | 94.2 | Very high | 91.5 | Very high | 114 Ų | 114 | 44.4 Ų | 44.4 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 175.2 | -124.5 | 171.2 | -170.1 | 0 | 0 | 111.2 | F2854 S2855 L2860 T2861 H2862 | F2854-E2858 WeakPolarHBondContact O-CG 3.42Å; F2854-E2858 PolarHBondContact O-N 2.95Å; S2855-E2858 PolarHBondContact O-N 3.26Å; E2858-L2860 PolarHBondContact O-N 3.48Å; E2858-T2861 CarbonylContact O-C 3.07Å; E2858-T2861 PolarHBondContact O-N 3.41Å; E2858-T2861 PolarHBondContact O-OG1 3.19Å; E2858-H2862 PolarHBondContact O-N 3.36Å |
| 2859 | M | 93.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 172.7 | -70.2 | 178.9 | 68.1 | 0 | 0 | 112.5 | E2745 L2748 V2749 L2841 F2852 S2855 W2856 L2857 T2861 H2862 | E2745-M2859 HydrophobicContact CG-CG 4.38Å; L2748-M2859 HydrophobicContact CB-CE 3.45Å; L2748-M2859 VanDerWaalsContact CB-CE 3.45Å; L2748-M2859 HydrophobicContact CB-SD 4.09Å; L2748-M2859 HydrophobicContact CD1-CE 3.85Å; L2748-M2859 HydrophobicContact CD1-SD 4.06Å; L2748-M2859 HydrophobicContact CG-CE 4.29Å; V2749-M2859 HydrophobicContact CG2-CG 3.89Å; L2841-M2859 HydrophobicContact CD2-CB 4.24Å; L2841-M2859 HydrophobicContact CD2-CE 3.82Å; L2841-M2859 HydrophobicContact CD2-SD 4.1Å; L2841-M2859 HydrophobicContact CG-CE 4.47Å; F2852-M2859 HydrophobicContact CE1-SD 4.36Å; F2852-M2859 HydrophobicContact CZ-SD 4.05Å; S2855-M2859 WeakPolarHBondContact O-CG 3.26Å; S2855-M2859 PolarHBondContact O-N 3.24Å; W2856-M2859 PolarHBondContact O-N 2.8Å; L2857-M2859 VanDerWaalsContact C-N 3.3Å; L2857-M2859 PolarHBondContact O-N 3.28Å; M2859-T2861 VanDerWaalsContact C-N 3.26Å; M2859-T2861 PolarHBondContact O-N 2.95Å; M2859-H2862 VanDerWaalsContact O-CB 3.29Å; M2859-H2862 WeakPolarHBondContact O-CB 3.31Å; M2859-H2862 PolarHBondContact O-N 2.91Å |
| 2860 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -34 | 178.4 | -174 | 107.5 | 0 | 0 | 0 | 112.3 | W2856 L2857 E2858 F2865 V2866 Y2886 L2889 L2893 L2920 | W2856-L2860 HydrophobicContact CE3-CB 4.47Å; W2856-L2860 HydrophobicContact CE3-CD1 4.42Å; W2856-L2860 HydrophobicContact CH2-CD1 3.23Å; W2856-L2860 HydrophobicContact CH2-CD2 3.73Å; W2856-L2860 HydrophobicContact CH2-CG 4.49Å; W2856-L2860 HydrophobicContact CZ2-CD1 4.01Å; W2856-L2860 HydrophobicContact CZ3-CB 4.26Å; W2856-L2860 HydrophobicContact CZ3-CD1 3.48Å; W2856-L2860 VanDerWaalsContact CZ3-CD1 3.48Å; W2856-L2860 HydrophobicContact CZ3-CD2 3.57Å; W2856-L2860 HydrophobicContact CZ3-CG 4.44Å; W2856-L2860 PolarHBondContact O-N 2.92Å; L2857-L2860 HydrophobicContact CD1-CD2 4.32Å; L2857-L2860 PolarHBondContact O-N 3.27Å; L2857-L2860 VanDerWaalsContact O-N 3.14Å; E2858-L2860 PolarHBondContact O-N 3.48Å; L2860-F2865 HydrophobicContact CD1-CE1 4.19Å; L2860-V2866 VanDerWaalsContact O-CG2 3.26Å; L2860-V2866 WeakPolarHBondContact O-CG2 3.31Å; L2860-Y2886 HydrophobicContact CD1-CD2 4.26Å; L2860-Y2886 HydrophobicContact CD1-CE2 3.74Å; L2860-Y2886 HydrophobicContact CD2-CE2 4.24Å; L2860-Y2886 VanDerWaalsContact CD2-OH 3.27Å; L2860-Y2886 WeakPolarHBondContact CD2-OH 3.32Å; L2860-Y2886 HydrophobicContact CG-CE2 4.28Å; L2860-Y2886 PolarHBondContact O-OH 2.92Å; L2860-Y2886 VanDerWaalsContact O-OH 3.13Å; L2860-L2889 HydrophobicContact CD1-CB 3.67Å; L2860-L2889 HydrophobicContact CD1-CD1 4.13Å; L2860-L2889 HydrophobicContact CD1-CG 4.41Å; L2860-L2893 HydrophobicContact CD2-CD2 4.3Å; L2860-L2920 HydrophobicContact CD2-CD1 4.47Å; L2860-L2920 HydrophobicContact CD2-CD2 3.75Å |
| 2861 | T | 93 | Very high | 91.1 | Very high | 58.5 Ų | 58.5 | 43.5 Ų | 43.5 | 36% | 0.359 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -3.1 | 179.4 | 63.5 | 0 | 0 | 0 | 0 | 114 | L2857 E2858 M2859 R2863 L2920 | L2857-T2861 HydrophobicContact CD1-CG2 3.89Å; L2857-T2861 HydrophobicContact CG-CG2 4.28Å; L2857-T2861 WeakPolarHBondContact O-CB 3.16Å; L2857-T2861 VanDerWaalsContact O-CG2 3.28Å; L2857-T2861 WeakPolarHBondContact O-CG2 3.33Å; L2857-T2861 PolarHBondContact O-N 2.98Å; L2857-T2861 PolarHBondContact O-OG1 3.37Å; E2858-T2861 CarbonylContact O-C 3.07Å; E2858-T2861 PolarHBondContact O-N 3.41Å; E2858-T2861 PolarHBondContact O-OG1 3.19Å; M2859-T2861 VanDerWaalsContact C-N 3.26Å; M2859-T2861 PolarHBondContact O-N 2.95Å; T2861-R2863 PolarHBondContact O-N 2.95Å; T2861-L2920 HydrophobicContact CG2-CB 4.3Å; T2861-L2920 HydrophobicContact CG2-CD1 3.7Å; T2861-L2920 HydrophobicContact CG2-CD2 3.91Å; T2861-L2920 HydrophobicContact CG2-CG 4.17Å |
| 2862 | H | 89.8 | Confident | 90.3 | Very high | 56.5 Ų | 56.5 | 41.7 Ų | 41.7 | 26% | 0.262 | 21% | 0.207 | S | C | . | . | trans | -61.3 | 124.8 | -176.5 | -172.9 | -98.5 | 0 | 0 | 0 | 110.5 | E2858 M2859 W2864 F2865 V2866 | E2858-H2862 PolarHBondContact O-N 3.36Å; M2859-H2862 VanDerWaalsContact O-CB 3.29Å; M2859-H2862 WeakPolarHBondContact O-CB 3.31Å; M2859-H2862 PolarHBondContact O-N 2.91Å; H2862-W2864 AromaticContact CE1-CD1 3.93Å; H2862-W2864 AromaticContact CE1-CD2 3.97Å; H2862-W2864 AromaticContact CE1-CG 3.8Å; H2862-W2864 PolarHBondContact ND1-N 3.14Å; H2862-W2864 PolarHBondContact O-N 2.89Å; H2862-W2864 VanDerWaalsContact O-N 3.09Å; H2862-F2865 HydrophobicContact CB-CB 4.14Å; H2862-F2865 WeakPolarHBondContact O-CA 3.35Å; H2862-F2865 WeakPolarHBondContact O-CB 3.08Å; H2862-F2865 PolarHBondContact O-N 2.9Å; H2862-V2866 PolarHBondContact O-N 3.22Å | ||
| 2863 | R | 88.2 | Confident | 89.3 | Confident | 204 Ų | 204 | 47.6 Ų | 47.6 | 77% | 0.77 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -48.8 | -41 | -174.6 | 111.1 | 170.2 | 169 | 170.8 | -0.9 | 113.9 | T2861 G2867 | T2861-R2863 PolarHBondContact O-N 2.95Å; R2863-G2867 PolarHBondContact O-N 2.97Å |
| 2864 | W | 81.9 | Confident | 88.4 | Confident | 125.5 Ų | 125.5 | 48.5 Ų | 48.5 | 48% | 0.475 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.6 | -38.1 | 178.6 | -66.1 | 10.4 | 0 | 0 | 0 | 111.6 | V2753 H2862 G2867 C2868 | V2753-W2864 HydrophobicContact CB-CE3 4.48Å; V2753-W2864 HydrophobicContact CB-CZ3 4.01Å; V2753-W2864 HydrophobicContact CG1-CE3 4.45Å; V2753-W2864 HydrophobicContact CG1-CH2 4.3Å; V2753-W2864 HydrophobicContact CG1-CZ3 3.74Å; V2753-W2864 HydrophobicContact CG2-CE3 3.85Å; V2753-W2864 HydrophobicContact CG2-CZ3 3.89Å; H2862-W2864 AromaticContact CE1-CD1 3.93Å; H2862-W2864 AromaticContact CE1-CD2 3.97Å; H2862-W2864 AromaticContact CE1-CG 3.8Å; H2862-W2864 PolarHBondContact ND1-N 3.14Å; H2862-W2864 PolarHBondContact O-N 2.89Å; H2862-W2864 VanDerWaalsContact O-N 3.09Å; W2864-G2867 PolarHBondContact O-N 3.26Å; W2864-C2868 WeakPolarHBondContact O-CB 3.47Å; W2864-C2868 PolarHBondContact O-N 2.96Å; W2864-C2868 PolarHBondContact O-SG 3.19Å |
| 2865 | F | 89.3 | Confident | 87.7 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -49.6 | 178.8 | -172.4 | -105.9 | 0 | 0 | 0 | 110.8 | F2752 F2837 L2841 L2860 H2862 G2867 C2868 I2869 Y2886 L2889 | F2752-F2865 HydrophobicContact CE1-CB 4.47Å; F2752-F2865 HydrophobicContact CE1-CD2 4.35Å; F2752-F2865 HydrophobicContact CE2-CD2 4.24Å; F2752-F2865 AromaticContact CZ-CD2 3.98Å; F2752-F2865 HydrophobicContact CZ-CD2 3.99Å; F2837-F2865 HydrophobicContact CB-CE2 3.95Å; L2841-F2865 HydrophobicContact CD1-CE1 3.83Å; L2841-F2865 HydrophobicContact CD1-CE2 4.23Å; L2841-F2865 HydrophobicContact CD1-CZ 3.57Å; L2860-F2865 HydrophobicContact CD1-CE1 4.19Å; H2862-F2865 HydrophobicContact CB-CB 4.14Å; H2862-F2865 WeakPolarHBondContact O-CA 3.35Å; H2862-F2865 WeakPolarHBondContact O-CB 3.08Å; H2862-F2865 PolarHBondContact O-N 2.9Å; F2865-G2867 PolarHBondContact O-N 3.07Å; F2865-C2868 PolarHBondContact O-N 2.85Å; F2865-I2869 HydrophobicContact CD1-CD1 3.85Å; F2865-I2869 HydrophobicContact CD2-CD1 3.85Å; F2865-I2869 HydrophobicContact CE1-CD1 3.43Å; F2865-I2869 VanDerWaalsContact CE1-CD1 3.43Å; F2865-I2869 HydrophobicContact CE2-CD1 3.43Å; F2865-I2869 HydrophobicContact CG-CD1 4.04Å; F2865-I2869 HydrophobicContact CZ-CD1 3.21Å; F2865-I2869 WeakPolarHBondContact O-CB 3.23Å; F2865-I2869 VanDerWaalsContact O-CG1 3.29Å; F2865-I2869 WeakPolarHBondContact O-CG1 3.38Å; F2865-I2869 PolarHBondContact O-N 3.2Å; F2865-I2869 VanDerWaalsContact O-N 3.16Å; F2865-Y2886 HydrophobicContact CD1-CE2 4.4Å; F2865-Y2886 HydrophobicContact CE1-CD2 4.37Å; F2865-Y2886 HydrophobicContact CE1-CE2 4.34Å; F2865-L2889 HydrophobicContact CE1-CD1 4.18Å; F2865-L2889 HydrophobicContact CZ-CD1 4.18Å |
| 2866 | V | 89.9 | Confident | 86.9 | Confident | 16.5 Ų | 16.5 | 50 Ų | 50 | 10% | 0.1 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 176.5 | -178 | 0 | 0 | 0 | 0 | 111.1 | L2860 H2862 I2869 L2870 Y2886 F2928 | L2860-V2866 VanDerWaalsContact O-CG2 3.26Å; L2860-V2866 WeakPolarHBondContact O-CG2 3.31Å; H2862-V2866 PolarHBondContact O-N 3.22Å; V2866-I2869 PolarHBondContact O-N 3.19Å; V2866-L2870 HydrophobicContact CG1-CD1 3.95Å; V2866-L2870 HydrophobicContact CG1-CG 4.45Å; V2866-L2870 WeakPolarHBondContact O-CB 3.41Å; V2866-L2870 PolarHBondContact O-N 2.9Å; V2866-Y2886 HydrophobicContact CG2-CE2 4.17Å; V2866-F2928 HydrophobicContact CG1-CD2 4.41Å; V2866-F2928 HydrophobicContact CG1-CE2 3.65Å; V2866-F2928 HydrophobicContact CG1-CZ 4.21Å |
| 2867 | G | 85.2 | Confident | 86.1 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R2863 W2864 F2865 I2869 S2871 A2872 | R2863-G2867 PolarHBondContact O-N 2.97Å; W2864-G2867 PolarHBondContact O-N 3.26Å; F2865-G2867 PolarHBondContact O-N 3.07Å; G2867-I2869 VanDerWaalsContact C-N 3.26Å; G2867-I2869 PolarHBondContact O-N 3.44Å; G2867-S2871 CarbonylContact O-C 3.54Å; G2867-S2871 VanDerWaalsContact O-CA 3.32Å; G2867-S2871 WeakPolarHBondContact O-CA 3.17Å; G2867-S2871 WeakPolarHBondContact O-CB 3.36Å; G2867-S2871 PolarHBondContact O-N 3.1Å; G2867-A2872 PolarHBondContact O-N 2.85Å |
| 2868 | C | 83.8 | Confident | 85.5 | Confident | 38.5 Ų | 38.5 | 52.9 Ų | 52.9 | 26% | 0.26 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.3 | -22.1 | 179 | -73.3 | 0 | 0 | 0 | 0 | 113.7 | F2752 W2864 F2865 A2872 | F2752-C2868 HydrophobicContact CZ-CB 4.36Å; W2864-C2868 WeakPolarHBondContact O-CB 3.47Å; W2864-C2868 PolarHBondContact O-N 2.96Å; W2864-C2868 PolarHBondContact O-SG 3.19Å; F2865-C2868 PolarHBondContact O-N 2.85Å; C2868-A2872 VanDerWaalsContact O-CB 3.24Å; C2868-A2872 WeakPolarHBondContact O-CB 3.39Å |
| 2869 | I | 87.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -101.5 | -51.5 | -176.9 | -66.8 | 171.5 | 0 | 0 | 0 | 110.9 | P2834 C2838 F2865 V2866 G2867 Y2882 Y2886 | P2834-I2869 HydrophobicContact CB-CD1 4.43Å; P2834-I2869 HydrophobicContact CB-CG1 3.87Å; C2838-I2869 VanDerWaalsContact SG-CD1 3.55Å; F2865-I2869 HydrophobicContact CD1-CD1 3.85Å; F2865-I2869 HydrophobicContact CD2-CD1 3.85Å; F2865-I2869 HydrophobicContact CE1-CD1 3.43Å; F2865-I2869 VanDerWaalsContact CE1-CD1 3.43Å; F2865-I2869 HydrophobicContact CE2-CD1 3.43Å; F2865-I2869 HydrophobicContact CG-CD1 4.04Å; F2865-I2869 HydrophobicContact CZ-CD1 3.21Å; F2865-I2869 WeakPolarHBondContact O-CB 3.23Å; F2865-I2869 VanDerWaalsContact O-CG1 3.29Å; F2865-I2869 WeakPolarHBondContact O-CG1 3.38Å; F2865-I2869 PolarHBondContact O-N 3.2Å; F2865-I2869 VanDerWaalsContact O-N 3.16Å; V2866-I2869 PolarHBondContact O-N 3.19Å; G2867-I2869 VanDerWaalsContact C-N 3.26Å; G2867-I2869 PolarHBondContact O-N 3.44Å; I2869-Y2882 VanDerWaalsContact CG2-O 3.26Å; I2869-Y2882 WeakPolarHBondContact CG2-O 3.18Å; I2869-Y2882 VanDerWaalsContact O-CB 3.28Å; I2869-Y2882 WeakPolarHBondContact O-CB 3.46Å; I2869-Y2886 HydrophobicContact CD1-CD2 4.46Å; I2869-Y2886 HydrophobicContact CG2-CD2 4.21Å; I2869-Y2886 HydrophobicContact CG2-CG 4.39Å |
| 2870 | L | 89.7 | Confident | 84.6 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -88 | -27.5 | -175.1 | -61.1 | -175.9 | 0 | 0 | 0 | 113.3 | V2866 Q2883 Y2886 L2924 F2928 F2931 | V2866-L2870 HydrophobicContact CG1-CD1 3.95Å; V2866-L2870 HydrophobicContact CG1-CG 4.45Å; V2866-L2870 WeakPolarHBondContact O-CB 3.41Å; V2866-L2870 PolarHBondContact O-N 2.9Å; L2870-Q2883 HydrophobicContact CD2-CG 4.14Å; L2870-Y2886 HydrophobicContact CD1-CD1 3.97Å; L2870-Y2886 HydrophobicContact CD1-CE1 3.96Å; L2870-Y2886 HydrophobicContact CD1-CG 4.41Å; L2870-Y2886 HydrophobicContact CD2-CD1 4.12Å; L2870-Y2886 HydrophobicContact CD2-CG 4.06Å; L2870-Y2886 HydrophobicContact CG-CD1 4.32Å; L2870-Y2886 HydrophobicContact CG-CG 4.3Å; L2870-L2924 HydrophobicContact CD1-CD2 3.75Å; L2870-F2928 HydrophobicContact CB-CD1 3.78Å; L2870-F2928 HydrophobicContact CB-CD2 4.41Å; L2870-F2928 HydrophobicContact CB-CE1 3.68Å; L2870-F2928 HydrophobicContact CB-CE2 4.33Å; L2870-F2928 HydrophobicContact CB-CG 4.15Å; L2870-F2928 HydrophobicContact CB-CZ 3.97Å; L2870-F2928 HydrophobicContact CD1-CB 4.35Å; L2870-F2928 HydrophobicContact CD1-CD1 4.41Å; L2870-F2928 HydrophobicContact CD1-CD2 3.79Å; L2870-F2928 HydrophobicContact CD1-CE2 4.17Å; L2870-F2928 HydrophobicContact CD1-CG 3.92Å; L2870-F2931 HydrophobicContact CD1-CD1 4.26Å; L2870-F2931 HydrophobicContact CD1-CG 4.48Å; L2870-F2931 HydrophobicContact CD2-CD1 4.45Å; L2870-F2931 HydrophobicContact CD2-CD2 3.95Å; L2870-F2931 HydrophobicContact CD2-CE2 4.19Å; L2870-F2931 HydrophobicContact CD2-CG 4.09Å |
| 2871 | S | 84.3 | Confident | 84.2 | Confident | 70.5 Ų | 70.5 | 52.8 Ų | 52.8 | 49% | 0.493 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -100.2 | 7.6 | 177.6 | -46.2 | 0 | 0 | 0 | 0 | 113.6 | G2867 F2928 | G2867-S2871 CarbonylContact O-C 3.54Å; G2867-S2871 VanDerWaalsContact O-CA 3.32Å; G2867-S2871 WeakPolarHBondContact O-CA 3.17Å; G2867-S2871 WeakPolarHBondContact O-CB 3.36Å; G2867-S2871 PolarHBondContact O-N 3.1Å; S2871-F2928 WeakPolarHBondContact OG-CE1 3.24Å; S2871-F2928 VanDerWaalsContact OG-CZ 3.3Å; S2871-F2928 WeakPolarHBondContact OG-CZ 3.21Å |
| 2872 | A | 75.6 | Confident | 84.1 | Confident | 10.5 Ų | 10.5 | 50.5 Ų | 50.5 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | trans | -63.3 | 128.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G2867 C2868 R2879 Y2882 | G2867-A2872 PolarHBondContact O-N 2.85Å; C2868-A2872 VanDerWaalsContact O-CB 3.24Å; C2868-A2872 WeakPolarHBondContact O-CB 3.39Å; A2872-R2879 PolarHBondContact O-NE 3.42Å; A2872-Y2882 HydrophobicContact CB-CD2 3.6Å; A2872-Y2882 VanDerWaalsContact CB-CD2 3.46Å; A2872-Y2882 HydrophobicContact CB-CE2 3.52Å; A2872-Y2882 VanDerWaalsContact CB-CE2 3.48Å | ||
| 2873 | P | 74.4 | Confident | 84.2 | Confident | 123 Ų | 123 | 49.5 Ų | 49.5 | 80% | 0.799 | 27% | 0.27 | S | S | * | . | trans | -68.6 | 139.5 | 165.8 | 30.2 | -32.5 | 0 | 0 | 0 | 109.1 | ||||
| 2874 | G | 76.3 | Confident | 84.3 | Confident | 31 Ų | 31 | 40.1 Ų | 40.1 | 32% | 0.32 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 161.7 | 173.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R2879 | G2874-R2879 PolarHBondContact O-NH2 3.04Š|
| 2875 | P | 81.3 | Confident | 84.7 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | trans | -60.5 | 147 | 177.1 | 25.6 | -32.6 | 0 | 0 | 0 | 110.3 | L2824 K2877 L2878 R2879 | L2824-P2875 HydrophobicContact CD1-CG 4.5Å; P2875-K2877 PolarHBondContact O-N 2.92Å; P2875-K2877 VanDerWaalsContact O-N 3.11Å; P2875-L2878 HydrophobicContact CG-CB 3.84Å; P2875-L2878 PolarHBondContact O-N 3.08Å; P2875-R2879 PolarHBondContact O-N 3.41Å; P2875-R2879 VanDerWaalsContact O-N 3.15Å | ||
| 2876 | P | 79.5 | Confident | 85 | Confident | 70 Ų | 70 | 33.8 Ų | 33.8 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.9 | -34.7 | -174.4 | 19.8 | -32.2 | 0 | 0 | 0 | 113.2 | I2816 L2878 R2879 A2880 | I2816-P2876 HydrophobicContact CD1-CB 3.98Å; I2816-P2876 HydrophobicContact CD1-CG 3.72Å; I2816-P2876 HydrophobicContact CG1-CB 4.43Å; I2816-P2876 HydrophobicContact CG1-CG 4.47Å; P2876-L2878 PolarHBondContact O-N 3.34Å; P2876-R2879 PolarHBondContact O-N 3.02Å; P2876-A2880 WeakPolarHBondContact O-CB 3.38Å; P2876-A2880 PolarHBondContact O-N 3.03Å |
| 2877 | K | 80.4 | Confident | 85.3 | Confident | 72 Ų | 72 | 33 Ų | 33 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.6 | -41 | 175.8 | -65.5 | -174.3 | -179.6 | 177.9 | 0 | 113.3 | I2816 S2820 S2823 L2824 P2875 A2880 A2881 | I2816-K2877 HydrophobicContact CD1-CB 4.4Å; I2816-K2877 HydrophobicContact CD1-CD 4.24Å; I2816-K2877 HydrophobicContact CD1-CG 3.28Å; I2816-K2877 HydrophobicContact CG2-CG 4.32Å; S2820-K2877 PolarHBondContact O-NZ 2.6Å; S2823-K2877 PolarHBondContact O-NZ 3.45Å; S2823-K2877 PolarHBondContact OG-NZ 2.87Å; L2824-K2877 HydrophobicContact CD1-CB 3.88Å; L2824-K2877 HydrophobicContact CD1-CD 3.97Å; L2824-K2877 HydrophobicContact CD1-CG 4.36Å; L2824-K2877 HydrophobicContact CD2-CB 3.81Å; L2824-K2877 HydrophobicContact CG-CB 3.92Å; P2875-K2877 PolarHBondContact O-N 2.92Å; P2875-K2877 VanDerWaalsContact O-N 3.11Å; K2877-A2880 PolarHBondContact O-N 3.3Å; K2877-A2881 PolarHBondContact O-N 3.34Å; K2877-A2881 VanDerWaalsContact O-N 3.1Å |
| 2878 | L | 83.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.1 | -40.9 | 178.6 | -179.7 | 61.6 | 0 | 0 | 0 | 110.5 | L2824 L2827 Q2831 P2875 P2876 A2880 A2881 Y2882 | L2824-L2878 HydrophobicContact CD2-CB 4.22Å; L2827-L2878 HydrophobicContact CD1-CD1 4.29Å; L2827-L2878 HydrophobicContact CD2-CD1 3.92Å; L2827-L2878 HydrophobicContact CD2-CD2 4.34Å; Q2831-L2878 HydrophobicContact CB-CD2 4.06Å; Q2831-L2878 HydrophobicContact CG-CD2 3.8Å; P2875-L2878 HydrophobicContact CG-CB 3.84Å; P2875-L2878 PolarHBondContact O-N 3.08Å; P2876-L2878 PolarHBondContact O-N 3.34Å; L2878-A2880 VanDerWaalsContact C-N 3.33Å; L2878-A2880 PolarHBondContact O-N 2.93Å; L2878-A2881 WeakPolarHBondContact O-CB 3.37Å; L2878-A2881 PolarHBondContact O-N 3.25Å; L2878-A2881 VanDerWaalsContact O-N 3.16Å; L2878-Y2882 HydrophobicContact CD1-CD1 4.27Å; L2878-Y2882 HydrophobicContact CD1-CE1 3.61Å; L2878-Y2882 HydrophobicContact CD1-CE2 4.37Å; L2878-Y2882 HydrophobicContact CD2-CE2 4.19Å; L2878-Y2882 HydrophobicContact CG-CD2 4.44Å; L2878-Y2882 HydrophobicContact CG-CE1 4.05Å; L2878-Y2882 HydrophobicContact CG-CE2 3.89Å; L2878-Y2882 PolarHBondContact O-N 3.03Å |
| 2879 | R | 85.2 | Confident | 86.3 | Confident | 87 Ų | 87 | 30.2 Ų | 30.2 | 33% | 0.328 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.1 | -167.6 | -176.8 | -57.8 | 140.1 | 5.4 | 111.8 | A2872 G2874 P2875 P2876 A2881 Y2882 Q2883 | A2872-R2879 PolarHBondContact O-NE 3.42Å; G2874-R2879 PolarHBondContact O-NH2 3.04Å; P2875-R2879 PolarHBondContact O-N 3.41Å; P2875-R2879 VanDerWaalsContact O-N 3.15Å; P2876-R2879 PolarHBondContact O-N 3.02Å; R2879-A2881 VanDerWaalsContact C-N 3.31Å; R2879-A2881 PolarHBondContact O-N 3.19Å; R2879-Y2882 WeakPolarHBondContact O-CB 3.46Å; R2879-Y2882 PolarHBondContact O-N 3.03Å; R2879-Q2883 WeakPolarHBondContact O-CG 3.21Å; R2879-Q2883 PolarHBondContact O-N 2.93Å |
| 2880 | A | 84.4 | Confident | 86.7 | Confident | 29.5 Ų | 29.5 | 30.2 Ų | 30.2 | 24% | 0.244 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2821 P2876 K2877 L2878 Q2883 A2884 | I2821-A2880 HydrophobicContact CD1-CB 4.22Å; I2821-A2880 HydrophobicContact CG1-CB 4.21Å; P2876-A2880 WeakPolarHBondContact O-CB 3.38Å; P2876-A2880 PolarHBondContact O-N 3.03Å; K2877-A2880 PolarHBondContact O-N 3.3Å; L2878-A2880 VanDerWaalsContact C-N 3.33Å; L2878-A2880 PolarHBondContact O-N 2.93Å; A2880-Q2883 PolarHBondContact O-N 3.26Å; A2880-A2884 VanDerWaalsContact O-CB 3.32Å; A2880-A2884 WeakPolarHBondContact O-CB 3.41Å; A2880-A2884 PolarHBondContact O-N 3.43Å |
| 2881 | A | 85.4 | Confident | 87 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P2559 I2821 K2877 L2878 R2879 A2884 M2885 | P2559-A2881 VanDerWaalsContact CD-CB 3.43Å; P2559-A2881 HydrophobicContact CG-CB 4.11Å; I2821-A2881 HydrophobicContact CD1-CB 4.4Å; I2821-A2881 HydrophobicContact CG2-CB 3.97Å; K2877-A2881 PolarHBondContact O-N 3.34Å; K2877-A2881 VanDerWaalsContact O-N 3.1Å; L2878-A2881 WeakPolarHBondContact O-CB 3.37Å; L2878-A2881 PolarHBondContact O-N 3.25Å; L2878-A2881 VanDerWaalsContact O-N 3.16Å; R2879-A2881 VanDerWaalsContact C-N 3.31Å; R2879-A2881 PolarHBondContact O-N 3.19Å; A2881-A2884 PolarHBondContact O-N 2.94Å; A2881-M2885 VanDerWaalsContact O-CG 3.29Å; A2881-M2885 WeakPolarHBondContact O-CG 3.32Å; A2881-M2885 PolarHBondContact O-N 3.34Å |
| 2882 | Y | 90.2 | Very high | 87.5 | Confident | 10.5 Ų | 10.5 | 26.4 Ų | 26.4 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 174.7 | -70.3 | -15.5 | 0 | 0 | 0 | 112.5 | Q2831 L2835 I2869 A2872 L2878 R2879 M2885 Y2886 | Q2831-Y2882 VanDerWaalsContact CA-OH 3.26Å; Q2831-Y2882 WeakPolarHBondContact CA-OH 3.43Å; Q2831-Y2882 WeakPolarHBondContact O-CE1 3.35Å; Q2831-Y2882 PolarHBondContact O-OH 3.07Å; L2835-Y2882 HydrophobicContact CD1-CE1 4.11Å; L2835-Y2882 HydrophobicContact CD2-CD1 3.52Å; L2835-Y2882 HydrophobicContact CD2-CE1 3.82Å; L2835-Y2882 HydrophobicContact CG-CD1 3.94Å; L2835-Y2882 HydrophobicContact CG-CE1 3.68Å; I2869-Y2882 VanDerWaalsContact CG2-O 3.26Å; I2869-Y2882 WeakPolarHBondContact CG2-O 3.18Å; I2869-Y2882 VanDerWaalsContact O-CB 3.28Å; I2869-Y2882 WeakPolarHBondContact O-CB 3.46Å; A2872-Y2882 HydrophobicContact CB-CD2 3.6Å; A2872-Y2882 VanDerWaalsContact CB-CD2 3.46Å; A2872-Y2882 HydrophobicContact CB-CE2 3.52Å; A2872-Y2882 VanDerWaalsContact CB-CE2 3.48Å; L2878-Y2882 HydrophobicContact CD1-CD1 4.27Å; L2878-Y2882 HydrophobicContact CD1-CE1 3.61Å; L2878-Y2882 HydrophobicContact CD1-CE2 4.37Å; L2878-Y2882 HydrophobicContact CD2-CE2 4.19Å; L2878-Y2882 HydrophobicContact CG-CD2 4.44Å; L2878-Y2882 HydrophobicContact CG-CE1 4.05Å; L2878-Y2882 HydrophobicContact CG-CE2 3.89Å; L2878-Y2882 PolarHBondContact O-N 3.03Å; R2879-Y2882 WeakPolarHBondContact O-CB 3.46Å; R2879-Y2882 PolarHBondContact O-N 3.03Å; Y2882-M2885 WeakPolarHBondContact O-CB 3.34Å; Y2882-M2885 PolarHBondContact O-N 3.2Å; Y2882-Y2886 PolarHBondContact O-N 3.03Å |
| 2883 | Q | 91.6 | Very high | 88.5 | Confident | 34.5 Ų | 34.5 | 25.9 Ų | 25.9 | 16% | 0.161 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.7 | -71.6 | 175.1 | -24 | 0 | 0 | 111.4 | L2870 R2879 A2880 M2885 Y2886 A2887 F2931 Y2935 | L2870-Q2883 HydrophobicContact CD2-CG 4.14Å; R2879-Q2883 WeakPolarHBondContact O-CG 3.21Å; R2879-Q2883 PolarHBondContact O-N 2.93Å; A2880-Q2883 PolarHBondContact O-N 3.26Å; Q2883-M2885 VanDerWaalsContact C-N 3.31Å; Q2883-M2885 PolarHBondContact O-N 2.79Å; Q2883-Y2886 PolarHBondContact O-N 3.06Å; Q2883-A2887 VanDerWaalsContact O-CB 3.31Å; Q2883-A2887 WeakPolarHBondContact O-CB 3.35Å; Q2883-A2887 PolarHBondContact O-N 3.07Å; Q2883-F2931 HydrophobicContact CB-CD2 4Å; Q2883-F2931 HydrophobicContact CB-CE2 4.23Å; Q2883-F2931 HydrophobicContact CG-CD2 4.09Å; Q2883-F2931 WeakPolarHBondContact O-CE2 3.29Å; Q2883-Y2935 HydrophobicContact CB-CE2 3.94Å |
| 2884 | A | 90.5 | Very high | 89.5 | Confident | 7 Ų | 7 | 20.1 Ų | 20.1 | 6% | 0.058 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L2554 A2880 A2881 A2887 Q2888 Y2935 | L2554-A2884 HydrophobicContact CB-CB 4.31Å; L2554-A2884 HydrophobicContact CD1-CB 4.36Å; L2554-A2884 WeakPolarHBondContact CD1-O 3.37Å; A2880-A2884 VanDerWaalsContact O-CB 3.32Å; A2880-A2884 WeakPolarHBondContact O-CB 3.41Å; A2880-A2884 PolarHBondContact O-N 3.43Å; A2881-A2884 PolarHBondContact O-N 2.94Å; A2884-A2887 PolarHBondContact O-N 3.11Å; A2884-Q2888 PolarHBondContact O-N 3.14Å; A2884-Y2935 WeakPolarHBondContact CA-OH 3.3Å; A2884-Y2935 PolarHBondContact N-OH 3.24Å |
| 2885 | M | 90.9 | Very high | 90.1 | Very high | 2.5 Ų | 2.5 | 20.7 Ų | 20.7 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 174.4 | -73.3 | -70.3 | 175.1 | 0 | 0 | 112.5 | M2555 S2558 L2835 C2838 H2839 A2881 Y2882 Q2883 A2887 Q2888 L2889 | M2555-M2885 HydrophobicContact CB-CE 4.05Å; M2555-M2885 HydrophobicContact CB-SD 4.07Å; M2555-M2885 HydrophobicContact CE-CE 4.3Å; M2555-M2885 HydrophobicContact CE-SD 3.63Å; M2555-M2885 VanDerWaalsContact CE-SD 3.53Å; M2555-M2885 HydrophobicContact CG-CE 4.2Å; M2555-M2885 HydrophobicContact CG-SD 3.57Å; M2555-M2885 VanDerWaalsContact CG-SD 3.57Å; M2555-M2885 HydrophobicContact SD-SD 4.27Å; S2558-M2885 VanDerWaalsContact OG-CE 3.27Å; S2558-M2885 WeakPolarHBondContact OG-CE 3.27Å; L2835-M2885 HydrophobicContact CD2-CE 4.26Å; L2835-M2885 HydrophobicContact CD2-CG 3.62Å; C2838-M2885 HydrophobicContact CB-CB 3.88Å; C2838-M2885 HydrophobicContact CB-CG 4.23Å; C2838-M2885 HydrophobicContact CB-SD 4.03Å; H2839-M2885 WeakPolarHBondContact CE1-CE 3.43Å; A2881-M2885 VanDerWaalsContact O-CG 3.29Å; A2881-M2885 WeakPolarHBondContact O-CG 3.32Å; A2881-M2885 PolarHBondContact O-N 3.34Å; Y2882-M2885 WeakPolarHBondContact O-CB 3.34Å; Y2882-M2885 PolarHBondContact O-N 3.2Å; Q2883-M2885 VanDerWaalsContact C-N 3.31Å; Q2883-M2885 PolarHBondContact O-N 2.79Å; M2885-A2887 VanDerWaalsContact C-N 3.33Å; M2885-A2887 PolarHBondContact O-N 3.46Å; M2885-Q2888 WeakPolarHBondContact O-CB 3.35Å; M2885-Q2888 PolarHBondContact O-N 2.95Å; M2885-L2889 WeakPolarHBondContact O-CG 3.25Å; M2885-L2889 PolarHBondContact O-N 3.26Å; M2885-L2889 VanDerWaalsContact O-N 3.12Å |
| 2886 | Y | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 178.3 | -162.3 | -94.8 | 0 | 0 | 0 | 111.9 | L2860 F2865 V2866 I2869 L2870 Y2882 Q2883 Q2888 L2889 L2890 L2924 F2931 | L2860-Y2886 HydrophobicContact CD1-CD2 4.26Å; L2860-Y2886 HydrophobicContact CD1-CE2 3.74Å; L2860-Y2886 HydrophobicContact CD2-CE2 4.24Å; L2860-Y2886 VanDerWaalsContact CD2-OH 3.27Å; L2860-Y2886 WeakPolarHBondContact CD2-OH 3.32Å; L2860-Y2886 HydrophobicContact CG-CE2 4.28Å; L2860-Y2886 PolarHBondContact O-OH 2.92Å; L2860-Y2886 VanDerWaalsContact O-OH 3.13Å; F2865-Y2886 HydrophobicContact CD1-CE2 4.4Å; F2865-Y2886 HydrophobicContact CE1-CD2 4.37Å; F2865-Y2886 HydrophobicContact CE1-CE2 4.34Å; V2866-Y2886 HydrophobicContact CG2-CE2 4.17Å; I2869-Y2886 HydrophobicContact CD1-CD2 4.46Å; I2869-Y2886 HydrophobicContact CG2-CD2 4.21Å; I2869-Y2886 HydrophobicContact CG2-CG 4.39Å; L2870-Y2886 HydrophobicContact CD1-CD1 3.97Å; L2870-Y2886 HydrophobicContact CD1-CE1 3.96Å; L2870-Y2886 HydrophobicContact CD1-CG 4.41Å; L2870-Y2886 HydrophobicContact CD2-CD1 4.12Å; L2870-Y2886 HydrophobicContact CD2-CG 4.06Å; L2870-Y2886 HydrophobicContact CG-CD1 4.32Å; L2870-Y2886 HydrophobicContact CG-CG 4.3Å; Y2882-Y2886 PolarHBondContact O-N 3.03Å; Q2883-Y2886 PolarHBondContact O-N 3.06Å; Y2886-Q2888 VanDerWaalsContact C-N 3.32Å; Y2886-Q2888 PolarHBondContact O-N 3.42Å; Y2886-L2889 PolarHBondContact O-N 3.02Å; Y2886-L2890 WeakPolarHBondContact O-CB 3.3Å; Y2886-L2890 PolarHBondContact O-N 3.3Å; Y2886-L2924 HydrophobicContact CE1-CD1 4.06Å; Y2886-L2924 HydrophobicContact CE1-CD2 3.97Å; Y2886-F2931 AromaticContact CD1-CE1 3.8Å; Y2886-F2931 HydrophobicContact CD1-CE1 3.8Å; Y2886-F2931 HydrophobicContact CD1-CE2 4.38Å; Y2886-F2931 AromaticContact CD1-CZ 3.64Å; Y2886-F2931 HydrophobicContact CD1-CZ 3.64Å; Y2886-F2931 HydrophobicContact CE1-CE1 4.24Å; Y2886-F2931 HydrophobicContact CE1-CZ 4.42Å; Y2886-F2931 HydrophobicContact CG-CZ 4.5Å |
| 2887 | A | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2554 Q2883 A2884 M2885 L2890 A2891 F2931 Y2935 L2938 F2939 | L2554-A2887 HydrophobicContact CD1-CB 3.73Å; Q2883-A2887 VanDerWaalsContact O-CB 3.31Å; Q2883-A2887 WeakPolarHBondContact O-CB 3.35Å; Q2883-A2887 PolarHBondContact O-N 3.07Å; A2884-A2887 PolarHBondContact O-N 3.11Å; M2885-A2887 VanDerWaalsContact C-N 3.33Å; M2885-A2887 PolarHBondContact O-N 3.46Å; A2887-L2890 PolarHBondContact O-N 3.24Å; A2887-A2891 WeakPolarHBondContact O-CB 3.38Å; A2887-A2891 PolarHBondContact O-N 3.41Å; A2887-F2931 HydrophobicContact CB-CE2 3.91Å; A2887-F2931 HydrophobicContact CB-CZ 3.97Å; A2887-Y2935 HydrophobicContact CB-CD1 3.52Å; A2887-Y2935 HydrophobicContact CB-CD2 4.21Å; A2887-Y2935 HydrophobicContact CB-CE1 3.77Å; A2887-Y2935 HydrophobicContact CB-CE2 4.44Å; A2887-Y2935 HydrophobicContact CB-CG 3.75Å; A2887-L2938 HydrophobicContact CB-CD2 4.28Å; A2887-F2939 HydrophobicContact CB-CE1 4.18Å; A2887-F2939 HydrophobicContact CB-CZ 4.1Å |
| 2888 | Q | 94.6 | Very high | 91.8 | Very high | 4.5 Ų | 4.5 | 12.2 Ų | 12.2 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 173.8 | -174.8 | 65.3 | 32.3 | 0 | 0 | 111.3 | D2551 L2554 M2555 A2884 M2885 Y2886 L2890 A2891 D2892 | D2551-Q2888 PolarHBondContact O-NE2 3.28Å; L2554-Q2888 HydrophobicContact CB-CB 4.29Å; M2555-Q2888 HydrophobicContact CG-CB 3.92Å; M2555-Q2888 HydrophobicContact CG-CG 3.76Å; M2555-Q2888 HydrophobicContact SD-CB 4.35Å; M2555-Q2888 HydrophobicContact SD-CG 3.82Å; A2884-Q2888 PolarHBondContact O-N 3.14Å; M2885-Q2888 WeakPolarHBondContact O-CB 3.35Å; M2885-Q2888 PolarHBondContact O-N 2.95Å; Y2886-Q2888 VanDerWaalsContact C-N 3.32Å; Y2886-Q2888 PolarHBondContact O-N 3.42Å; Q2888-L2890 VanDerWaalsContact C-N 3.31Å; Q2888-L2890 PolarHBondContact O-N 3.03Å; Q2888-A2891 CarbonylContact O-C 3.47Å; Q2888-A2891 WeakPolarHBondContact O-CA 3.43Å; Q2888-A2891 WeakPolarHBondContact O-CB 3.36Å; Q2888-A2891 PolarHBondContact O-N 3.26Å; Q2888-A2891 VanDerWaalsContact O-N 3.08Å; Q2888-D2892 PolarHBondContact NE2-OD1 2.81Å; Q2888-D2892 PolarHBondContact O-N 3.11Å |
| 2889 | L | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 178.9 | -63.9 | 177.8 | 0 | 0 | 0 | 111.6 | C2838 L2841 H2842 W2856 L2860 F2865 M2885 Y2886 A2891 D2892 L2893 | C2838-L2889 HydrophobicContact CB-CD1 4.17Å; C2838-L2889 WeakPolarHBondContact O-CD2 3.23Å; L2841-L2889 HydrophobicContact CB-CD1 4.13Å; L2841-L2889 HydrophobicContact CB-CD2 3.76Å; L2841-L2889 HydrophobicContact CD1-CD1 4.04Å; H2842-L2889 HydrophobicContact CB-CD2 4.03Å; W2856-L2889 HydrophobicContact CH2-CB 4.32Å; W2856-L2889 WeakPolarHBondContact CH2-O 3.31Å; W2856-L2889 HydrophobicContact CZ2-CB 4.33Å; W2856-L2889 HydrophobicContact CZ2-CD2 4.11Å; L2860-L2889 HydrophobicContact CD1-CB 3.67Å; L2860-L2889 HydrophobicContact CD1-CD1 4.13Å; L2860-L2889 HydrophobicContact CD1-CG 4.41Å; F2865-L2889 HydrophobicContact CE1-CD1 4.18Å; F2865-L2889 HydrophobicContact CZ-CD1 4.18Å; M2885-L2889 WeakPolarHBondContact O-CG 3.25Å; M2885-L2889 PolarHBondContact O-N 3.26Å; M2885-L2889 VanDerWaalsContact O-N 3.12Å; Y2886-L2889 PolarHBondContact O-N 3.02Å; L2889-A2891 VanDerWaalsContact C-N 3.31Å; L2889-A2891 PolarHBondContact O-N 3.07Å; L2889-D2892 WeakPolarHBondContact CA-OD2 3.45Å; L2889-D2892 WeakPolarHBondContact O-CB 3.41Å; L2889-D2892 PolarHBondContact O-N 2.85Å; L2889-L2893 PolarHBondContact O-N 3.25Å; L2889-L2893 VanDerWaalsContact O-N 3.08Å |
| 2890 | L | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 175.2 | -172.6 | 57.9 | 0 | 0 | 0 | 111.2 | Y2886 A2887 Q2888 D2892 L2893 L2894 L2920 L2921 L2924 F2931 F2939 | Y2886-L2890 WeakPolarHBondContact O-CB 3.3Å; Y2886-L2890 PolarHBondContact O-N 3.3Å; A2887-L2890 PolarHBondContact O-N 3.24Å; Q2888-L2890 VanDerWaalsContact C-N 3.31Å; Q2888-L2890 PolarHBondContact O-N 3.03Å; L2890-D2892 VanDerWaalsContact C-N 3.31Å; L2890-D2892 PolarHBondContact O-N 3.24Å; L2890-L2893 HydrophobicContact CD1-CD2 4.24Å; L2890-L2893 PolarHBondContact O-N 3.04Å; L2890-L2894 HydrophobicContact CD1-CG 4.48Å; L2890-L2894 HydrophobicContact CG-CD1 4.11Å; L2890-L2894 HydrophobicContact CG-CG 4.46Å; L2890-L2894 WeakPolarHBondContact O-CB 3.26Å; L2890-L2894 WeakPolarHBondContact O-CG 3.38Å; L2890-L2894 PolarHBondContact O-N 3.11Å; L2890-L2920 HydrophobicContact CD1-CD2 4.14Å; L2890-L2921 HydrophobicContact CD1-CD2 4.47Å; L2890-L2921 HydrophobicContact CD2-CD2 4.14Å; L2890-L2924 HydrophobicContact CD2-CD1 3.88Å; L2890-F2931 HydrophobicContact CD2-CE1 4.43Å; L2890-F2939 HydrophobicContact CB-CE1 4.1Å; L2890-F2939 HydrophobicContact CB-CZ 4.49Å; L2890-F2939 HydrophobicContact CD2-CD1 4.42Å; L2890-F2939 HydrophobicContact CD2-CE1 3.87Å; L2890-F2939 HydrophobicContact CD2-CE2 4.08Å; L2890-F2939 HydrophobicContact CD2-CZ 3.69Å; L2890-F2939 HydrophobicContact CG-CD1 4.5Å; L2890-F2939 HydrophobicContact CG-CE1 4.1Å; L2890-F2939 HydrophobicContact CG-CZ 4.41Å |
| 2891 | A | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.3 | -39.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2887 Q2888 L2889 L2893 L2894 K2895 L2938 V2942 | A2887-A2891 WeakPolarHBondContact O-CB 3.38Å; A2887-A2891 PolarHBondContact O-N 3.41Å; Q2888-A2891 CarbonylContact O-C 3.47Å; Q2888-A2891 WeakPolarHBondContact O-CA 3.43Å; Q2888-A2891 WeakPolarHBondContact O-CB 3.36Å; Q2888-A2891 PolarHBondContact O-N 3.26Å; Q2888-A2891 VanDerWaalsContact O-N 3.08Å; L2889-A2891 VanDerWaalsContact C-N 3.31Å; L2889-A2891 PolarHBondContact O-N 3.07Å; A2891-L2893 VanDerWaalsContact C-N 3.34Å; A2891-L2893 PolarHBondContact O-N 3.4Å; A2891-L2894 PolarHBondContact O-N 3.08Å; A2891-K2895 WeakPolarHBondContact O-CB 3.42Å; A2891-K2895 VanDerWaalsContact O-CG 3.27Å; A2891-K2895 WeakPolarHBondContact O-CG 3.33Å; A2891-K2895 PolarHBondContact O-N 3.29Å; A2891-L2938 HydrophobicContact CB-CD2 4.43Å; A2891-V2942 HydrophobicContact CB-CG2 4.38Å |
| 2892 | D | 95 | Very high | 92.2 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 175.9 | -63.6 | -44 | 0 | 0 | 0 | 112 | H2842 R2845 Q2888 L2889 L2890 F2896 | H2842-D2892 IonicContact CE1-OD1 2.89Å; H2842-D2892 IonicContact CE1-OD2 3.69Å; H2842-D2892 IonicContact CG-OD2 3.75Å; H2842-D2892 IonicContact ND1-OD1 3.2Å; H2842-D2892 PolarHBondContact ND1-OD1 3.07Å; H2842-D2892 IonicContact ND1-OD2 3.43Å; H2842-D2892 PolarHBondContact ND1-OD2 3.38Å; R2845-D2892 HydrophobicContact CB-CB 4.01Å; R2845-D2892 WeakPolarHBondContact CD-OD1 3.48Å; R2845-D2892 WeakPolarHBondContact CD-OD2 3.43Å; R2845-D2892 HydrophobicContact CG-CB 3.68Å; R2845-D2892 IonicContact CZ-OD1 3.4Å; R2845-D2892 IonicContact NE-OD1 2.72Å; R2845-D2892 IonicContact NH1-OD1 2.99Å; R2845-D2892 PolarHBondContact NH1-OD1 3.3Å; Q2888-D2892 PolarHBondContact NE2-OD1 2.81Å; Q2888-D2892 PolarHBondContact O-N 3.11Å; L2889-D2892 WeakPolarHBondContact CA-OD2 3.45Å; L2889-D2892 WeakPolarHBondContact O-CB 3.41Å; L2889-D2892 PolarHBondContact O-N 2.85Å; L2890-D2892 VanDerWaalsContact C-N 3.31Å; L2890-D2892 PolarHBondContact O-N 3.24Å; D2892-F2896 PolarHBondContact O-N 3.11Å; D2892-F2896 VanDerWaalsContact O-N 3.13Å |
| 2893 | L | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 173.3 | 176.3 | 63.5 | 0 | 0 | 0 | 111.6 | W2856 L2857 L2860 L2889 L2890 A2891 F2896 L2897 L2913 T2917 L2920 | W2856-L2893 HydrophobicContact CH2-CB 4.14Å; W2856-L2893 HydrophobicContact CZ3-CB 3.92Å; W2856-L2893 HydrophobicContact CZ3-CD1 4.28Å; W2856-L2893 HydrophobicContact CZ3-CG 4.45Å; L2857-L2893 HydrophobicContact CD1-CD2 3.73Å; L2860-L2893 HydrophobicContact CD2-CD2 4.3Å; L2889-L2893 PolarHBondContact O-N 3.25Å; L2889-L2893 VanDerWaalsContact O-N 3.08Å; L2890-L2893 HydrophobicContact CD1-CD2 4.24Å; L2890-L2893 PolarHBondContact O-N 3.04Å; A2891-L2893 VanDerWaalsContact C-N 3.34Å; A2891-L2893 PolarHBondContact O-N 3.4Å; L2893-F2896 PolarHBondContact O-N 3.26Å; L2893-L2897 WeakPolarHBondContact O-CB 3.37Å; L2893-L2897 PolarHBondContact O-N 3.27Å; L2893-L2913 HydrophobicContact CD1-CD1 4.14Å; L2893-T2917 HydrophobicContact CD2-CG2 3.97Å; L2893-T2917 HydrophobicContact CG-CG2 4.43Å; L2893-L2920 HydrophobicContact CD2-CD2 4.34Å |
| 2894 | L | 95.3 | Very high | 91.5 | Very high | 1.5 Ų | 1.5 | 20 Ų | 20 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.8 | -35.6 | -178.3 | -67.2 | 173.8 | 0 | 0 | 0 | 111.8 | L2890 A2891 L2897 G2898 T2917 F2939 V2942 V2943 M2950 | L2890-L2894 HydrophobicContact CD1-CG 4.48Å; L2890-L2894 HydrophobicContact CG-CD1 4.11Å; L2890-L2894 HydrophobicContact CG-CG 4.46Å; L2890-L2894 WeakPolarHBondContact O-CB 3.26Å; L2890-L2894 WeakPolarHBondContact O-CG 3.38Å; L2890-L2894 PolarHBondContact O-N 3.11Å; A2891-L2894 PolarHBondContact O-N 3.08Å; L2894-L2897 PolarHBondContact O-N 3Å; L2894-G2898 WeakPolarHBondContact O-CA 3.3Å; L2894-G2898 PolarHBondContact O-N 3.02Å; L2894-T2917 HydrophobicContact CD2-CG2 3.94Å; L2894-F2939 HydrophobicContact CD1-CB 4.02Å; L2894-F2939 HydrophobicContact CD1-CD1 3.95Å; L2894-F2939 HydrophobicContact CD1-CG 4.19Å; L2894-V2942 VanDerWaalsContact C-CG1 3.45Å; L2894-V2942 HydrophobicContact CB-CB 4.46Å; L2894-V2942 HydrophobicContact CB-CG1 3.57Å; L2894-V2943 HydrophobicContact CB-CG2 4.31Å; L2894-V2943 HydrophobicContact CD1-CG2 4.04Å; L2894-V2943 HydrophobicContact CD2-CG2 3.97Å; L2894-V2943 HydrophobicContact CG-CG2 4.33Å; L2894-M2950 HydrophobicContact CD2-CE 4.45Å; L2894-M2950 HydrophobicContact CD2-SD 3.62Å |
| 2895 | K | 90.8 | Very high | 91.4 | Very high | 43.5 Ų | 43.5 | 23.8 Ų | 23.8 | 19% | 0.189 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -49.2 | 174.7 | -79.2 | 177.5 | -174.9 | 175.8 | 0 | 110.7 | D2551 A2891 L2897 G2898 Y2899 V2942 | D2551-K2895 VanDerWaalsContact CG-NZ 3.32Å; D2551-K2895 IonicContact OD1-NZ 3.79Å; D2551-K2895 PolarHBondContact OD1-NZ 3.11Å; D2551-K2895 IonicContact OD2-NZ 3.31Å; D2551-K2895 PolarHBondContact OD2-NZ 3.26Å; A2891-K2895 WeakPolarHBondContact O-CB 3.42Å; A2891-K2895 VanDerWaalsContact O-CG 3.27Å; A2891-K2895 WeakPolarHBondContact O-CG 3.33Å; A2891-K2895 PolarHBondContact O-N 3.29Å; K2895-L2897 VanDerWaalsContact C-N 3.34Å; K2895-L2897 PolarHBondContact O-N 3.06Å; K2895-G2898 PolarHBondContact O-N 3.24Å; K2895-G2898 VanDerWaalsContact O-N 3.09Å; K2895-Y2899 PolarHBondContact O-N 3.15Å; K2895-V2942 HydrophobicContact CB-CG1 4.06Å; K2895-V2942 HydrophobicContact CG-CB 4.41Å; K2895-V2942 HydrophobicContact CG-CG1 3.43Å; K2895-V2942 VanDerWaalsContact CG-CG1 3.43Å; K2895-V2942 HydrophobicContact CG-CG2 4.09Å; K2895-V2942 VanDerWaalsContact N-CG1 3.26Å |
| 2896 | F | 93.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 26.7 Ų | 26.7 | 9% | 0.092 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.5 | 179.1 | -104.5 | 0 | 0 | 0 | 111.9 | P2846 E2847 T2850 V2853 D2892 L2893 G2898 F2900 I2910 L2913 | P2846-F2896 HydrophobicContact CB-CB 3.82Å; P2846-F2896 HydrophobicContact CB-CD1 3.63Å; P2846-F2896 HydrophobicContact CB-CD2 3.8Å; P2846-F2896 HydrophobicContact CB-CE1 4.1Å; P2846-F2896 HydrophobicContact CB-CE2 4.25Å; P2846-F2896 HydrophobicContact CB-CG 3.46Å; P2846-F2896 VanDerWaalsContact CB-CG 3.46Å; P2846-F2896 HydrophobicContact CB-CZ 4.38Å; P2846-F2896 HydrophobicContact CG-CB 4.46Å; P2846-F2896 HydrophobicContact CG-CD1 4.5Å; P2846-F2896 HydrophobicContact CG-CG 4.45Å; E2847-F2896 HydrophobicContact CG-CB 4.25Å; E2847-F2896 HydrophobicContact CG-CD2 4.01Å; T2850-F2896 HydrophobicContact CG2-CE2 4.04Å; T2850-F2896 HydrophobicContact CG2-CZ 4.42Å; V2853-F2896 HydrophobicContact CG2-CD1 4.43Å; V2853-F2896 HydrophobicContact CG2-CE1 4.15Å; D2892-F2896 PolarHBondContact O-N 3.11Å; D2892-F2896 VanDerWaalsContact O-N 3.13Å; L2893-F2896 PolarHBondContact O-N 3.26Å; F2896-G2898 VanDerWaalsContact C-N 3.33Å; F2896-F2900 HydrophobicContact CD1-CE2 4.45Å; F2896-F2900 AromaticContact CE1-CE2 3.95Å; F2896-F2900 HydrophobicContact CE1-CE2 3.98Å; F2896-F2900 HydrophobicContact CE2-CE2 4.15Å; F2896-F2900 AromaticContact CZ-CE2 3.82Å; F2896-F2900 HydrophobicContact CZ-CE2 3.82Å; F2896-F2900 HydrophobicContact CZ-CZ 4.38Å; F2896-F2900 VanDerWaalsContact O-CD2 3.3Å; F2896-F2900 WeakPolarHBondContact O-CD2 3.43Å; F2896-I2910 HydrophobicContact CE1-CD1 4.33Å; F2896-L2913 HydrophobicContact CD1-CD2 3.91Å; F2896-L2913 HydrophobicContact CE1-CD2 3.78Å |
| 2897 | L | 92.5 | Very high | 91.2 | Very high | 0.5 Ų | 0.5 | 29.9 Ų | 29.9 | 0% | 0.003 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.4 | -32.9 | 178 | -168.7 | 61.6 | 0 | 0 | 0 | 112.3 | L2893 L2894 K2895 Y2899 F2900 L2901 I2910 L2913 Y2914 T2917 M2950 | L2893-L2897 WeakPolarHBondContact O-CB 3.37Å; L2893-L2897 PolarHBondContact O-N 3.27Å; L2894-L2897 PolarHBondContact O-N 3Å; K2895-L2897 VanDerWaalsContact C-N 3.34Å; K2895-L2897 PolarHBondContact O-N 3.06Å; L2897-Y2899 VanDerWaalsContact C-N 3.29Å; L2897-Y2899 PolarHBondContact O-N 3.12Å; L2897-F2900 PolarHBondContact O-N 3.13Å; L2897-F2900 VanDerWaalsContact O-N 3.1Å; L2897-L2901 HydrophobicContact CB-CD1 4.49Å; L2897-L2901 HydrophobicContact CD2-CD1 4.12Å; L2897-L2901 HydrophobicContact CG-CD1 3.77Å; L2897-L2901 HydrophobicContact CG-CG 4.05Å; L2897-L2901 WeakPolarHBondContact O-CG 3.19Å; L2897-L2901 PolarHBondContact O-N 3.14Å; L2897-I2910 HydrophobicContact CD1-CG2 3.86Å; L2897-L2913 HydrophobicContact CD1-CD2 4.3Å; L2897-L2913 HydrophobicContact CD1-CG 4.45Å; L2897-Y2914 HydrophobicContact CD2-CD2 3.97Å; L2897-T2917 HydrophobicContact CD2-CG2 4.18Å; L2897-M2950 HydrophobicContact CD2-CE 3.95Å |
| 2898 | G | 89.5 | Confident | 91.2 | Very high | 2.5 Ų | 2.5 | 37.6 Ų | 37.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.4 | -41.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2894 K2895 F2896 F2900 L2901 Q2902 P2944 | L2894-G2898 WeakPolarHBondContact O-CA 3.3Å; L2894-G2898 PolarHBondContact O-N 3.02Å; K2895-G2898 PolarHBondContact O-N 3.24Å; K2895-G2898 VanDerWaalsContact O-N 3.09Å; F2896-G2898 VanDerWaalsContact C-N 3.33Å; G2898-F2900 VanDerWaalsContact C-N 3.32Å; G2898-F2900 PolarHBondContact O-N 3.45Å; G2898-L2901 PolarHBondContact O-N 3.11Å; G2898-Q2902 VanDerWaalsContact O-CB 3.3Å; G2898-Q2902 WeakPolarHBondContact O-CB 3.26Å; G2898-Q2902 PolarHBondContact O-N 3.44Å; G2898-P2944 VanDerWaalsContact O-CG 3.28Å; G2898-P2944 WeakPolarHBondContact O-CG 3.37Å |
| 2899 | Y | 84.3 | Confident | 91.1 | Very high | 67 Ų | 67 | 41 Ų | 41 | 26% | 0.263 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.1 | -45.3 | 175.3 | 174.8 | -99.5 | 0 | 0 | 0 | 112.7 | K2895 L2897 N2903 F3169 L3171 | K2895-Y2899 PolarHBondContact O-N 3.15Å; L2897-Y2899 VanDerWaalsContact C-N 3.29Å; L2897-Y2899 PolarHBondContact O-N 3.12Å; Y2899-N2903 PolarHBondContact O-N 3.34Å; Y2899-N2903 PolarHBondContact O-ND2 3.15Å; Y2899-F3169 AromaticContact CD1-CD1 3.64Å; Y2899-F3169 HydrophobicContact CD1-CD1 3.64Å; Y2899-F3169 AromaticContact CD1-CE1 3.85Å; Y2899-F3169 HydrophobicContact CD1-CE1 3.85Å; Y2899-F3169 HydrophobicContact CD1-CG 4.21Å; Y2899-F3169 HydrophobicContact CD2-CB 3.73Å; Y2899-F3169 AromaticContact CD2-CD1 3.78Å; Y2899-F3169 HydrophobicContact CD2-CD1 3.78Å; Y2899-F3169 AromaticContact CD2-CD2 3.73Å; Y2899-F3169 HydrophobicContact CD2-CD2 3.73Å; Y2899-F3169 HydrophobicContact CD2-CE1 4.33Å; Y2899-F3169 HydrophobicContact CD2-CE2 4.29Å; Y2899-F3169 AromaticContact CD2-CG 3.46Å; Y2899-F3169 HydrophobicContact CD2-CG 3.46Å; Y2899-F3169 VanDerWaalsContact CD2-CG 3.46Å; Y2899-F3169 HydrophobicContact CE1-CB 4.42Å; Y2899-F3169 AromaticContact CE1-CD1 3.77Å; Y2899-F3169 HydrophobicContact CE1-CD1 3.77Å; Y2899-F3169 HydrophobicContact CE1-CE1 4.39Å; Y2899-F3169 HydrophobicContact CE1-CG 4.28Å; Y2899-F3169 HydrophobicContact CE2-CB 3.29Å; Y2899-F3169 AromaticContact CE2-CD1 3.93Å; Y2899-F3169 HydrophobicContact CE2-CD1 3.93Å; Y2899-F3169 HydrophobicContact CE2-CD2 4.23Å; Y2899-F3169 AromaticContact CE2-CG 3.57Å; Y2899-F3169 HydrophobicContact CE2-CG 3.57Å; Y2899-F3169 HydrophobicContact CG-CB 4.45Å; Y2899-F3169 AromaticContact CG-CD1 3.62Å; Y2899-F3169 HydrophobicContact CG-CD1 3.62Å; Y2899-F3169 HydrophobicContact CG-CD2 4.09Å; Y2899-F3169 AromaticContact CG-CE1 3.79Å; Y2899-F3169 HydrophobicContact CG-CE1 3.79Å; Y2899-F3169 HydrophobicContact CG-CE2 4.24Å; Y2899-F3169 AromaticContact CG-CG 3.79Å; Y2899-F3169 HydrophobicContact CG-CG 3.79Å; Y2899-F3169 HydrophobicContact CG-CZ 4.1Å; Y2899-F3169 AromaticContact CZ-CD1 3.9Å; Y2899-F3169 AromaticContact CZ-CG 3.96Å; Y2899-L3171 HydrophobicContact CE2-CB 4.49Å; Y2899-L3171 HydrophobicContact CE2-CD1 4.18Å; Y2899-L3171 VanDerWaalsContact OH-CD1 3.25Å; Y2899-L3171 WeakPolarHBondContact OH-CD1 3.46Å |
| 2900 | F | 89.2 | Confident | 91.1 | Very high | 41.5 Ų | 41.5 | 41.7 Ų | 41.7 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.4 | -40.2 | 179.4 | -65.9 | -77.9 | 0 | 0 | 0 | 112.1 | F2896 L2897 G2898 N2903 A2904 L2905 I2910 | F2896-F2900 HydrophobicContact CD1-CE2 4.45Å; F2896-F2900 AromaticContact CE1-CE2 3.95Å; F2896-F2900 HydrophobicContact CE1-CE2 3.98Å; F2896-F2900 HydrophobicContact CE2-CE2 4.15Å; F2896-F2900 AromaticContact CZ-CE2 3.82Å; F2896-F2900 HydrophobicContact CZ-CE2 3.82Å; F2896-F2900 HydrophobicContact CZ-CZ 4.38Å; F2896-F2900 VanDerWaalsContact O-CD2 3.3Å; F2896-F2900 WeakPolarHBondContact O-CD2 3.43Å; L2897-F2900 PolarHBondContact O-N 3.13Å; L2897-F2900 VanDerWaalsContact O-N 3.1Å; G2898-F2900 VanDerWaalsContact C-N 3.32Å; G2898-F2900 PolarHBondContact O-N 3.45Å; F2900-N2903 PolarHBondContact O-N 3.2Å; F2900-A2904 PolarHBondContact O-N 3.45Å; F2900-A2904 VanDerWaalsContact O-N 3.1Å; F2900-L2905 WeakPolarHBondContact CB-O 3.24Å; F2900-L2905 HydrophobicContact CD1-CB 4.15Å; F2900-L2905 PolarHBondContact O-N 2.9Å; F2900-I2910 HydrophobicContact CB-CG2 3.81Å; F2900-I2910 HydrophobicContact CD1-CD1 4.27Å; F2900-I2910 HydrophobicContact CD1-CG1 3.98Å; F2900-I2910 HydrophobicContact CD1-CG2 4.46Å; F2900-I2910 HydrophobicContact CD2-CD1 3.77Å; F2900-I2910 HydrophobicContact CD2-CG1 4.3Å; F2900-I2910 HydrophobicContact CD2-CG2 4.38Å; F2900-I2910 HydrophobicContact CE1-CD1 4.15Å; F2900-I2910 HydrophobicContact CE1-CG1 4.08Å; F2900-I2910 HydrophobicContact CE2-CD1 3.64Å; F2900-I2910 HydrophobicContact CE2-CG1 4.4Å; F2900-I2910 HydrophobicContact CG-CD1 4.09Å; F2900-I2910 HydrophobicContact CG-CG1 4.1Å; F2900-I2910 HydrophobicContact CG-CG2 3.97Å; F2900-I2910 HydrophobicContact CZ-CD1 3.85Å; F2900-I2910 HydrophobicContact CZ-CG1 4.29Å |
| 2901 | L | 89.1 | Confident | 91 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 179.9 | -68.1 | 173.8 | 0 | 0 | 0 | 111.6 | L2897 G2898 N2903 A2904 M2906 Y2914 P2944 N2946 M2950 | L2897-L2901 HydrophobicContact CB-CD1 4.49Å; L2897-L2901 HydrophobicContact CD2-CD1 4.12Å; L2897-L2901 HydrophobicContact CG-CD1 3.77Å; L2897-L2901 HydrophobicContact CG-CG 4.05Å; L2897-L2901 WeakPolarHBondContact O-CG 3.19Å; L2897-L2901 PolarHBondContact O-N 3.14Å; G2898-L2901 PolarHBondContact O-N 3.11Å; L2901-N2903 VanDerWaalsContact C-N 3.29Å; L2901-N2903 PolarHBondContact O-N 3.18Å; L2901-A2904 PolarHBondContact O-N 3.2Å; L2901-A2904 VanDerWaalsContact O-N 3.1Å; L2901-M2906 HydrophobicContact CD2-CE 4.04Å; L2901-M2906 HydrophobicContact CD2-SD 3.92Å; L2901-Y2914 HydrophobicContact CD1-CD2 4.24Å; L2901-Y2914 HydrophobicContact CD1-CE2 4.25Å; L2901-Y2914 HydrophobicContact CD2-CD2 3.73Å; L2901-Y2914 HydrophobicContact CD2-CE2 3.86Å; L2901-P2944 HydrophobicContact CB-CG 4.22Å; L2901-N2946 PolarHBondContact O-ND2 3.3Å; L2901-M2950 HydrophobicContact CD1-SD 4.32Å |
| 2902 | Q | 85 | Confident | 91.1 | Very high | 64.5 Ų | 64.5 | 49.7 Ų | 49.7 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 178.6 | -173.4 | 175.3 | 10.5 | 0 | 0 | 111.7 | G2898 A2904 P2944 D3173 | G2898-Q2902 VanDerWaalsContact O-CB 3.3Å; G2898-Q2902 WeakPolarHBondContact O-CB 3.26Å; G2898-Q2902 PolarHBondContact O-N 3.44Å; Q2902-A2904 VanDerWaalsContact C-N 3.32Å; Q2902-A2904 PolarHBondContact O-N 3.43Å; Q2902-P2944 HydrophobicContact CB-CB 4.16Å; Q2902-P2944 HydrophobicContact CB-CG 3.94Å; Q2902-D3173 VanDerWaalsContact NE2-CG 3.33Å; Q2902-D3173 PolarHBondContact NE2-OD2 3.47Å; Q2902-D3173 PolarHBondContact OE1-OD2 2.9Å |
| 2903 | N | 83.2 | Confident | 91.2 | Very high | 66.5 Ų | 66.5 | 49.7 Ų | 49.7 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 4.7 | -179.7 | -66.1 | -62.6 | 0 | 0 | 0 | 113.9 | Y2899 F2900 L2901 L2905 | Y2899-N2903 PolarHBondContact O-N 3.34Å; Y2899-N2903 PolarHBondContact O-ND2 3.15Å; F2900-N2903 PolarHBondContact O-N 3.2Å; L2901-N2903 VanDerWaalsContact C-N 3.29Å; L2901-N2903 PolarHBondContact O-N 3.18Å; N2903-L2905 HydrophobicContact CB-CD1 3.89Å; N2903-L2905 HydrophobicContact CB-CG 3.8Å; N2903-L2905 PolarHBondContact O-N 3.2Å; N2903-L2905 VanDerWaalsContact O-N 3.09Å |
| 2904 | A | 85.1 | Confident | 91.1 | Very high | 78.5 Ų | 78.5 | 51.7 Ų | 51.7 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 29 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | F2900 L2901 Q2902 M2906 | F2900-A2904 PolarHBondContact O-N 3.45Å; F2900-A2904 VanDerWaalsContact O-N 3.1Å; L2901-A2904 PolarHBondContact O-N 3.2Å; L2901-A2904 VanDerWaalsContact O-N 3.1Å; Q2902-A2904 VanDerWaalsContact C-N 3.32Å; Q2902-A2904 PolarHBondContact O-N 3.43Å; A2904-M2906 PolarHBondContact O-N 3.09Å |
| 2905 | L | 87.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 57.4 Ų | 57.4 | 45% | 0.445 | 30% | 0.297 | S | S | . | . | trans | -87.7 | 100.7 | 179.5 | -66.8 | 177.3 | 0 | 0 | 0 | 109.5 | F2900 N2903 P2907 | F2900-L2905 WeakPolarHBondContact CB-O 3.24Å; F2900-L2905 HydrophobicContact CD1-CB 4.15Å; F2900-L2905 PolarHBondContact O-N 2.9Å; N2903-L2905 HydrophobicContact CB-CD1 3.89Å; N2903-L2905 HydrophobicContact CB-CG 3.8Å; N2903-L2905 PolarHBondContact O-N 3.2Å; N2903-L2905 VanDerWaalsContact O-N 3.09Å; L2905-P2907 VanDerWaalsContact O-CD 3.26Å; L2905-P2907 WeakPolarHBondContact O-CD 3.33Å | ||
| 2906 | M | 87.4 | Confident | 91.4 | Very high | 64.5 Ų | 64.5 | 56.8 Ų | 56.8 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | trans | -120.5 | 62.6 | -172.9 | -114.5 | -6.6 | -7 | 0 | 0 | 112.5 | L2901 A2904 I2910 Q2911 Y2914 | L2901-M2906 HydrophobicContact CD2-CE 4.04Å; L2901-M2906 HydrophobicContact CD2-SD 3.92Å; A2904-M2906 PolarHBondContact O-N 3.09Å; M2906-I2910 HydrophobicContact CE-CG2 4.34Å; M2906-I2910 HydrophobicContact SD-CB 4.48Å; M2906-I2910 HydrophobicContact SD-CG2 3.89Å; M2906-Q2911 HydrophobicContact CB-CG 4.22Å; M2906-Q2911 HydrophobicContact CE-CG 4.08Å; M2906-Q2911 HydrophobicContact CG-CG 3.38Å; M2906-Q2911 WeakPolarHBondContact O-CG 3.39Å; M2906-Q2911 PolarHBondContact O-NE2 3.07Å; M2906-Q2911 HydrophobicContact SD-CB 4.36Å; M2906-Q2911 HydrophobicContact SD-CG 3.7Å; M2906-Y2914 HydrophobicContact CE-CD1 4.2Å; M2906-Y2914 HydrophobicContact CE-CG 4.02Å | ||
| 2907 | P | 93.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | trans | -64.5 | 157.4 | 171.4 | 30.5 | -35.4 | 0 | 0 | 0 | 110.7 | L2905 P2909 I2910 Q2911 | L2905-P2907 VanDerWaalsContact O-CD 3.26Å; L2905-P2907 WeakPolarHBondContact O-CD 3.33Å; P2907-P2909 VanDerWaalsContact C-CD 3.5Å; P2907-I2910 HydrophobicContact CG-CB 3.94Å; P2907-I2910 HydrophobicContact CG-CG1 3.62Å; P2907-I2910 WeakPolarHBondContact O-CA 3.39Å; P2907-I2910 WeakPolarHBondContact O-CB 3.44Å; P2907-I2910 PolarHBondContact O-N 3.21Å; P2907-Q2911 PolarHBondContact O-N 3.16Å | ||
| 2908 | K | 95.4 | Very high | 91.7 | Very high | 163.5 Ų | 163.5 | 56.9 Ų | 56.9 | 71% | 0.711 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -50.8 | -43 | -173.1 | -169.6 | 175.6 | -177.5 | 179.4 | 0 | 114.4 | I2910 Q2911 C2912 | K2908-I2910 VanDerWaalsContact C-N 3.33Å; K2908-I2910 PolarHBondContact O-N 3.04Å; K2908-Q2911 WeakPolarHBondContact O-CB 3.39Å; K2908-Q2911 PolarHBondContact O-N 3.01Å; K2908-C2912 PolarHBondContact O-N 3.43Å; K2908-C2912 PolarHBondContact O-SG 3.42Å; K2908-C2912 VanDerWaalsContact O-SG 3.37Å |
| 2909 | P | 94.1 | Very high | 92 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.4 | -23.7 | 35.6 | 0 | 0 | 0 | 113.2 | F2854 P2907 Q2911 C2912 L2913 | F2854-P2909 HydrophobicContact CE2-CB 4.41Å; F2854-P2909 HydrophobicContact CZ-CB 4.29Å; F2854-P2909 WeakPolarHBondContact CZ-O 3.15Å; P2907-P2909 VanDerWaalsContact C-CD 3.5Å; P2909-Q2911 VanDerWaalsContact C-N 3.35Å; P2909-C2912 WeakPolarHBondContact O-CB 3.39Å; P2909-C2912 PolarHBondContact O-N 2.99Å; P2909-L2913 PolarHBondContact O-N 3.41Å |
| 2910 | I | 95 | Very high | 92.5 | Very high | 15.5 Ų | 15.5 | 61.6 Ų | 61.6 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.7 | -34.1 | 177.6 | -61.2 | -61.7 | 0 | 0 | 0 | 111.2 | F2896 L2897 F2900 M2906 P2907 K2908 C2912 L2913 Y2914 | F2896-I2910 HydrophobicContact CE1-CD1 4.33Å; L2897-I2910 HydrophobicContact CD1-CG2 3.86Å; F2900-I2910 HydrophobicContact CB-CG2 3.81Å; F2900-I2910 HydrophobicContact CD1-CD1 4.27Å; F2900-I2910 HydrophobicContact CD1-CG1 3.98Å; F2900-I2910 HydrophobicContact CD1-CG2 4.46Å; F2900-I2910 HydrophobicContact CD2-CD1 3.77Å; F2900-I2910 HydrophobicContact CD2-CG1 4.3Å; F2900-I2910 HydrophobicContact CD2-CG2 4.38Å; F2900-I2910 HydrophobicContact CE1-CD1 4.15Å; F2900-I2910 HydrophobicContact CE1-CG1 4.08Å; F2900-I2910 HydrophobicContact CE2-CD1 3.64Å; F2900-I2910 HydrophobicContact CE2-CG1 4.4Å; F2900-I2910 HydrophobicContact CG-CD1 4.09Å; F2900-I2910 HydrophobicContact CG-CG1 4.1Å; F2900-I2910 HydrophobicContact CG-CG2 3.97Å; F2900-I2910 HydrophobicContact CZ-CD1 3.85Å; F2900-I2910 HydrophobicContact CZ-CG1 4.29Å; M2906-I2910 HydrophobicContact CE-CG2 4.34Å; M2906-I2910 HydrophobicContact SD-CB 4.48Å; M2906-I2910 HydrophobicContact SD-CG2 3.89Å; P2907-I2910 HydrophobicContact CG-CB 3.94Å; P2907-I2910 HydrophobicContact CG-CG1 3.62Å; P2907-I2910 WeakPolarHBondContact O-CA 3.39Å; P2907-I2910 WeakPolarHBondContact O-CB 3.44Å; P2907-I2910 PolarHBondContact O-N 3.21Å; K2908-I2910 VanDerWaalsContact C-N 3.33Å; K2908-I2910 PolarHBondContact O-N 3.04Å; I2910-C2912 VanDerWaalsContact C-N 3.33Å; I2910-C2912 PolarHBondContact O-N 2.97Å; I2910-L2913 HydrophobicContact CD1-CD2 4.31Å; I2910-L2913 PolarHBondContact O-N 3.18Å; I2910-Y2914 VanDerWaalsContact O-CB 3.31Å; I2910-Y2914 WeakPolarHBondContact O-CB 3.43Å; I2910-Y2914 PolarHBondContact O-N 3.2Å |
| 2911 | Q | 95.5 | Very high | 92.9 | Very high | 102.5 Ų | 102.5 | 59.6 Ų | 59.6 | 48% | 0.479 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 170.1 | -67.5 | 176.7 | 23.2 | 0 | 0 | 111.7 | M2906 P2907 K2908 P2909 Y2914 K2915 | M2906-Q2911 HydrophobicContact CB-CG 4.22Å; M2906-Q2911 HydrophobicContact CE-CG 4.08Å; M2906-Q2911 HydrophobicContact CG-CG 3.38Å; M2906-Q2911 WeakPolarHBondContact O-CG 3.39Å; M2906-Q2911 PolarHBondContact O-NE2 3.07Å; M2906-Q2911 HydrophobicContact SD-CB 4.36Å; M2906-Q2911 HydrophobicContact SD-CG 3.7Å; P2907-Q2911 PolarHBondContact O-N 3.16Å; K2908-Q2911 WeakPolarHBondContact O-CB 3.39Å; K2908-Q2911 PolarHBondContact O-N 3.01Å; P2909-Q2911 VanDerWaalsContact C-N 3.35Å; Q2911-Y2914 PolarHBondContact O-N 2.98Å; Q2911-K2915 WeakPolarHBondContact O-CB 3.36Å; Q2911-K2915 PolarHBondContact O-N 3.09Å |
| 2912 | C | 96.4 | Very high | 93.1 | Very high | 66.5 Ų | 66.5 | 63 Ų | 63 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.1 | -68 | 0 | 0 | 0 | 0 | 111.1 | F2854 K2908 P2909 I2910 Y2914 K2915 A2916 | F2854-C2912 HydrophobicContact CE1-CB 4.21Å; F2854-C2912 HydrophobicContact CZ-CB 4.25Å; K2908-C2912 PolarHBondContact O-N 3.43Å; K2908-C2912 PolarHBondContact O-SG 3.42Å; K2908-C2912 VanDerWaalsContact O-SG 3.37Å; P2909-C2912 WeakPolarHBondContact O-CB 3.39Å; P2909-C2912 PolarHBondContact O-N 2.99Å; I2910-C2912 VanDerWaalsContact C-N 3.33Å; I2910-C2912 PolarHBondContact O-N 2.97Å; C2912-Y2914 PolarHBondContact O-N 2.59Å; C2912-K2915 PolarHBondContact O-N 3.05Å; C2912-A2916 WeakPolarHBondContact O-CB 3.32Å; C2912-A2916 PolarHBondContact O-N 2.87Å |
| 2913 | L | 96.3 | Very high | 93.5 | Very high | 1.5 Ų | 1.5 | 63.6 Ų | 63.6 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.9 | -174.3 | 62.9 | 0 | 0 | 0 | 112.1 | V2853 F2854 L2857 L2893 F2896 L2897 P2909 I2910 A2916 T2917 | V2853-L2913 HydrophobicContact CG2-CD1 3.94Å; V2853-L2913 HydrophobicContact CG2-CD2 3.87Å; F2854-L2913 HydrophobicContact CE1-CB 4.39Å; F2854-L2913 HydrophobicContact CZ-CB 4.47Å; L2857-L2913 HydrophobicContact CD2-CD1 3.79Å; L2893-L2913 HydrophobicContact CD1-CD1 4.14Å; F2896-L2913 HydrophobicContact CD1-CD2 3.91Å; F2896-L2913 HydrophobicContact CE1-CD2 3.78Å; L2897-L2913 HydrophobicContact CD1-CD2 4.3Å; L2897-L2913 HydrophobicContact CD1-CG 4.45Å; P2909-L2913 PolarHBondContact O-N 3.41Å; I2910-L2913 HydrophobicContact CD1-CD2 4.31Å; I2910-L2913 PolarHBondContact O-N 3.18Å; L2913-A2916 PolarHBondContact O-N 2.91Å; L2913-T2917 WeakPolarHBondContact O-CB 3.49Å; L2913-T2917 PolarHBondContact O-N 3.31Å; L2913-T2917 PolarHBondContact O-OG1 3.16Å |
| 2914 | Y | 95.8 | Very high | 94 | Very high | 42.5 Ų | 42.5 | 60.5 Ų | 60.5 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.4 | 177.3 | -102 | 0 | 0 | 0 | 111.3 | L2897 L2901 M2906 I2910 Q2911 C2912 A2916 T2917 L2918 Q2949 M2950 | L2897-Y2914 HydrophobicContact CD2-CD2 3.97Å; L2901-Y2914 HydrophobicContact CD1-CD2 4.24Å; L2901-Y2914 HydrophobicContact CD1-CE2 4.25Å; L2901-Y2914 HydrophobicContact CD2-CD2 3.73Å; L2901-Y2914 HydrophobicContact CD2-CE2 3.86Å; M2906-Y2914 HydrophobicContact CE-CD1 4.2Å; M2906-Y2914 HydrophobicContact CE-CG 4.02Å; I2910-Y2914 VanDerWaalsContact O-CB 3.31Å; I2910-Y2914 WeakPolarHBondContact O-CB 3.43Å; I2910-Y2914 PolarHBondContact O-N 3.2Å; Q2911-Y2914 PolarHBondContact O-N 2.98Å; C2912-Y2914 PolarHBondContact O-N 2.59Å; Y2914-A2916 VanDerWaalsContact C-N 3.33Å; Y2914-A2916 PolarHBondContact O-N 3.43Å; Y2914-T2917 WeakPolarHBondContact O-CB 3.23Å; Y2914-T2917 PolarHBondContact O-N 2.98Å; Y2914-L2918 HydrophobicContact CD1-CD1 3.99Å; Y2914-L2918 HydrophobicContact CD1-CG 4.37Å; Y2914-L2918 HydrophobicContact CE1-CD1 3.38Å; Y2914-L2918 VanDerWaalsContact CE1-CD1 3.4Å; Y2914-L2918 HydrophobicContact CE1-CD2 4.47Å; Y2914-L2918 HydrophobicContact CE1-CG 4.01Å; Y2914-L2918 HydrophobicContact CE2-CD2 4.36Å; Y2914-L2918 HydrophobicContact CE2-CG 4.4Å; Y2914-L2918 WeakPolarHBondContact O-CG 3.4Å; Y2914-L2918 PolarHBondContact O-N 2.92Å; Y2914-Q2949 PolarHBondContact OH-OE1 2.95Å; Y2914-M2950 HydrophobicContact CD2-CE 3.79Å; Y2914-M2950 HydrophobicContact CE2-CE 3.58Å |
| 2915 | K | 95.8 | Very high | 94.4 | Very high | 120.5 Ų | 120.5 | 58.4 Ų | 58.4 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.3 | -172.9 | 177.9 | -177.5 | 177.3 | 0 | 112.1 | Q2911 C2912 L2918 R2919 | Q2911-K2915 WeakPolarHBondContact O-CB 3.36Å; Q2911-K2915 PolarHBondContact O-N 3.09Å; C2912-K2915 PolarHBondContact O-N 3.05Å; K2915-L2918 PolarHBondContact O-N 3.12Å; K2915-R2919 WeakPolarHBondContact O-CG 3.35Å; K2915-R2919 PolarHBondContact O-N 3.06Å; K2915-R2919 VanDerWaalsContact O-N 3.1Å |
| 2916 | A | 96.4 | Very high | 94.5 | Very high | 31.5 Ų | 31.5 | 61.1 Ų | 61.1 | 26% | 0.26 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2857 C2912 L2913 Y2914 R2919 L2920 | L2857-A2916 HydrophobicContact CD2-CB 3.6Å; C2912-A2916 WeakPolarHBondContact O-CB 3.32Å; C2912-A2916 PolarHBondContact O-N 2.87Å; L2913-A2916 PolarHBondContact O-N 2.91Å; Y2914-A2916 VanDerWaalsContact C-N 3.33Å; Y2914-A2916 PolarHBondContact O-N 3.43Å; A2916-R2919 WeakPolarHBondContact O-CB 3.37Å; A2916-R2919 PolarHBondContact O-N 3.07Å; A2916-L2920 PolarHBondContact O-N 3.03Å |
| 2917 | T | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.9 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | L2893 L2894 L2897 L2913 Y2914 R2919 L2920 L2921 M2950 | L2893-T2917 HydrophobicContact CD2-CG2 3.97Å; L2893-T2917 HydrophobicContact CG-CG2 4.43Å; L2894-T2917 HydrophobicContact CD2-CG2 3.94Å; L2897-T2917 HydrophobicContact CD2-CG2 4.18Å; L2913-T2917 WeakPolarHBondContact O-CB 3.49Å; L2913-T2917 PolarHBondContact O-N 3.31Å; L2913-T2917 PolarHBondContact O-OG1 3.16Å; Y2914-T2917 WeakPolarHBondContact O-CB 3.23Å; Y2914-T2917 PolarHBondContact O-N 2.98Å; T2917-R2919 VanDerWaalsContact C-N 3.34Å; T2917-R2919 PolarHBondContact O-N 3.33Å; T2917-L2920 WeakPolarHBondContact O-CB 3.23Å; T2917-L2920 PolarHBondContact O-N 3.2Å; T2917-L2921 HydrophobicContact CG2-CD1 4.37Å; T2917-L2921 WeakPolarHBondContact O-CG 3.28Å; T2917-L2921 PolarHBondContact O-N 3.29Å; T2917-M2950 HydrophobicContact CG2-CE 3.78Å |
| 2918 | L | 95.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.2 | -70.3 | -176.8 | 0 | 0 | 0 | 112.2 | Y2914 K2915 L2921 L2922 M2950 I2953 | Y2914-L2918 HydrophobicContact CD1-CD1 3.99Å; Y2914-L2918 HydrophobicContact CD1-CG 4.37Å; Y2914-L2918 HydrophobicContact CE1-CD1 3.38Å; Y2914-L2918 VanDerWaalsContact CE1-CD1 3.4Å; Y2914-L2918 HydrophobicContact CE1-CD2 4.47Å; Y2914-L2918 HydrophobicContact CE1-CG 4.01Å; Y2914-L2918 HydrophobicContact CE2-CD2 4.36Å; Y2914-L2918 HydrophobicContact CE2-CG 4.4Å; Y2914-L2918 WeakPolarHBondContact O-CG 3.4Å; Y2914-L2918 PolarHBondContact O-N 2.92Å; K2915-L2918 PolarHBondContact O-N 3.12Å; L2918-L2921 PolarHBondContact O-N 3.08Å; L2918-L2922 WeakPolarHBondContact O-CB 3.28Å; L2918-L2922 VanDerWaalsContact O-CG 3.29Å; L2918-L2922 WeakPolarHBondContact O-CG 3.3Å; L2918-L2922 PolarHBondContact O-N 3.29Å; L2918-M2950 HydrophobicContact CD2-CB 4.27Å; L2918-M2950 HydrophobicContact CD2-CE 3.82Å; L2918-M2950 HydrophobicContact CD2-CG 4.37Å; L2918-M2950 HydrophobicContact CG-CE 4.41Å; L2918-I2953 HydrophobicContact CD2-CD1 3.76Å |
| 2919 | R | 95.2 | Very high | 94.4 | Very high | 154 Ų | 154 | 52.9 Ų | 52.9 | 58% | 0.581 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 176.2 | -73.5 | 171.9 | 172.5 | -174.6 | -6.6 | 111.6 | K2915 A2916 T2917 L2922 V2923 | K2915-R2919 WeakPolarHBondContact O-CG 3.35Å; K2915-R2919 PolarHBondContact O-N 3.06Å; K2915-R2919 VanDerWaalsContact O-N 3.1Å; A2916-R2919 WeakPolarHBondContact O-CB 3.37Å; A2916-R2919 PolarHBondContact O-N 3.07Å; T2917-R2919 VanDerWaalsContact C-N 3.34Å; T2917-R2919 PolarHBondContact O-N 3.33Å; R2919-L2922 PolarHBondContact O-N 3.04Å; R2919-V2923 WeakPolarHBondContact O-CG2 3.19Å; R2919-V2923 PolarHBondContact O-N 2.94Å |
| 2920 | L | 95.6 | Very high | 94.1 | Very high | 13.5 Ų | 13.5 | 52.1 Ų | 52.1 | 7% | 0.071 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 174.7 | 174.6 | 58.7 | 0 | 0 | 0 | 111 | L2857 L2860 T2861 L2890 L2893 A2916 T2917 L2922 V2923 L2924 | L2857-L2920 HydrophobicContact CD1-CD2 4.1Å; L2860-L2920 HydrophobicContact CD2-CD1 4.47Å; L2860-L2920 HydrophobicContact CD2-CD2 3.75Å; T2861-L2920 HydrophobicContact CG2-CB 4.3Å; T2861-L2920 HydrophobicContact CG2-CD1 3.7Å; T2861-L2920 HydrophobicContact CG2-CD2 3.91Å; T2861-L2920 HydrophobicContact CG2-CG 4.17Å; L2890-L2920 HydrophobicContact CD1-CD2 4.14Å; L2893-L2920 HydrophobicContact CD2-CD2 4.34Å; A2916-L2920 PolarHBondContact O-N 3.03Å; T2917-L2920 WeakPolarHBondContact O-CB 3.23Å; T2917-L2920 PolarHBondContact O-N 3.2Å; L2920-L2922 VanDerWaalsContact C-N 3.31Å; L2920-L2922 PolarHBondContact O-N 2.99Å; L2920-V2923 PolarHBondContact O-N 2.99Å; L2920-V2923 VanDerWaalsContact O-N 3.16Å; L2920-L2924 HydrophobicContact CD1-CD1 4.06Å; L2920-L2924 HydrophobicContact CD1-CG 4.04Å; L2920-L2924 HydrophobicContact CG-CD1 3.99Å; L2920-L2924 HydrophobicContact CG-CG 4.4Å; L2920-L2924 VanDerWaalsContact O-CG 3.32Å; L2920-L2924 WeakPolarHBondContact O-CG 3.08Å; L2920-L2924 PolarHBondContact O-N 3.33Å |
| 2921 | L | 95.7 | Very high | 94 | Very high | 0.5 Ų | 0.5 | 51.6 Ų | 51.6 | 0% | 0.003 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 177.9 | -70.3 | 172 | 0 | 0 | 0 | 112 | L2890 T2917 L2918 V2923 L2924 I2925 M2950 I2953 I2954 | L2890-L2921 HydrophobicContact CD1-CD2 4.47Å; L2890-L2921 HydrophobicContact CD2-CD2 4.14Å; T2917-L2921 HydrophobicContact CG2-CD1 4.37Å; T2917-L2921 WeakPolarHBondContact O-CG 3.28Å; T2917-L2921 PolarHBondContact O-N 3.29Å; L2918-L2921 PolarHBondContact O-N 3.08Å; L2921-V2923 VanDerWaalsContact C-N 3.34Å; L2921-V2923 PolarHBondContact O-N 2.96Å; L2921-L2924 PolarHBondContact O-N 3.28Å; L2921-I2925 WeakPolarHBondContact O-CB 3.5Å; L2921-I2925 WeakPolarHBondContact O-CD1 3.29Å; L2921-I2925 VanDerWaalsContact O-CG1 3.29Å; L2921-I2925 WeakPolarHBondContact O-CG1 3.44Å; L2921-I2925 WeakPolarHBondContact O-CG2 3.39Å; L2921-I2925 PolarHBondContact O-N 3.37Å; L2921-M2950 HydrophobicContact CD1-CE 4.19Å; L2921-M2950 HydrophobicContact CD1-CG 3.69Å; L2921-M2950 HydrophobicContact CD1-SD 4.27Å; L2921-I2953 HydrophobicContact CB-CG2 3.96Å; L2921-I2954 HydrophobicContact CD1-CD1 4.34Å; L2921-I2954 HydrophobicContact CD1-CG1 4.25Å; L2921-I2954 HydrophobicContact CD2-CG1 4.28Å |
| 2922 | L | 94.6 | Very high | 93.9 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -41.4 | 176 | -74 | 169.3 | 0 | 0 | 0 | 112.5 | L2918 R2919 L2920 I2925 H2926 I2953 | L2918-L2922 WeakPolarHBondContact O-CB 3.28Å; L2918-L2922 VanDerWaalsContact O-CG 3.29Å; L2918-L2922 WeakPolarHBondContact O-CG 3.3Å; L2918-L2922 PolarHBondContact O-N 3.29Å; R2919-L2922 PolarHBondContact O-N 3.04Å; L2920-L2922 VanDerWaalsContact C-N 3.31Å; L2920-L2922 PolarHBondContact O-N 2.99Å; L2922-I2925 HydrophobicContact CD2-CD1 4.13Å; L2922-I2925 WeakPolarHBondContact O-CG1 3.12Å; L2922-H2926 WeakPolarHBondContact O-CB 3.39Å; L2922-H2926 PolarHBondContact O-N 3.04Å; L2922-H2926 VanDerWaalsContact O-N 3.1Å; L2922-I2953 HydrophobicContact CD2-CG2 4.31Å |
| 2923 | V | 93.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 44 Ų | 44 | 46% | 0.461 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | R2919 L2920 L2921 I2925 H2926 D2927 | R2919-V2923 WeakPolarHBondContact O-CG2 3.19Å; R2919-V2923 PolarHBondContact O-N 2.94Å; L2920-V2923 PolarHBondContact O-N 2.99Å; L2920-V2923 VanDerWaalsContact O-N 3.16Å; L2921-V2923 VanDerWaalsContact C-N 3.34Å; L2921-V2923 PolarHBondContact O-N 2.96Å; V2923-I2925 PolarHBondContact O-N 2.97Å; V2923-H2926 PolarHBondContact O-N 3.26Å; V2923-D2927 WeakPolarHBondContact O-CB 3.38Å; V2923-D2927 PolarHBondContact O-N 3.05Å |
| 2924 | L | 94 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -41 | -179.5 | -69.1 | 173.9 | 0 | 0 | 0 | 112.6 | L2870 Y2886 L2890 L2920 L2921 H2926 F2928 F2931 V2932 | L2870-L2924 HydrophobicContact CD1-CD2 3.75Å; Y2886-L2924 HydrophobicContact CE1-CD1 4.06Å; Y2886-L2924 HydrophobicContact CE1-CD2 3.97Å; L2890-L2924 HydrophobicContact CD2-CD1 3.88Å; L2920-L2924 HydrophobicContact CD1-CD1 4.06Å; L2920-L2924 HydrophobicContact CD1-CG 4.04Å; L2920-L2924 HydrophobicContact CG-CD1 3.99Å; L2920-L2924 HydrophobicContact CG-CG 4.4Å; L2920-L2924 VanDerWaalsContact O-CG 3.32Å; L2920-L2924 WeakPolarHBondContact O-CG 3.08Å; L2920-L2924 PolarHBondContact O-N 3.33Å; L2921-L2924 PolarHBondContact O-N 3.28Å; L2924-H2926 VanDerWaalsContact C-N 3.28Å; L2924-H2926 PolarHBondContact O-N 3.15Å; L2924-F2928 HydrophobicContact CD2-CD2 4.06Å; L2924-F2928 CarbonylContact O-C 3.59Å; L2924-F2928 WeakPolarHBondContact O-CA 3.49Å; L2924-F2928 PolarHBondContact O-N 3.43Å; L2924-F2931 HydrophobicContact CD1-CE1 4.48Å; L2924-V2932 HydrophobicContact CB-CG2 3.79Å |
| 2925 | I | 91.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 18% | 0.179 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -30.6 | 177.2 | -3.1 | 163.5 | 0 | 0 | 0 | 112 | L2921 L2922 V2923 P2929 V2932 I2953 A2957 | L2921-I2925 WeakPolarHBondContact O-CB 3.5Å; L2921-I2925 WeakPolarHBondContact O-CD1 3.29Å; L2921-I2925 VanDerWaalsContact O-CG1 3.29Å; L2921-I2925 WeakPolarHBondContact O-CG1 3.44Å; L2921-I2925 WeakPolarHBondContact O-CG2 3.39Å; L2921-I2925 PolarHBondContact O-N 3.37Å; L2922-I2925 HydrophobicContact CD2-CD1 4.13Å; L2922-I2925 WeakPolarHBondContact O-CG1 3.12Å; V2923-I2925 PolarHBondContact O-N 2.97Å; I2925-P2929 VanDerWaalsContact O-CB 3.29Å; I2925-P2929 WeakPolarHBondContact O-CB 3.2Å; I2925-V2932 HydrophobicContact CG1-CB 4.21Å; I2925-V2932 HydrophobicContact CG1-CG1 3.9Å; I2925-V2932 HydrophobicContact CG1-CG2 4.06Å; I2925-V2932 HydrophobicContact CG2-CB 4.32Å; I2925-V2932 HydrophobicContact CG2-CG1 4.04Å; I2925-V2932 HydrophobicContact CG2-CG2 4.12Å; I2925-I2953 VanDerWaalsContact CD1-C 3.48Å; I2925-I2953 HydrophobicContact CD1-CB 4.32Å; I2925-I2953 HydrophobicContact CD1-CG2 3.7Å; I2925-I2953 WeakPolarHBondContact CD1-O 3.46Å; I2925-I2953 HydrophobicContact CG2-CG2 4.44Å; I2925-A2957 HydrophobicContact CG1-CB 4.23Å; I2925-A2957 HydrophobicContact CG2-CB 4.24Å |
| 2926 | H | 90.5 | Very high | 93 | Very high | 141.5 Ų | 141.5 | 39.5 Ų | 39.5 | 66% | 0.655 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -78.3 | -51.3 | 179.3 | -179.6 | -87.7 | 0 | 0 | 0 | 111.8 | L2922 V2923 L2924 | L2922-H2926 WeakPolarHBondContact O-CB 3.39Å; L2922-H2926 PolarHBondContact O-N 3.04Å; L2922-H2926 VanDerWaalsContact O-N 3.1Å; V2923-H2926 PolarHBondContact O-N 3.26Å; L2924-H2926 VanDerWaalsContact C-N 3.28Å; L2924-H2926 PolarHBondContact O-N 3.15Å |
| 2927 | D | 91.2 | Very high | 92.8 | Very high | 78.5 Ų | 78.5 | 38.1 Ų | 38.1 | 42% | 0.42 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -84.6 | -37.7 | -173 | -68.1 | -6.1 | 0 | 0 | 0 | 112 | V2923 P2929 K2960 | V2923-D2927 WeakPolarHBondContact O-CB 3.38Å; V2923-D2927 PolarHBondContact O-N 3.05Å; D2927-P2929 VanDerWaalsContact C-CD 3.43Å; D2927-K2960 PolarHBondContact O-NZ 3.45Å |
| 2928 | F | 92 | Very high | 92.5 | Very high | 36.5 Ų | 36.5 | 39 Ų | 39 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | trans | -128.8 | 53.4 | -174.2 | -53.1 | -75.9 | 0 | 0 | 0 | 113.2 | V2866 L2870 S2871 L2924 E2930 F2931 V2932 | V2866-F2928 HydrophobicContact CG1-CD2 4.41Å; V2866-F2928 HydrophobicContact CG1-CE2 3.65Å; V2866-F2928 HydrophobicContact CG1-CZ 4.21Å; L2870-F2928 HydrophobicContact CB-CD1 3.78Å; L2870-F2928 HydrophobicContact CB-CD2 4.41Å; L2870-F2928 HydrophobicContact CB-CE1 3.68Å; L2870-F2928 HydrophobicContact CB-CE2 4.33Å; L2870-F2928 HydrophobicContact CB-CG 4.15Å; L2870-F2928 HydrophobicContact CB-CZ 3.97Å; L2870-F2928 HydrophobicContact CD1-CB 4.35Å; L2870-F2928 HydrophobicContact CD1-CD1 4.41Å; L2870-F2928 HydrophobicContact CD1-CD2 3.79Å; L2870-F2928 HydrophobicContact CD1-CE2 4.17Å; L2870-F2928 HydrophobicContact CD1-CG 3.92Å; S2871-F2928 WeakPolarHBondContact OG-CE1 3.24Å; S2871-F2928 VanDerWaalsContact OG-CZ 3.3Å; S2871-F2928 WeakPolarHBondContact OG-CZ 3.21Å; L2924-F2928 HydrophobicContact CD2-CD2 4.06Å; L2924-F2928 CarbonylContact O-C 3.59Å; L2924-F2928 WeakPolarHBondContact O-CA 3.49Å; L2924-F2928 PolarHBondContact O-N 3.43Å; F2928-E2930 VanDerWaalsContact C-N 3.26Å; F2928-E2930 PolarHBondContact O-N 2.92Å; F2928-F2931 HydrophobicContact CB-CB 4.12Å; F2928-F2931 WeakPolarHBondContact O-CB 3.44Å; F2928-F2931 PolarHBondContact O-N 3.15Å; F2928-F2931 VanDerWaalsContact O-N 3.11Å; F2928-V2932 PolarHBondContact O-N 3.03Å | ||
| 2929 | P | 90.4 | Very high | 92.4 | Very high | 7.5 Ų | 7.5 | 37.9 Ų | 37.9 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -36.6 | -176.1 | 20.7 | -31.3 | 0 | 0 | 0 | 113.2 | I2925 D2927 F2931 V2932 S2933 L2958 K2960 | I2925-P2929 VanDerWaalsContact O-CB 3.29Å; I2925-P2929 WeakPolarHBondContact O-CB 3.2Å; D2927-P2929 VanDerWaalsContact C-CD 3.43Å; P2929-F2931 VanDerWaalsContact C-N 3.3Å; P2929-F2931 PolarHBondContact O-N 3.19Å; P2929-V2932 PolarHBondContact O-N 3.39Å; P2929-S2933 WeakPolarHBondContact O-CB 3.43Å; P2929-S2933 PolarHBondContact O-N 3.11Å; P2929-S2933 PolarHBondContact O-OG 2.86Å; P2929-L2958 WeakPolarHBondContact CB-O 3.39Å; P2929-K2960 HydrophobicContact CG-CD 4.27Å; P2929-K2960 HydrophobicContact CG-CG 3.93Å |
| 2930 | E | 88.3 | Confident | 92.2 | Very high | 58.5 Ų | 58.5 | 31.2 Ų | 31.2 | 27% | 0.273 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 179.1 | -63.5 | 128.8 | -173.8 | 0 | 0 | 111.8 | F2928 S2933 D2934 P2959 K2960 | F2928-E2930 VanDerWaalsContact C-N 3.26Å; F2928-E2930 PolarHBondContact O-N 2.92Å; E2930-S2933 VanDerWaalsContact CA-OG 3.28Å; E2930-S2933 WeakPolarHBondContact CA-OG 3.48Å; E2930-S2933 PolarHBondContact O-N 3.26Å; E2930-S2933 PolarHBondContact O-OG 2.86Å; E2930-D2934 VanDerWaalsContact O-CB 3.3Å; E2930-D2934 WeakPolarHBondContact O-CB 3.48Å; E2930-D2934 VanDerWaalsContact O-CG 3.24Å; E2930-D2934 PolarHBondContact O-N 3.28Å; E2930-P2959 HydrophobicContact CG-CB 4.43Å; E2930-K2960 WeakPolarHBondContact OE1-CB 3.37Å; E2930-K2960 VanDerWaalsContact OE1-CG 3.3Å; E2930-K2960 WeakPolarHBondContact OE1-CG 3.47Å; E2930-K2960 PolarHBondContact OE1-N 3.27Å |
| 2931 | F | 92.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 177.5 | 164.8 | -104.1 | 0 | 0 | 0 | 111.2 | L2870 Q2883 Y2886 A2887 L2890 L2924 F2928 P2929 S2933 D2934 Y2935 F2939 | L2870-F2931 HydrophobicContact CD1-CD1 4.26Å; L2870-F2931 HydrophobicContact CD1-CG 4.48Å; L2870-F2931 HydrophobicContact CD2-CD1 4.45Å; L2870-F2931 HydrophobicContact CD2-CD2 3.95Å; L2870-F2931 HydrophobicContact CD2-CE2 4.19Å; L2870-F2931 HydrophobicContact CD2-CG 4.09Å; Q2883-F2931 HydrophobicContact CB-CD2 4Å; Q2883-F2931 HydrophobicContact CB-CE2 4.23Å; Q2883-F2931 HydrophobicContact CG-CD2 4.09Å; Q2883-F2931 WeakPolarHBondContact O-CE2 3.29Å; Y2886-F2931 AromaticContact CD1-CE1 3.8Å; Y2886-F2931 HydrophobicContact CD1-CE1 3.8Å; Y2886-F2931 HydrophobicContact CD1-CE2 4.38Å; Y2886-F2931 AromaticContact CD1-CZ 3.64Å; Y2886-F2931 HydrophobicContact CD1-CZ 3.64Å; Y2886-F2931 HydrophobicContact CE1-CE1 4.24Å; Y2886-F2931 HydrophobicContact CE1-CZ 4.42Å; Y2886-F2931 HydrophobicContact CG-CZ 4.5Å; A2887-F2931 HydrophobicContact CB-CE2 3.91Å; A2887-F2931 HydrophobicContact CB-CZ 3.97Å; L2890-F2931 HydrophobicContact CD2-CE1 4.43Å; L2924-F2931 HydrophobicContact CD1-CE1 4.48Å; F2928-F2931 HydrophobicContact CB-CB 4.12Å; F2928-F2931 WeakPolarHBondContact O-CB 3.44Å; F2928-F2931 PolarHBondContact O-N 3.15Å; F2928-F2931 VanDerWaalsContact O-N 3.11Å; P2929-F2931 VanDerWaalsContact C-N 3.3Å; P2929-F2931 PolarHBondContact O-N 3.19Å; F2931-S2933 VanDerWaalsContact C-N 3.33Å; F2931-S2933 PolarHBondContact O-N 2.81Å; F2931-D2934 PolarHBondContact O-N 3.21Å; F2931-Y2935 AromaticContact CD2-CD2 3.76Å; F2931-Y2935 HydrophobicContact CD2-CD2 3.76Å; F2931-Y2935 AromaticContact CD2-CE2 4Å; F2931-Y2935 HydrophobicContact CD2-CE2 4.02Å; F2931-Y2935 AromaticContact CE2-CD2 3.66Å; F2931-Y2935 HydrophobicContact CE2-CD2 3.66Å; F2931-Y2935 AromaticContact CE2-CE2 3.93Å; F2931-Y2935 HydrophobicContact CE2-CE2 3.98Å; F2931-Y2935 HydrophobicContact CE2-CG 4.37Å; F2931-Y2935 WeakPolarHBondContact O-CD2 3.37Å; F2931-Y2935 PolarHBondContact O-N 3.33Å; F2931-Y2935 VanDerWaalsContact O-N 3.14Å; F2931-F2939 HydrophobicContact CE1-CE2 4.43Å; F2931-F2939 HydrophobicContact CE1-CZ 4.16Å; F2931-F2939 HydrophobicContact CZ-CE2 4.5Å; F2931-F2939 AromaticContact CZ-CZ 3.89Å; F2931-F2939 HydrophobicContact CZ-CZ 3.89Å |
| 2932 | V | 93.1 | Very high | 91.4 | Very high | 0.5 Ų | 0.5 | 33.5 Ų | 33.5 | 0% | 0.003 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | L2924 I2925 F2928 P2929 D2934 Y2935 Y2936 I2954 A2957 | L2924-V2932 HydrophobicContact CB-CG2 3.79Å; I2925-V2932 HydrophobicContact CG1-CB 4.21Å; I2925-V2932 HydrophobicContact CG1-CG1 3.9Å; I2925-V2932 HydrophobicContact CG1-CG2 4.06Å; I2925-V2932 HydrophobicContact CG2-CB 4.32Å; I2925-V2932 HydrophobicContact CG2-CG1 4.04Å; I2925-V2932 HydrophobicContact CG2-CG2 4.12Å; F2928-V2932 PolarHBondContact O-N 3.03Å; P2929-V2932 PolarHBondContact O-N 3.39Å; V2932-D2934 VanDerWaalsContact C-N 3.35Å; V2932-D2934 PolarHBondContact O-N 2.91Å; V2932-Y2935 PolarHBondContact O-N 2.98Å; V2932-Y2936 WeakPolarHBondContact O-CA 3.38Å; V2932-Y2936 WeakPolarHBondContact O-CB 3.23Å; V2932-Y2936 PolarHBondContact O-N 3.07Å; V2932-I2954 HydrophobicContact CG1-CG2 4.18Å; V2932-A2957 HydrophobicContact CB-CB 3.83Å; V2932-A2957 HydrophobicContact CG1-CB 3.76Å |
| 2933 | S | 90 | Very high | 91.2 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -32.8 | 176.8 | 119.1 | 0 | 0 | 0 | 0 | 113.3 | P2929 E2930 F2931 Y2936 P2959 R3242 Y3243 | P2929-S2933 WeakPolarHBondContact O-CB 3.43Å; P2929-S2933 PolarHBondContact O-N 3.11Å; P2929-S2933 PolarHBondContact O-OG 2.86Å; E2930-S2933 VanDerWaalsContact CA-OG 3.28Å; E2930-S2933 WeakPolarHBondContact CA-OG 3.48Å; E2930-S2933 PolarHBondContact O-N 3.26Å; E2930-S2933 PolarHBondContact O-OG 2.86Å; F2931-S2933 VanDerWaalsContact C-N 3.33Å; F2931-S2933 PolarHBondContact O-N 2.81Å; S2933-Y2936 WeakPolarHBondContact O-CD1 3.25Å; S2933-P2959 WeakPolarHBondContact OG-CG 3.15Å; S2933-R3242 PolarHBondContact O-NH1 3.44Å; S2933-R3242 PolarHBondContact OG-NH1 2.94Å; S2933-Y3243 VanDerWaalsContact OG-CE1 3.23Å; S2933-Y3243 WeakPolarHBondContact OG-CE1 3.4Å; S2933-Y3243 PolarHBondContact OG-OH 3.48Å |
| 2934 | D | 90.5 | Very high | 90.9 | Very high | 18.5 Ų | 18.5 | 26.6 Ų | 26.6 | 10% | 0.099 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75 | -33.9 | 178.9 | -77.1 | -16.6 | 0 | 0 | 0 | 111.4 | E2930 F2931 V2932 T2984 Y2986 | E2930-D2934 VanDerWaalsContact O-CB 3.3Å; E2930-D2934 WeakPolarHBondContact O-CB 3.48Å; E2930-D2934 VanDerWaalsContact O-CG 3.24Å; E2930-D2934 PolarHBondContact O-N 3.28Å; F2931-D2934 PolarHBondContact O-N 3.21Å; V2932-D2934 VanDerWaalsContact C-N 3.35Å; V2932-D2934 PolarHBondContact O-N 2.91Å; D2934-T2984 PolarHBondContact OD1-OG1 3.48Å; D2934-Y2986 WeakPolarHBondContact O-CB 3.17Å; D2934-Y2986 PolarHBondContact O-N 2.92Å |
| 2935 | Y | 93.1 | Very high | 90.4 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -105.8 | 8 | -176.6 | -70.1 | -88 | 0 | 0 | 0 | 114.7 | L2554 I2818 Q2883 A2884 A2887 F2931 V2932 A2937 L2938 F2939 Y2986 | L2554-Y2935 HydrophobicContact CD1-CD1 4.04Å; L2554-Y2935 HydrophobicContact CD1-CE1 3.66Å; I2818-Y2935 HydrophobicContact CD1-CE1 4.1Å; Q2883-Y2935 HydrophobicContact CB-CE2 3.94Å; A2884-Y2935 WeakPolarHBondContact CA-OH 3.3Å; A2884-Y2935 PolarHBondContact N-OH 3.24Å; A2887-Y2935 HydrophobicContact CB-CD1 3.52Å; A2887-Y2935 HydrophobicContact CB-CD2 4.21Å; A2887-Y2935 HydrophobicContact CB-CE1 3.77Å; A2887-Y2935 HydrophobicContact CB-CE2 4.44Å; A2887-Y2935 HydrophobicContact CB-CG 3.75Å; F2931-Y2935 AromaticContact CD2-CD2 3.76Å; F2931-Y2935 HydrophobicContact CD2-CD2 3.76Å; F2931-Y2935 AromaticContact CD2-CE2 4Å; F2931-Y2935 HydrophobicContact CD2-CE2 4.02Å; F2931-Y2935 AromaticContact CE2-CD2 3.66Å; F2931-Y2935 HydrophobicContact CE2-CD2 3.66Å; F2931-Y2935 AromaticContact CE2-CE2 3.93Å; F2931-Y2935 HydrophobicContact CE2-CE2 3.98Å; F2931-Y2935 HydrophobicContact CE2-CG 4.37Å; F2931-Y2935 WeakPolarHBondContact O-CD2 3.37Å; F2931-Y2935 PolarHBondContact O-N 3.33Å; F2931-Y2935 VanDerWaalsContact O-N 3.14Å; V2932-Y2935 PolarHBondContact O-N 2.98Å; Y2935-A2937 PolarHBondContact O-N 3.14Å; Y2935-A2937 VanDerWaalsContact O-N 3.12Å; Y2935-L2938 HydrophobicContact CD1-CD2 4.19Å; Y2935-L2938 WeakPolarHBondContact O-CB 3.16Å; Y2935-L2938 PolarHBondContact O-N 3.14Å; Y2935-L2938 VanDerWaalsContact O-N 3.11Å; Y2935-F2939 VanDerWaalsContact CB-CZ 3.48Å; Y2935-F2939 HydrophobicContact CG-CZ 4.45Å; Y2935-F2939 WeakPolarHBondContact O-CD2 3.44Å; Y2935-F2939 PolarHBondContact O-N 3.36Å; Y2935-F2939 VanDerWaalsContact O-N 3.16Å; Y2935-Y2986 HydrophobicContact CD1-CD1 4.33Å; Y2935-Y2986 AromaticContact CD1-CD2 3.96Å; Y2935-Y2986 HydrophobicContact CD1-CD2 4.17Å; Y2935-Y2986 AromaticContact CD1-CG 3.74Å; Y2935-Y2986 HydrophobicContact CD1-CG 3.74Å; Y2935-Y2986 AromaticContact CE1-CD2 3.77Å; Y2935-Y2986 HydrophobicContact CE1-CD2 4.13Å; Y2935-Y2986 AromaticContact CE1-CG 3.86Å; Y2935-Y2986 HydrophobicContact CE1-CG 3.86Å |
| 2936 | Y | 92.9 | Very high | 90.1 | Very high | 41.5 Ų | 41.5 | 31.5 Ų | 31.5 | 16% | 0.163 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53 | -39.4 | -175.9 | 81.9 | -76.5 | 0 | 0 | 0 | 113.6 | V2932 S2933 L2938 F2939 C2940 L2955 C2987 Q3240 R3242 | V2932-Y2936 WeakPolarHBondContact O-CA 3.38Å; V2932-Y2936 WeakPolarHBondContact O-CB 3.23Å; V2932-Y2936 PolarHBondContact O-N 3.07Å; S2933-Y2936 WeakPolarHBondContact O-CD1 3.25Å; Y2936-L2938 PolarHBondContact O-N 3.16Å; Y2936-F2939 PolarHBondContact O-N 2.89Å; Y2936-C2940 WeakPolarHBondContact O-CB 3.31Å; Y2936-C2940 PolarHBondContact O-N 3.06Å; Y2936-C2940 PolarHBondContact O-SG 3.2Å; Y2936-C2940 VanDerWaalsContact O-SG 3.37Å; Y2936-L2955 HydrophobicContact CD2-CD2 3.74Å; Y2936-L2955 HydrophobicContact CE2-CD2 4.35Å; Y2936-L2955 HydrophobicContact CG-CD2 4.47Å; Y2936-C2987 HydrophobicContact CE1-CB 3.67Å; Y2936-C2987 VanDerWaalsContact CE1-SG 3.56Å; Y2936-C2987 WeakPolarHBondContact OH-CB 3.19Å; Y2936-Q3240 PolarHBondContact OH-OE1 3.12Å; Y2936-R3242 VanDerWaalsContact CD1-CZ 3.43Å; Y2936-R3242 VanDerWaalsContact CZ-CZ 3.42Å |
| 2937 | A | 90.8 | Very high | 90.1 | Very high | 3.5 Ų | 3.5 | 25.2 Ų | 25.2 | 3% | 0.029 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y2935 F2939 C2940 D2941 Y2986 C2987 L3187 | Y2935-A2937 PolarHBondContact O-N 3.14Å; Y2935-A2937 VanDerWaalsContact O-N 3.12Å; A2937-F2939 VanDerWaalsContact C-N 3.35Å; A2937-F2939 PolarHBondContact O-N 3.32Å; A2937-C2940 PolarHBondContact O-N 3.15Å; A2937-D2941 WeakPolarHBondContact O-CB 3.1Å; A2937-D2941 VanDerWaalsContact O-CG 3.3Å; A2937-D2941 PolarHBondContact O-N 3.48Å; A2937-Y2986 HydrophobicContact CB-CD1 4.08Å; A2937-C2987 HydrophobicContact CB-CB 4.38Å; A2937-L3187 HydrophobicContact CB-CD1 4.27Å |
| 2938 | L | 91.3 | Very high | 90.1 | Very high | 19.5 Ų | 19.5 | 24.7 Ų | 24.7 | 10% | 0.102 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.3 | -47.1 | 173.7 | 175 | 67.4 | 0 | 0 | 0 | 111.3 | L2554 A2887 A2891 Y2935 Y2936 C2940 D2941 V2942 Y2986 | L2554-L2938 HydrophobicContact CD1-CD2 3.62Å; L2554-L2938 HydrophobicContact CG-CD2 4.3Å; A2887-L2938 HydrophobicContact CB-CD2 4.28Å; A2891-L2938 HydrophobicContact CB-CD2 4.43Å; Y2935-L2938 HydrophobicContact CD1-CD2 4.19Å; Y2935-L2938 WeakPolarHBondContact O-CB 3.16Å; Y2935-L2938 PolarHBondContact O-N 3.14Å; Y2935-L2938 VanDerWaalsContact O-N 3.11Å; Y2936-L2938 PolarHBondContact O-N 3.16Å; L2938-C2940 VanDerWaalsContact C-N 3.33Å; L2938-C2940 PolarHBondContact O-N 2.86Å; L2938-D2941 PolarHBondContact O-N 3.03Å; L2938-V2942 WeakPolarHBondContact O-CG2 3.15Å; L2938-V2942 PolarHBondContact O-N 2.99Å; L2938-Y2986 HydrophobicContact CB-CD1 3.98Å; L2938-Y2986 HydrophobicContact CB-CE1 3.86Å; L2938-Y2986 HydrophobicContact CB-CG 4.38Å |
| 2939 | F | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.4 | -37.6 | -178.9 | -54.9 | -37.2 | 0 | 0 | 0 | 112 | A2887 L2890 L2894 F2931 Y2935 Y2936 A2937 D2941 V2942 V2943 I2954 | A2887-F2939 HydrophobicContact CB-CE1 4.18Å; A2887-F2939 HydrophobicContact CB-CZ 4.1Å; L2890-F2939 HydrophobicContact CB-CE1 4.1Å; L2890-F2939 HydrophobicContact CB-CZ 4.49Å; L2890-F2939 HydrophobicContact CD2-CD1 4.42Å; L2890-F2939 HydrophobicContact CD2-CE1 3.87Å; L2890-F2939 HydrophobicContact CD2-CE2 4.08Å; L2890-F2939 HydrophobicContact CD2-CZ 3.69Å; L2890-F2939 HydrophobicContact CG-CD1 4.5Å; L2890-F2939 HydrophobicContact CG-CE1 4.1Å; L2890-F2939 HydrophobicContact CG-CZ 4.41Å; L2894-F2939 HydrophobicContact CD1-CB 4.02Å; L2894-F2939 HydrophobicContact CD1-CD1 3.95Å; L2894-F2939 HydrophobicContact CD1-CG 4.19Å; F2931-F2939 HydrophobicContact CE1-CE2 4.43Å; F2931-F2939 HydrophobicContact CE1-CZ 4.16Å; F2931-F2939 HydrophobicContact CZ-CE2 4.5Å; F2931-F2939 AromaticContact CZ-CZ 3.89Å; F2931-F2939 HydrophobicContact CZ-CZ 3.89Å; Y2935-F2939 VanDerWaalsContact CB-CZ 3.48Å; Y2935-F2939 HydrophobicContact CG-CZ 4.45Å; Y2935-F2939 WeakPolarHBondContact O-CD2 3.44Å; Y2935-F2939 PolarHBondContact O-N 3.36Å; Y2935-F2939 VanDerWaalsContact O-N 3.16Å; Y2936-F2939 PolarHBondContact O-N 2.89Å; A2937-F2939 VanDerWaalsContact C-N 3.35Å; A2937-F2939 PolarHBondContact O-N 3.32Å; F2939-D2941 VanDerWaalsContact C-N 3.34Å; F2939-V2942 PolarHBondContact O-N 3.28Å; F2939-V2943 WeakPolarHBondContact O-CB 3.15Å; F2939-V2943 VanDerWaalsContact O-CG2 3.23Å; F2939-V2943 WeakPolarHBondContact O-CG2 3.32Å; F2939-V2943 PolarHBondContact O-N 3.03Å; F2939-I2954 HydrophobicContact CB-CD1 3.87Å; F2939-I2954 HydrophobicContact CB-CG2 4.24Å; F2939-I2954 HydrophobicContact CD2-CG2 4.3Å |
| 2940 | C | 91.2 | Very high | 90.3 | Very high | 12.5 Ų | 12.5 | 26 Ų | 26 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.8 | -27.1 | 177.1 | -72.6 | 0 | 0 | 0 | 0 | 113.6 | Y2936 A2937 L2938 V2942 R2951 | Y2936-C2940 WeakPolarHBondContact O-CB 3.31Å; Y2936-C2940 PolarHBondContact O-N 3.06Å; Y2936-C2940 PolarHBondContact O-SG 3.2Å; Y2936-C2940 VanDerWaalsContact O-SG 3.37Å; A2937-C2940 PolarHBondContact O-N 3.15Å; L2938-C2940 VanDerWaalsContact C-N 3.33Å; L2938-C2940 PolarHBondContact O-N 2.86Å; C2940-V2942 VanDerWaalsContact C-N 3.34Å; C2940-R2951 PolarHBondContact O-NH1 3.47Å; C2940-R2951 PolarHBondContact O-NH2 3.13Å |
| 2941 | D | 87 | Confident | 90.5 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 20% | 0.203 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.6 | -35.1 | 172.9 | -73.4 | -21 | 0 | 0 | 0 | 111.1 | A2937 L2938 F2939 T3183 | A2937-D2941 WeakPolarHBondContact O-CB 3.1Å; A2937-D2941 VanDerWaalsContact O-CG 3.3Å; A2937-D2941 PolarHBondContact O-N 3.48Å; L2938-D2941 PolarHBondContact O-N 3.03Å; F2939-D2941 VanDerWaalsContact C-N 3.34Å; D2941-T3183 WeakPolarHBondContact OD1-CB 3.35Å; D2941-T3183 WeakPolarHBondContact OD1-CG2 3.27Å; D2941-T3183 PolarHBondContact OD1-OG1 3.31Å |
| 2942 | V | 87.1 | Confident | 90.5 | Very high | 24 Ų | 24 | 27.2 Ų | 27.2 | 15% | 0.145 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -80.6 | -39 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 112.9 | A2891 L2894 K2895 L2938 F2939 C2940 P2944 | A2891-V2942 HydrophobicContact CB-CG2 4.38Å; L2894-V2942 VanDerWaalsContact C-CG1 3.45Å; L2894-V2942 HydrophobicContact CB-CB 4.46Å; L2894-V2942 HydrophobicContact CB-CG1 3.57Å; K2895-V2942 HydrophobicContact CB-CG1 4.06Å; K2895-V2942 HydrophobicContact CG-CB 4.41Å; K2895-V2942 HydrophobicContact CG-CG1 3.43Å; K2895-V2942 VanDerWaalsContact CG-CG1 3.43Å; K2895-V2942 HydrophobicContact CG-CG2 4.09Å; K2895-V2942 VanDerWaalsContact N-CG1 3.26Å; L2938-V2942 WeakPolarHBondContact O-CG2 3.15Å; L2938-V2942 PolarHBondContact O-N 2.99Å; F2939-V2942 PolarHBondContact O-N 3.28Å; C2940-V2942 VanDerWaalsContact C-N 3.34Å; V2942-P2944 WeakPolarHBondContact O-CD 3.48Å |
| 2943 | V | 90.5 | Very high | 90.6 | Very high | 2.5 Ų | 2.5 | 27.9 Ų | 27.9 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -76.5 | 124.3 | -177.4 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | L2894 F2939 M2950 R2951 I2954 | L2894-V2943 HydrophobicContact CB-CG2 4.31Å; L2894-V2943 HydrophobicContact CD1-CG2 4.04Å; L2894-V2943 HydrophobicContact CD2-CG2 3.97Å; L2894-V2943 HydrophobicContact CG-CG2 4.33Å; F2939-V2943 WeakPolarHBondContact O-CB 3.15Å; F2939-V2943 VanDerWaalsContact O-CG2 3.23Å; F2939-V2943 WeakPolarHBondContact O-CG2 3.32Å; F2939-V2943 PolarHBondContact O-N 3.03Å; V2943-M2950 HydrophobicContact CG1-CB 4.23Å; V2943-M2950 HydrophobicContact CG1-CG 4.18Å; V2943-M2950 HydrophobicContact CG1-SD 4.18Å; V2943-M2950 HydrophobicContact CG2-CG 4.24Å; V2943-M2950 HydrophobicContact CG2-SD 3.93Å; V2943-R2951 HydrophobicContact CB-CG 4.32Å; V2943-R2951 HydrophobicContact CG1-CG 3.74Å; V2943-R2951 VanDerWaalsContact O-CZ 3.25Å; V2943-R2951 PolarHBondContact O-NE 3.14Å; V2943-R2951 PolarHBondContact O-NH2 3.38Å; V2943-I2954 HydrophobicContact CG2-CD1 4.19Å |
| 2944 | P | 87 | Confident | 90.8 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | trans | -56.3 | 151.2 | 178.2 | -28.6 | 36.6 | 0 | 0 | 0 | 114.4 | G2898 L2901 Q2902 V2942 N2946 S2947 R2951 | G2898-P2944 VanDerWaalsContact O-CG 3.28Å; G2898-P2944 WeakPolarHBondContact O-CG 3.37Å; L2901-P2944 HydrophobicContact CB-CG 4.22Å; Q2902-P2944 HydrophobicContact CB-CB 4.16Å; Q2902-P2944 HydrophobicContact CB-CG 3.94Å; V2942-P2944 WeakPolarHBondContact O-CD 3.48Å; P2944-N2946 VanDerWaalsContact C-N 3.28Å; P2944-N2946 WeakPolarHBondContact CB-OD1 3.31Å; P2944-N2946 PolarHBondContact O-N 3.22Å; P2944-S2947 WeakPolarHBondContact O-CB 3.47Å; P2944-S2947 PolarHBondContact O-N 2.89Å; P2944-S2947 VanDerWaalsContact O-N 3.1Å; P2944-R2951 PolarHBondContact O-NE 3.34Å | ||
| 2945 | S | 84 | Confident | 90.9 | Very high | 57.5 Ų | 57.5 | 29 Ų | 29 | 40% | 0.402 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.2 | -177.6 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | S2947 | S2945-S2947 VanDerWaalsContact C-N 3.27Å; S2945-S2947 PolarHBondContact O-N 2.97Å |
| 2946 | N | 84.9 | Confident | 90.7 | Very high | 81.5 Ų | 81.5 | 31.1 Ų | 31.1 | 44% | 0.436 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.5 | 175 | 67.8 | -27.9 | 0 | 0 | 0 | 113.3 | L2901 P2944 I2948 | L2901-N2946 PolarHBondContact O-ND2 3.3Å; P2944-N2946 VanDerWaalsContact C-N 3.28Å; P2944-N2946 WeakPolarHBondContact CB-OD1 3.31Å; P2944-N2946 PolarHBondContact O-N 3.22Å; N2946-I2948 PolarHBondContact O-N 2.96Å |
| 2947 | S | 90.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | trans | -85 | 62.4 | 176 | -163.1 | 0 | 0 | 0 | 0 | 111.6 | P2944 S2945 Q2949 M2950 R2951 | P2944-S2947 WeakPolarHBondContact O-CB 3.47Å; P2944-S2947 PolarHBondContact O-N 2.89Å; P2944-S2947 VanDerWaalsContact O-N 3.1Å; S2945-S2947 VanDerWaalsContact C-N 3.27Å; S2945-S2947 PolarHBondContact O-N 2.97Å; S2947-Q2949 VanDerWaalsContact C-N 3.34Å; S2947-Q2949 PolarHBondContact O-N 3.07Å; S2947-M2950 PolarHBondContact O-N 3.27Å; S2947-M2950 WeakPolarHBondContact OG-CB 3.46Å; S2947-R2951 PolarHBondContact O-N 2.6Å; S2947-R2951 VanDerWaalsContact O-N 3.14Å | ||
| 2948 | I | 91 | Very high | 90.1 | Very high | 68 Ų | 68 | 33.7 Ų | 33.7 | 35% | 0.349 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.3 | -43.2 | -171.3 | -58.9 | 162.9 | 0 | 0 | 0 | 111.6 | N2946 M2950 R2951 N2952 E3277 R3278 V3281 | N2946-I2948 PolarHBondContact O-N 2.96Å; I2948-M2950 VanDerWaalsContact C-N 3.32Å; I2948-M2950 PolarHBondContact O-N 2.83Å; I2948-R2951 PolarHBondContact O-N 3.06Å; I2948-N2952 WeakPolarHBondContact O-CB 3.37Å; I2948-N2952 PolarHBondContact O-N 3.33Å; I2948-N2952 PolarHBondContact O-OD1 3.12Å; I2948-E3277 HydrophobicContact CD1-CB 3.91Å; I2948-E3277 WeakPolarHBondContact CG2-O 3.49Å; I2948-R3278 HydrophobicContact CG2-CB 4.38Å; I2948-R3278 HydrophobicContact CG2-CG 4.12Å; I2948-V3281 HydrophobicContact CB-CG1 4.01Å; I2948-V3281 HydrophobicContact CG2-CG1 3.83Å; I2948-V3281 HydrophobicContact CG2-CG2 4.07Å |
| 2949 | Q | 92.8 | Very high | 89.4 | Confident | 71 Ų | 71 | 34 Ų | 34 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.9 | -45.3 | -179.7 | -177.5 | 125.1 | 49.3 | 0 | 0 | 112.1 | Y2914 S2947 N2952 I2953 N3282 | Y2914-Q2949 PolarHBondContact OH-OE1 2.95Å; S2947-Q2949 VanDerWaalsContact C-N 3.34Å; S2947-Q2949 PolarHBondContact O-N 3.07Å; Q2949-N2952 PolarHBondContact O-N 3.08Å; Q2949-I2953 HydrophobicContact CG-CD1 4.12Å; Q2949-I2953 WeakPolarHBondContact O-CD1 3.46Å; Q2949-I2953 VanDerWaalsContact O-CG1 3.27Å; Q2949-I2953 WeakPolarHBondContact O-CG1 3.43Å; Q2949-I2953 PolarHBondContact O-N 3.14Å; Q2949-I2953 VanDerWaalsContact O-N 3.1Å; Q2949-N3282 PolarHBondContact NE2-O 2.79Å; Q2949-N3282 PolarHBondContact OE1-O 2.64Å |
| 2950 | M | 93.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -42.9 | -178.7 | -174.4 | 169.3 | -79.9 | 0 | 0 | 111.3 | L2894 L2897 L2901 Y2914 T2917 L2918 L2921 V2943 S2947 I2948 I2953 I2954 | L2894-M2950 HydrophobicContact CD2-CE 4.45Å; L2894-M2950 HydrophobicContact CD2-SD 3.62Å; L2897-M2950 HydrophobicContact CD2-CE 3.95Å; L2901-M2950 HydrophobicContact CD1-SD 4.32Å; Y2914-M2950 HydrophobicContact CD2-CE 3.79Å; Y2914-M2950 HydrophobicContact CE2-CE 3.58Å; T2917-M2950 HydrophobicContact CG2-CE 3.78Å; L2918-M2950 HydrophobicContact CD2-CB 4.27Å; L2918-M2950 HydrophobicContact CD2-CE 3.82Å; L2918-M2950 HydrophobicContact CD2-CG 4.37Å; L2918-M2950 HydrophobicContact CG-CE 4.41Å; L2921-M2950 HydrophobicContact CD1-CE 4.19Å; L2921-M2950 HydrophobicContact CD1-CG 3.69Å; L2921-M2950 HydrophobicContact CD1-SD 4.27Å; V2943-M2950 HydrophobicContact CG1-CB 4.23Å; V2943-M2950 HydrophobicContact CG1-CG 4.18Å; V2943-M2950 HydrophobicContact CG1-SD 4.18Å; V2943-M2950 HydrophobicContact CG2-CG 4.24Å; V2943-M2950 HydrophobicContact CG2-SD 3.93Å; S2947-M2950 PolarHBondContact O-N 3.27Å; S2947-M2950 WeakPolarHBondContact OG-CB 3.46Å; I2948-M2950 VanDerWaalsContact C-N 3.32Å; I2948-M2950 PolarHBondContact O-N 2.83Å; M2950-I2953 PolarHBondContact O-N 3.1Å; M2950-I2954 HydrophobicContact CG-CD1 4.28Å; M2950-I2954 WeakPolarHBondContact O-CG1 3.4Å; M2950-I2954 PolarHBondContact O-N 3.42Å; M2950-I2954 VanDerWaalsContact O-N 3.11Å |
| 2951 | R | 93.1 | Very high | 86.8 | Confident | 42.5 Ų | 42.5 | 46.6 Ų | 46.6 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 173.8 | -73.5 | -177.3 | 171.8 | -130.6 | 1.6 | 111.7 | C2940 V2943 P2944 S2947 I2948 I2953 I2954 L2955 N3239 | C2940-R2951 PolarHBondContact O-NH1 3.47Å; C2940-R2951 PolarHBondContact O-NH2 3.13Å; V2943-R2951 HydrophobicContact CB-CG 4.32Å; V2943-R2951 HydrophobicContact CG1-CG 3.74Å; V2943-R2951 VanDerWaalsContact O-CZ 3.25Å; V2943-R2951 PolarHBondContact O-NE 3.14Å; V2943-R2951 PolarHBondContact O-NH2 3.38Å; P2944-R2951 PolarHBondContact O-NE 3.34Å; S2947-R2951 PolarHBondContact O-N 2.6Å; S2947-R2951 VanDerWaalsContact O-N 3.14Å; I2948-R2951 PolarHBondContact O-N 3.06Å; R2951-I2953 VanDerWaalsContact C-N 3.31Å; R2951-I2953 PolarHBondContact O-N 3.12Å; R2951-I2954 PolarHBondContact O-N 3.22Å; R2951-L2955 WeakPolarHBondContact O-CB 3.38Å; R2951-L2955 VanDerWaalsContact O-CG 3.32Å; R2951-L2955 WeakPolarHBondContact O-CG 3.38Å; R2951-L2955 PolarHBondContact O-N 3.24Å; R2951-N3239 PolarHBondContact NH1-ND2 3.44Å |
| 2952 | N | 92.4 | Very high | 85.2 | Confident | 44.5 Ų | 44.5 | 48.1 Ų | 48.1 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 179.2 | -78.5 | 5.4 | 0 | 0 | 0 | 112.3 | I2948 Q2949 I2954 L2955 S2956 R3278 V3281 | I2948-N2952 WeakPolarHBondContact O-CB 3.37Å; I2948-N2952 PolarHBondContact O-N 3.33Å; I2948-N2952 PolarHBondContact O-OD1 3.12Å; Q2949-N2952 PolarHBondContact O-N 3.08Å; N2952-I2954 VanDerWaalsContact C-N 3.34Å; N2952-I2954 PolarHBondContact O-N 2.94Å; N2952-L2955 PolarHBondContact O-N 3.07Å; N2952-S2956 VanDerWaalsContact O-CB 3.3Å; N2952-S2956 WeakPolarHBondContact O-CB 3.42Å; N2952-S2956 PolarHBondContact O-N 2.98Å; N2952-S2956 PolarHBondContact O-OG 3.17Å; N2952-R3278 PolarHBondContact ND2-O 3.14Å; N2952-V3281 HydrophobicContact CB-CG2 4.49Å; N2952-V3281 WeakPolarHBondContact ND2-CG2 3.22Å |
| 2953 | I | 94.6 | Very high | 83.8 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -49.7 | 175.6 | -73 | 165.1 | 0 | 0 | 0 | 110.3 | L2918 L2921 L2922 I2925 Q2949 M2950 R2951 L2955 S2956 P3284 | L2918-I2953 HydrophobicContact CD2-CD1 3.76Å; L2921-I2953 HydrophobicContact CB-CG2 3.96Å; L2922-I2953 HydrophobicContact CD2-CG2 4.31Å; I2925-I2953 VanDerWaalsContact CD1-C 3.48Å; I2925-I2953 HydrophobicContact CD1-CB 4.32Å; I2925-I2953 HydrophobicContact CD1-CG2 3.7Å; I2925-I2953 WeakPolarHBondContact CD1-O 3.46Å; I2925-I2953 HydrophobicContact CG2-CG2 4.44Å; Q2949-I2953 HydrophobicContact CG-CD1 4.12Å; Q2949-I2953 WeakPolarHBondContact O-CD1 3.46Å; Q2949-I2953 VanDerWaalsContact O-CG1 3.27Å; Q2949-I2953 WeakPolarHBondContact O-CG1 3.43Å; Q2949-I2953 PolarHBondContact O-N 3.14Å; Q2949-I2953 VanDerWaalsContact O-N 3.1Å; M2950-I2953 PolarHBondContact O-N 3.1Å; R2951-I2953 VanDerWaalsContact C-N 3.31Å; R2951-I2953 PolarHBondContact O-N 3.12Å; I2953-L2955 VanDerWaalsContact C-N 3.34Å; I2953-L2955 PolarHBondContact O-N 2.68Å; I2953-S2956 PolarHBondContact O-N 3.4Å; I2953-S2956 VanDerWaalsContact O-N 3.13Å; I2953-P3284 HydrophobicContact CG1-CG 4.28Å |
| 2954 | I | 93.9 | Very high | 82 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 178.3 | -67 | 160.3 | 0 | 0 | 0 | 111.2 | L2921 V2932 F2939 V2943 M2950 R2951 N2952 S2956 A2957 | L2921-I2954 HydrophobicContact CD1-CD1 4.34Å; L2921-I2954 HydrophobicContact CD1-CG1 4.25Å; L2921-I2954 HydrophobicContact CD2-CG1 4.28Å; V2932-I2954 HydrophobicContact CG1-CG2 4.18Å; F2939-I2954 HydrophobicContact CB-CD1 3.87Å; F2939-I2954 HydrophobicContact CB-CG2 4.24Å; F2939-I2954 HydrophobicContact CD2-CG2 4.3Å; V2943-I2954 HydrophobicContact CG2-CD1 4.19Å; M2950-I2954 HydrophobicContact CG-CD1 4.28Å; M2950-I2954 WeakPolarHBondContact O-CG1 3.4Å; M2950-I2954 PolarHBondContact O-N 3.42Å; M2950-I2954 VanDerWaalsContact O-N 3.11Å; R2951-I2954 PolarHBondContact O-N 3.22Å; N2952-I2954 VanDerWaalsContact C-N 3.34Å; N2952-I2954 PolarHBondContact O-N 2.94Å; I2954-S2956 VanDerWaalsContact C-N 3.26Å; I2954-S2956 PolarHBondContact O-N 3.12Å; I2954-A2957 WeakPolarHBondContact O-CB 3.4Å; I2954-A2957 PolarHBondContact O-N 3.12Å |
| 2955 | L | 92.1 | Very high | 80.4 | Confident | 50.5 Ų | 50.5 | 59.1 Ų | 59.1 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.4 | -16.8 | -178 | -67 | 175.4 | 0 | 0 | 0 | 113.8 | Y2936 R2951 N2952 I2953 A2957 N3239 R3242 P3286 | Y2936-L2955 HydrophobicContact CD2-CD2 3.74Å; Y2936-L2955 HydrophobicContact CE2-CD2 4.35Å; Y2936-L2955 HydrophobicContact CG-CD2 4.47Å; R2951-L2955 WeakPolarHBondContact O-CB 3.38Å; R2951-L2955 VanDerWaalsContact O-CG 3.32Å; R2951-L2955 WeakPolarHBondContact O-CG 3.38Å; R2951-L2955 PolarHBondContact O-N 3.24Å; N2952-L2955 PolarHBondContact O-N 3.07Å; I2953-L2955 VanDerWaalsContact C-N 3.34Å; I2953-L2955 PolarHBondContact O-N 2.68Å; L2955-A2957 VanDerWaalsContact C-N 3.32Å; L2955-A2957 PolarHBondContact O-N 3.41Å; L2955-N3239 HydrophobicContact CD1-CB 4.38Å; L2955-N3239 HydrophobicContact CD2-CB 4.35Å; L2955-N3239 WeakPolarHBondContact CD2-O 3.45Å; L2955-R3242 HydrophobicContact CB-CG 4.38Å; L2955-R3242 HydrophobicContact CD2-CG 3.9Å; L2955-P3286 HydrophobicContact CB-CB 4.3Å; L2955-P3286 HydrophobicContact CB-CG 3.54Å |
| 2956 | S | 90.7 | Very high | 79.1 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.2 | 175.6 | -63 | 0 | 0 | 0 | 0 | 113.5 | N2952 I2953 I2954 L2958 | N2952-S2956 VanDerWaalsContact O-CB 3.3Å; N2952-S2956 WeakPolarHBondContact O-CB 3.42Å; N2952-S2956 PolarHBondContact O-N 2.98Å; N2952-S2956 PolarHBondContact O-OG 3.17Å; I2953-S2956 PolarHBondContact O-N 3.4Å; I2953-S2956 VanDerWaalsContact O-N 3.13Å; I2954-S2956 VanDerWaalsContact C-N 3.26Å; I2954-S2956 PolarHBondContact O-N 3.12Å; S2956-L2958 PolarHBondContact O-N 3.06Å |
| 2957 | A | 88.3 | Confident | 78.1 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | trans | -66.5 | 114.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | I2925 V2932 I2954 L2955 | I2925-A2957 HydrophobicContact CG1-CB 4.23Å; I2925-A2957 HydrophobicContact CG2-CB 4.24Å; V2932-A2957 HydrophobicContact CB-CB 3.83Å; V2932-A2957 HydrophobicContact CG1-CB 3.76Å; I2954-A2957 WeakPolarHBondContact O-CB 3.4Å; I2954-A2957 PolarHBondContact O-N 3.12Å; L2955-A2957 VanDerWaalsContact C-N 3.32Å; L2955-A2957 PolarHBondContact O-N 3.41Å | ||
| 2958 | L | 81.8 | Confident | 76.8 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | trans | -105 | 122.2 | 176.8 | -122.4 | 120.6 | 0 | 0 | 0 | 109.8 | P2929 S2956 I2963 Y3243 | P2929-L2958 WeakPolarHBondContact CB-O 3.39Å; S2956-L2958 PolarHBondContact O-N 3.06Å; L2958-I2963 HydrophobicContact CD1-CB 4.33Å; L2958-I2963 HydrophobicContact CD1-CD1 3.68Å; L2958-I2963 HydrophobicContact CD1-CG2 4.17Å; L2958-Y3243 HydrophobicContact CD1-CG 4.21Å | ||
| 2959 | P | 77.1 | Confident | 75.6 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | trans | -59.6 | 144.4 | 174.7 | 1.8 | -0.1 | 0 | 0 | 0 | 111 | E2930 S2933 R2961 I2963 Y3243 | E2930-P2959 HydrophobicContact CG-CB 4.43Å; S2933-P2959 WeakPolarHBondContact OG-CG 3.15Å; P2959-R2961 PolarHBondContact O-N 3.09Å; P2959-I2963 HydrophobicContact CG-CD1 3.92Å; P2959-Y3243 HydrophobicContact CG-CD1 4.28Å; P2959-Y3243 HydrophobicContact CG-CE1 3.8Å; P2959-Y3243 HydrophobicContact CG-CE2 4.1Å | ||
| 2960 | K | 70.8 | Confident | 74.3 | Confident | 144.5 Ų | 144.5 | 65.9 Ų | 65.9 | 63% | 0.628 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -67.7 | -8.6 | -178.3 | -68.4 | 173.6 | 179.2 | 168.9 | 0 | 113.9 | D2927 P2929 E2930 G2962 | D2927-K2960 PolarHBondContact O-NZ 3.45Å; P2929-K2960 HydrophobicContact CG-CD 4.27Å; P2929-K2960 HydrophobicContact CG-CG 3.93Å; E2930-K2960 WeakPolarHBondContact OE1-CB 3.37Å; E2930-K2960 VanDerWaalsContact OE1-CG 3.3Å; E2930-K2960 WeakPolarHBondContact OE1-CG 3.47Å; E2930-K2960 PolarHBondContact OE1-N 3.27Å; K2960-G2962 PolarHBondContact O-N 3.22Å |
| 2961 | R | 59.1 | Low | 72.8 | Confident | 131.5 Ų | 131.5 | 68.1 Ų | 68.1 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -80 | 76.4 | -174.9 | -69.3 | -171 | -170.4 | 157.7 | 6.4 | 113.6 | P2959 I2963 T2984 | P2959-R2961 PolarHBondContact O-N 3.09Å; R2961-I2963 VanDerWaalsContact C-N 3.26Å; R2961-I2963 PolarHBondContact O-N 3.43Å; R2961-I2963 VanDerWaalsContact O-N 3.07Å; R2961-T2984 VanDerWaalsContact NH1-CG2 3.26Å; R2961-T2984 VanDerWaalsContact NH2-CG2 3.34Å; R2961-T2984 PolarHBondContact NH2-OG1 3.26Å |
| 2962 | G | 54.5 | Low | 71.3 | Confident | 70 Ų | 70 | 69 Ų | 69 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 69.7 | 4.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | K2960 P2964 | K2960-G2962 PolarHBondContact O-N 3.22Å; G2962-P2964 WeakPolarHBondContact O-CD 3.45Å; G2962-P2964 VanDerWaalsContact O-N 3.16Å |
| 2963 | I | 56.9 | Low | 70.1 | Confident | 62.5 Ų | 62.5 | 71 Ų | 71 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | trans | -79.1 | 116.4 | 176.7 | -57.1 | 165.9 | 0 | 0 | 0 | 107.6 | L2958 P2959 R2961 S2965 Y3243 P3244 | L2958-I2963 HydrophobicContact CD1-CB 4.33Å; L2958-I2963 HydrophobicContact CD1-CD1 3.68Å; L2958-I2963 HydrophobicContact CD1-CG2 4.17Å; P2959-I2963 HydrophobicContact CG-CD1 3.92Å; R2961-I2963 VanDerWaalsContact C-N 3.26Å; R2961-I2963 PolarHBondContact O-N 3.43Å; R2961-I2963 VanDerWaalsContact O-N 3.07Å; I2963-S2965 PolarHBondContact O-N 3.32Å; I2963-Y3243 HydrophobicContact CD1-CD2 3.35Å; I2963-Y3243 HydrophobicContact CD1-CE2 3.84Å; I2963-Y3243 HydrophobicContact CD1-CG 4.08Å; I2963-P3244 HydrophobicContact CG2-CB 4.17Å; I2963-P3244 HydrophobicContact CG2-CG 3.78Å | ||
| 2964 | P | 52.2 | Low | 68.6 | Low | 104 Ų | 104 | 73.1 Ų | 73.1 | 68% | 0.675 | 43% | 0.432 | S | S | * | . | trans | -56.7 | 136.8 | 171.4 | -18.3 | 30.6 | 0 | 0 | 0 | 108.1 | G2962 A2966 | G2962-P2964 WeakPolarHBondContact O-CD 3.45Å; G2962-P2964 VanDerWaalsContact O-N 3.16Å; P2964-A2966 PolarHBondContact O-N 2.95Å | ||
| 2965 | S | 53.6 | Low | 67.1 | Low | 109.5 Ų | 109.5 | 79.3 Ų | 79.3 | 77% | 0.766 | 47% | 0.465 | S | S | * | . | trans | -60.6 | 76.1 | 166.5 | 172.6 | 0 | 0 | 0 | 0 | 108.6 | I2963 D2967 | I2963-S2965 PolarHBondContact O-N 3.32Å; S2965-D2967 VanDerWaalsContact C-N 3.29Å; S2965-D2967 PolarHBondContact O-N 2.91Å | ||
| 2966 | A | 57.1 | Low | 66 | Low | 48 Ų | 48 | 82.8 Ų | 82.8 | 40% | 0.397 | 48% | 0.48 | S | S | . | . | trans | -67.5 | 116.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | P2964 P2968 W3287 | P2964-A2966 PolarHBondContact O-N 2.95Å; A2966-P2968 WeakPolarHBondContact O-CD 3.3Å; A2966-P2968 VanDerWaalsContact O-N 3.12Å; A2966-W3287 PolarHBondContact O-NE1 3.2Å | ||
| 2967 | D | 63.7 | Low | 65 | Low | 64.5 Ų | 64.5 | 81.6 Ų | 81.6 | 35% | 0.345 | 47% | 0.469 | S | S | . | . | trans | -50.1 | 123.6 | 165.8 | 177.4 | -3.1 | 0 | 0 | 0 | 107.1 | S2965 L2969 Q2970 A2971 | S2965-D2967 VanDerWaalsContact C-N 3.29Å; S2965-D2967 PolarHBondContact O-N 2.91Å; D2967-L2969 PolarHBondContact O-N 3.41Å; D2967-L2969 WeakPolarHBondContact OD1-CB 3.37Å; D2967-L2969 PolarHBondContact OD1-N 3.14Å; D2967-Q2970 HydrophobicContact CB-CB 4.2Å; D2967-Q2970 HydrophobicContact CB-CG 4.23Å; D2967-Q2970 CarbonylContact O-C 3.49Å; D2967-Q2970 VanDerWaalsContact O-CA 3.25Å; D2967-Q2970 WeakPolarHBondContact O-CA 3.4Å; D2967-Q2970 PolarHBondContact O-N 3.04Å; D2967-A2971 PolarHBondContact O-N 3.4Å | ||
| 2968 | P | 64.5 | Low | 64.1 | Low | 70 Ų | 70 | 84.2 Ų | 84.2 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -55.1 | -23.6 | 178.6 | 7.8 | -15.8 | 0 | 0 | 0 | 113 | A2966 Q2970 W3287 L3290 M3291 | A2966-P2968 WeakPolarHBondContact O-CD 3.3Å; A2966-P2968 VanDerWaalsContact O-N 3.12Å; P2968-Q2970 VanDerWaalsContact C-N 3.32Å; P2968-W3287 HydrophobicContact CB-CD2 4.19Å; P2968-W3287 HydrophobicContact CB-CG 3.99Å; P2968-W3287 VanDerWaalsContact CG-CD1 3.42Å; P2968-W3287 HydrophobicContact CG-CG 4.06Å; P2968-L3290 HydrophobicContact CB-CB 3.96Å; P2968-L3290 HydrophobicContact CG-CB 4.29Å; P2968-L3290 HydrophobicContact CG-CD1 4.09Å; P2968-M3291 HydrophobicContact CB-CB 4.43Å |
| 2969 | L | 64.5 | Low | 63.7 | Low | 96.5 Ų | 96.5 | 84.2 Ų | 84.2 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -78.9 | -14.9 | 175.3 | -56.6 | 176.8 | 0 | 0 | 0 | 113.8 | D2967 A3294 C3327 I3328 P3329 | D2967-L2969 PolarHBondContact O-N 3.41Å; D2967-L2969 WeakPolarHBondContact OD1-CB 3.37Å; D2967-L2969 PolarHBondContact OD1-N 3.14Å; L2969-A3294 HydrophobicContact CD2-CB 3.49Å; L2969-A3294 VanDerWaalsContact CD2-CB 3.49Å; L2969-C3327 VanDerWaalsContact CD1-O 3.27Å; L2969-C3327 WeakPolarHBondContact CD1-O 3.4Å; L2969-C3327 WeakPolarHBondContact CD2-O 3.36Å; L2969-I3328 HydrophobicContact CD2-CG1 4.05Å; L2969-P3329 HydrophobicContact CD1-CG 4.12Å |
| 2970 | Q | 65.8 | Low | 63.8 | Low | 150 Ų | 150 | 84.9 Ų | 84.9 | 70% | 0.701 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -116.4 | 32.9 | 175.1 | -57.5 | -175.7 | 3.6 | 0 | 0 | 110.9 | D2967 P2968 P2972 | D2967-Q2970 HydrophobicContact CB-CB 4.2Å; D2967-Q2970 HydrophobicContact CB-CG 4.23Å; D2967-Q2970 CarbonylContact O-C 3.49Å; D2967-Q2970 VanDerWaalsContact O-CA 3.25Å; D2967-Q2970 WeakPolarHBondContact O-CA 3.4Å; D2967-Q2970 PolarHBondContact O-N 3.04Å; P2968-Q2970 VanDerWaalsContact C-N 3.32Å; Q2970-P2972 WeakPolarHBondContact O-CD 3.47Å |
| 2971 | A | 61.7 | Low | 64.1 | Low | 46.5 Ų | 46.5 | 84.2 Ų | 84.2 | 38% | 0.384 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 129.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | D2967 W3287 M3291 | D2967-A2971 PolarHBondContact O-N 3.4Å; A2971-W3287 HydrophobicContact CB-CH2 3.58Å; A2971-W3287 HydrophobicContact CB-CZ2 3.57Å; A2971-M3291 HydrophobicContact CB-CG 3.79Å |
| 2972 | P | 62.3 | Low | 65.1 | Low | 60.5 Ų | 60.5 | 80.1 Ų | 80.1 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.6 | 177.6 | 3.4 | -1.9 | 0 | 0 | 0 | 110 | Q2970 V2974 Q2976 | Q2970-P2972 WeakPolarHBondContact O-CD 3.47Å; P2972-V2974 PolarHBondContact O-N 3.25Å; P2972-Q2976 HydrophobicContact CB-CB 3.65Å |
| 2973 | P | 66 | Low | 66.4 | Low | 88.5 Ų | 88.5 | 78.2 Ų | 78.2 | 58% | 0.575 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 140.9 | 166.3 | -0.2 | 0.3 | 0 | 0 | 0 | 110 | D2975 Q2976 L2977 | P2973-D2975 PolarHBondContact O-N 3.23Å; P2973-Q2976 HydrophobicContact CG-CG 4.45Å; P2973-Q2976 WeakPolarHBondContact O-CA 2.83Å; P2973-Q2976 WeakPolarHBondContact O-CB 3.37Å; P2973-Q2976 PolarHBondContact O-N 3.38Å; P2973-L2977 PolarHBondContact O-N 2.88Å |
| 2974 | V | 63.7 | Low | 67.4 | Low | 57.5 Ų | 57.5 | 77.4 Ų | 77.4 | 35% | 0.348 | 46% | 0.46 | S | S | . | . | trans | -74.6 | 28.9 | -176.6 | -179 | 0 | 0 | 0 | 0 | 110.9 | P2972 Q2976 L2977 L2980 Y3249 | P2972-V2974 PolarHBondContact O-N 3.25Å; V2974-Q2976 VanDerWaalsContact C-N 3.26Å; V2974-Q2976 PolarHBondContact O-N 2.82Å; V2974-L2977 HydrophobicContact CB-CD1 4.38Å; V2974-L2977 HydrophobicContact CG1-CD1 4.23Å; V2974-L2977 VanDerWaalsContact O-CB 3.25Å; V2974-L2977 WeakPolarHBondContact O-CB 3.2Å; V2974-L2977 WeakPolarHBondContact O-CG 3.49Å; V2974-L2977 PolarHBondContact O-N 3.49Å; V2974-L2980 HydrophobicContact CB-CD1 4.24Å; V2974-L2980 HydrophobicContact CG1-CD1 3.63Å; V2974-L2980 HydrophobicContact CG1-CD2 3.86Å; V2974-L2980 HydrophobicContact CG1-CG 3.61Å; V2974-L2980 HydrophobicContact CG2-CD2 4.21Å; V2974-Y3249 HydrophobicContact CB-CE1 4.46Å; V2974-Y3249 HydrophobicContact CG2-CD1 3.92Å; V2974-Y3249 HydrophobicContact CG2-CD2 4.32Å; V2974-Y3249 HydrophobicContact CG2-CE1 3.44Å; V2974-Y3249 VanDerWaalsContact CG2-CE1 3.44Å; V2974-Y3249 HydrophobicContact CG2-CE2 3.9Å; V2974-Y3249 HydrophobicContact CG2-CG 4.34Å; V2974-Y3249 VanDerWaalsContact CG2-CZ 3.42Å | ||
| 2975 | D | 63.5 | Low | 68.9 | Low | 132 Ų | 132 | 73.8 Ų | 73.8 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.4 | -31.4 | 177.8 | -59 | -30.3 | 0 | 0 | 0 | 112.6 | P2973 L2977 P3203 | P2973-D2975 PolarHBondContact O-N 3.23Å; D2975-L2977 VanDerWaalsContact C-N 3.34Å; D2975-P3203 WeakPolarHBondContact O-CB 3.44Å |
| 2976 | Q | 68.9 | Low | 70.4 | Confident | 124.5 Ų | 124.5 | 69.5 Ų | 69.5 | 58% | 0.582 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -91 | 38.8 | -179 | -66.7 | -178.2 | 8.3 | 0 | 0 | 112.1 | P2972 P2973 V2974 A2978 S2979 | P2972-Q2976 HydrophobicContact CB-CB 3.65Å; P2973-Q2976 HydrophobicContact CG-CG 4.45Å; P2973-Q2976 WeakPolarHBondContact O-CA 2.83Å; P2973-Q2976 WeakPolarHBondContact O-CB 3.37Å; P2973-Q2976 PolarHBondContact O-N 3.38Å; V2974-Q2976 VanDerWaalsContact C-N 3.26Å; V2974-Q2976 PolarHBondContact O-N 2.82Å; Q2976-A2978 PolarHBondContact O-N 3.17Å; Q2976-A2978 VanDerWaalsContact O-N 3.12Å; Q2976-S2979 WeakPolarHBondContact O-CB 3.15Å; Q2976-S2979 PolarHBondContact O-N 3.2Å; Q2976-S2979 PolarHBondContact O-OG 2.98Å |
| 2977 | L | 69.5 | Low | 71.8 | Confident | 28.5 Ų | 28.5 | 67.3 Ų | 67.3 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -59.5 | -28.7 | 176.1 | -121.2 | 114.7 | 0 | 0 | 0 | 112.7 | P2973 V2974 D2975 S2979 L2980 I3194 L3197 R3198 L3204 | P2973-L2977 PolarHBondContact O-N 2.88Å; V2974-L2977 HydrophobicContact CB-CD1 4.38Å; V2974-L2977 HydrophobicContact CG1-CD1 4.23Å; V2974-L2977 VanDerWaalsContact O-CB 3.25Å; V2974-L2977 WeakPolarHBondContact O-CB 3.2Å; V2974-L2977 WeakPolarHBondContact O-CG 3.49Å; V2974-L2977 PolarHBondContact O-N 3.49Å; D2975-L2977 VanDerWaalsContact C-N 3.34Å; L2977-S2979 PolarHBondContact O-N 3.01Å; L2977-L2980 HydrophobicContact CB-CD1 4.31Å; L2977-L2980 HydrophobicContact CD1-CB 4.44Å; L2977-L2980 HydrophobicContact CD1-CD1 3.99Å; L2977-L2980 HydrophobicContact CD2-CD1 3.54Å; L2977-L2980 VanDerWaalsContact O-CB 3.31Å; L2977-L2980 WeakPolarHBondContact O-CB 3.32Å; L2977-L2980 PolarHBondContact O-N 3.36Å; L2977-L2980 VanDerWaalsContact O-N 3.1Å; L2977-I3194 HydrophobicContact CD1-CG2 4.38Å; L2977-L3197 HydrophobicContact CD2-CB 3.49Å; L2977-L3197 VanDerWaalsContact CD2-CB 3.49Å; L2977-L3197 HydrophobicContact CD2-CD1 4.39Å; L2977-R3198 HydrophobicContact CD2-CG 3.81Å; L2977-R3198 HydrophobicContact CG-CG 3.85Å; L2977-L3204 HydrophobicContact CB-CB 4.05Å; L2977-L3204 HydrophobicContact CD1-CB 3.84Å; L2977-L3204 HydrophobicContact CD1-CD2 3.89Å; L2977-L3204 HydrophobicContact CD1-CG 4.34Å; L2977-L3204 HydrophobicContact CD2-CB 4.26Å; L2977-L3204 HydrophobicContact CG-CB 4.26Å |
| 2978 | A | 69.6 | Low | 72.9 | Confident | 61.5 Ų | 61.5 | 67.1 Ų | 67.1 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q2976 | Q2976-A2978 PolarHBondContact O-N 3.17Å; Q2976-A2978 VanDerWaalsContact O-N 3.12Å |
| 2979 | S | 73.8 | Confident | 73.8 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -85.7 | -10.9 | 177.3 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | Q2976 L2977 E2981 | Q2976-S2979 WeakPolarHBondContact O-CB 3.15Å; Q2976-S2979 PolarHBondContact O-N 3.2Å; Q2976-S2979 PolarHBondContact O-OG 2.98Å; L2977-S2979 PolarHBondContact O-N 3.01Å; S2979-E2981 PolarHBondContact O-N 3.17Å |
| 2980 | L | 77.6 | Confident | 74.9 | Confident | 40.5 Ų | 40.5 | 61.7 Ų | 61.7 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 126.1 | 176.7 | -70.4 | 174.5 | 0 | 0 | 0 | 110.3 | V2974 L2977 R3198 L3204 Y3249 | V2974-L2980 HydrophobicContact CB-CD1 4.24Å; V2974-L2980 HydrophobicContact CG1-CD1 3.63Å; V2974-L2980 HydrophobicContact CG1-CD2 3.86Å; V2974-L2980 HydrophobicContact CG1-CG 3.61Å; V2974-L2980 HydrophobicContact CG2-CD2 4.21Å; L2977-L2980 HydrophobicContact CB-CD1 4.31Å; L2977-L2980 HydrophobicContact CD1-CB 4.44Å; L2977-L2980 HydrophobicContact CD1-CD1 3.99Å; L2977-L2980 HydrophobicContact CD2-CD1 3.54Å; L2977-L2980 VanDerWaalsContact O-CB 3.31Å; L2977-L2980 WeakPolarHBondContact O-CB 3.32Å; L2977-L2980 PolarHBondContact O-N 3.36Å; L2977-L2980 VanDerWaalsContact O-N 3.1Å; L2980-R3198 PolarHBondContact O-NH2 2.91Å; L2980-L3204 HydrophobicContact CD1-CD2 3.91Å; L2980-Y3249 HydrophobicContact CD1-CD2 3.81Å; L2980-Y3249 HydrophobicContact CD1-CG 4.17Å; L2980-Y3249 HydrophobicContact CD2-CD2 3.54Å; L2980-Y3249 HydrophobicContact CD2-CE2 3.53Å; L2980-Y3249 HydrophobicContact CG-CD2 4.35Å |
| 2981 | E | 78.2 | Confident | 75.8 | Confident | 130.5 Ų | 130.5 | 54.9 Ų | 54.9 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 145.5 | 171.5 | -115.3 | -178 | 172.5 | 0 | 0 | 111 | S2979 N3245 S3246 | S2979-E2981 PolarHBondContact O-N 3.17Å; E2981-N3245 WeakPolarHBondContact O-CA 3.29Å; E2981-S3246 PolarHBondContact O-N 3.2Å |
| 2982 | D | 80.4 | Confident | 76.8 | Confident | 45.5 Ų | 45.5 | 56.3 Ų | 56.3 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 143.9 | 170.9 | -70.2 | -6.4 | 0 | 0 | 0 | 110 | M2988 R3198 S3246 | D2982-M2988 HydrophobicContact CB-CE 4.36Å; D2982-M2988 HydrophobicContact CB-SD 4.23Å; D2982-R3198 VanDerWaalsContact CG-NH1 3.34Å; D2982-R3198 VanDerWaalsContact CG-NH2 3.33Å; D2982-R3198 IonicContact OD1-CZ 2.65Å; D2982-R3198 IonicContact OD1-NH1 2.8Å; D2982-R3198 PolarHBondContact OD1-NH1 3.15Å; D2982-R3198 IonicContact OD1-NH2 3.45Å; D2982-R3198 PolarHBondContact OD1-NH2 3.47Å; D2982-R3198 IonicContact OD2-CZ 3.78Å; D2982-R3198 IonicContact OD2-NH1 3.73Å; D2982-R3198 PolarHBondContact OD2-NH1 3.12Å; D2982-R3198 IonicContact OD2-NH2 3.65Å; D2982-S3246 WeakPolarHBondContact CA-OG 2.85Å; D2982-S3246 VanDerWaalsContact OD1-CB 3.3Å; D2982-S3246 WeakPolarHBondContact OD1-CB 3.39Å; D2982-S3246 PolarHBondContact OD1-OG 3.32Å |
| 2983 | P | 80.6 | Confident | 77.8 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 20% | 0.195 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 163.1 | 169.8 | 27.3 | -31.3 | 0 | 0 | 0 | 110.4 | C2987 M2988 H3247 | P2983-C2987 HydrophobicContact CB-CB 3.97Å; P2983-C2987 HydrophobicContact CG-CB 4.16Å; P2983-M2988 HydrophobicContact CB-SD 4.46Å; P2983-M2988 HydrophobicContact CG-CG 4.41Å; P2983-M2988 HydrophobicContact CG-SD 3.81Å; P2983-M2988 VanDerWaalsContact CG-SD 3.59Å; P2983-M2988 WeakPolarHBondContact O-CG 3.4Å; P2983-M2988 VanDerWaalsContact O-SD 3.39Å; P2983-H3247 HydrophobicContact CG-CB 4.1Å; P2983-H3247 VanDerWaalsContact CG-CG 3.49Å |
| 2984 | T | 79.2 | Confident | 78.7 | Confident | 46.5 Ų | 46.5 | 51.3 Ų | 51.3 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | trans | -113.4 | 169.7 | 178 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | D2934 R2961 Y2986 | D2934-T2984 PolarHBondContact OD1-OG1 3.48Å; R2961-T2984 VanDerWaalsContact NH1-CG2 3.26Å; R2961-T2984 VanDerWaalsContact NH2-CG2 3.34Å; R2961-T2984 PolarHBondContact NH2-OG1 3.26Å; T2984-Y2986 PolarHBondContact O-N 3.4Å | ||
| 2985 | G | 82.2 | Confident | 79.2 | Confident | 28.5 Ų | 28.5 | 49.7 Ų | 49.7 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 71.7 | -140 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C2987 M2988 | G2985-C2987 VanDerWaalsContact C-N 3.31Å; G2985-C2987 PolarHBondContact O-N 3.15Å; G2985-C2987 VanDerWaalsContact O-N 3.13Å; G2985-M2988 WeakPolarHBondContact O-CB 3.42Å; G2985-M2988 PolarHBondContact O-N 3.29Å; G2985-M2988 VanDerWaalsContact O-N 3.12Å |
| 2986 | Y | 85.3 | Confident | 79.8 | Confident | 17.5 Ų | 17.5 | 48.4 Ų | 48.4 | 7% | 0.069 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -57.1 | -36.3 | -168.2 | -175.5 | -97.2 | 0 | 0 | 0 | 113 | L2554 I2818 D2934 Y2935 A2937 L2938 T2984 M2988 E2989 R2993 | L2554-Y2986 HydrophobicContact CD2-CD2 4.1Å; L2554-Y2986 HydrophobicContact CD2-CE2 3.68Å; I2818-Y2986 HydrophobicContact CD1-CD2 4.47Å; D2934-Y2986 WeakPolarHBondContact O-CB 3.17Å; D2934-Y2986 PolarHBondContact O-N 2.92Å; Y2935-Y2986 HydrophobicContact CD1-CD1 4.33Å; Y2935-Y2986 AromaticContact CD1-CD2 3.96Å; Y2935-Y2986 HydrophobicContact CD1-CD2 4.17Å; Y2935-Y2986 AromaticContact CD1-CG 3.74Å; Y2935-Y2986 HydrophobicContact CD1-CG 3.74Å; Y2935-Y2986 AromaticContact CE1-CD2 3.77Å; Y2935-Y2986 HydrophobicContact CE1-CD2 4.13Å; Y2935-Y2986 AromaticContact CE1-CG 3.86Å; Y2935-Y2986 HydrophobicContact CE1-CG 3.86Å; A2937-Y2986 HydrophobicContact CB-CD1 4.08Å; L2938-Y2986 HydrophobicContact CB-CD1 3.98Å; L2938-Y2986 HydrophobicContact CB-CE1 3.86Å; L2938-Y2986 HydrophobicContact CB-CG 4.38Å; T2984-Y2986 PolarHBondContact O-N 3.4Å; Y2986-M2988 VanDerWaalsContact C-N 3.3Å; Y2986-M2988 PolarHBondContact O-N 3.1Å; Y2986-E2989 PolarHBondContact O-N 3.04Å; Y2986-R2993 VanDerWaalsContact CE2-NH1 3.29Å; Y2986-R2993 VanDerWaalsContact CZ-CZ 3.47Å; Y2986-R2993 VanDerWaalsContact CZ-NH1 3.32Å; Y2986-R2993 VanDerWaalsContact O-CZ 3.23Å; Y2986-R2993 PolarHBondContact O-NH1 3.2Å; Y2986-R2993 PolarHBondContact O-NH2 2.95Å; Y2986-R2993 VanDerWaalsContact OH-CD 3.29Å; Y2986-R2993 WeakPolarHBondContact OH-CD 3.34Å |
| 2987 | C | 86.2 | Confident | 80.1 | Confident | 2.5 Ų | 2.5 | 44.1 Ų | 44.1 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -62.3 | -34 | -180 | -0.9 | 0 | 0 | 0 | 0 | 113.6 | Y2936 A2937 P2983 G2985 E2989 A2990 L3187 I3191 | Y2936-C2987 HydrophobicContact CE1-CB 3.67Å; Y2936-C2987 VanDerWaalsContact CE1-SG 3.56Å; Y2936-C2987 WeakPolarHBondContact OH-CB 3.19Å; A2937-C2987 HydrophobicContact CB-CB 4.38Å; P2983-C2987 HydrophobicContact CB-CB 3.97Å; P2983-C2987 HydrophobicContact CG-CB 4.16Å; G2985-C2987 VanDerWaalsContact C-N 3.31Å; G2985-C2987 PolarHBondContact O-N 3.15Å; G2985-C2987 VanDerWaalsContact O-N 3.13Å; C2987-E2989 VanDerWaalsContact C-N 3.26Å; C2987-E2989 PolarHBondContact O-N 3.03Å; C2987-A2990 VanDerWaalsContact O-CB 3.26Å; C2987-A2990 WeakPolarHBondContact O-CB 3.38Å; C2987-A2990 PolarHBondContact O-N 2.99Å; C2987-L3187 HydrophobicContact CB-CD1 4.07Å; C2987-L3187 HydrophobicContact CB-CD2 4.05Å; C2987-I3191 WeakPolarHBondContact O-CD1 3.31Å |
| 2988 | M | 87.1 | Confident | 80.7 | Confident | 60.5 Ų | 60.5 | 43.1 Ų | 43.1 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -71.3 | -21.1 | -178.9 | -67 | -55 | -66.6 | 0 | 0 | 113.4 | D2982 P2983 G2985 Y2986 A2990 I3191 | D2982-M2988 HydrophobicContact CB-CE 4.36Å; D2982-M2988 HydrophobicContact CB-SD 4.23Å; P2983-M2988 HydrophobicContact CB-SD 4.46Å; P2983-M2988 HydrophobicContact CG-CG 4.41Å; P2983-M2988 HydrophobicContact CG-SD 3.81Å; P2983-M2988 VanDerWaalsContact CG-SD 3.59Å; P2983-M2988 WeakPolarHBondContact O-CG 3.4Å; P2983-M2988 VanDerWaalsContact O-SD 3.39Å; G2985-M2988 WeakPolarHBondContact O-CB 3.42Å; G2985-M2988 PolarHBondContact O-N 3.29Å; G2985-M2988 VanDerWaalsContact O-N 3.12Å; Y2986-M2988 VanDerWaalsContact C-N 3.3Å; Y2986-M2988 PolarHBondContact O-N 3.1Å; M2988-A2990 VanDerWaalsContact C-N 3.33Å; M2988-A2990 PolarHBondContact O-N 3.4Å; M2988-I3191 HydrophobicContact CE-CG1 4.33Å; M2988-I3191 HydrophobicContact CE-CG2 4.37Å; M2988-I3191 HydrophobicContact SD-CD1 4.34Å; M2988-I3191 HydrophobicContact SD-CG1 4.21Å |
| 2989 | E | 83.9 | Confident | 81.5 | Confident | 52.5 Ų | 52.5 | 42.8 Ų | 42.8 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -88.9 | 10.8 | 177.9 | -63.6 | -175.7 | 169.6 | 0 | 0 | 112.9 | I2818 S2819 Y2986 C2987 G2991 S2992 R2993 | I2818-E2989 WeakPolarHBondContact CA-OE1 3.21Å; I2818-E2989 PolarHBondContact N-OE1 2.92Å; S2819-E2989 PolarHBondContact N-OE1 2.85Å; S2819-E2989 PolarHBondContact OG-OE1 2.94Å; Y2986-E2989 PolarHBondContact O-N 3.04Å; C2987-E2989 VanDerWaalsContact C-N 3.26Å; C2987-E2989 PolarHBondContact O-N 3.03Å; E2989-G2991 VanDerWaalsContact C-N 3.26Å; E2989-G2991 PolarHBondContact O-N 3.1Å; E2989-S2992 WeakPolarHBondContact CA-OG 3.28Å; E2989-S2992 WeakPolarHBondContact CB-OG 3.36Å; E2989-S2992 PolarHBondContact O-N 3.08Å; E2989-S2992 VanDerWaalsContact O-N 3.13Å; E2989-S2992 PolarHBondContact O-OG 3.42Å; E2989-R2993 PolarHBondContact O-N 2.86Å |
| 2990 | A | 86.6 | Confident | 82 | Confident | 0.5 Ų | 0.5 | 41.6 Ų | 41.6 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.2 | -38.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | C2987 M2988 S2992 R2993 L2994 N3184 L3187 I3191 | C2987-A2990 VanDerWaalsContact O-CB 3.26Å; C2987-A2990 WeakPolarHBondContact O-CB 3.38Å; C2987-A2990 PolarHBondContact O-N 2.99Å; M2988-A2990 VanDerWaalsContact C-N 3.33Å; M2988-A2990 PolarHBondContact O-N 3.4Å; A2990-S2992 VanDerWaalsContact C-N 3.33Å; A2990-S2992 PolarHBondContact O-N 3.08Å; A2990-R2993 VanDerWaalsContact CA-NH2 3.3Å; A2990-R2993 PolarHBondContact O-N 3.06Å; A2990-R2993 VanDerWaalsContact O-N 3.13Å; A2990-L2994 PolarHBondContact O-N 3.31Å; A2990-N3184 HydrophobicContact CB-CB 4.43Å; A2990-L3187 HydrophobicContact CB-CB 3.49Å; A2990-L3187 VanDerWaalsContact CB-CB 3.49Å; A2990-L3187 HydrophobicContact CB-CD1 4.13Å; A2990-L3187 HydrophobicContact CB-CG 4.47Å; A2990-I3191 HydrophobicContact CB-CD1 4.34Å |
| 2991 | G | 85.1 | Confident | 82.5 | Confident | 7.5 Ų | 7.5 | 42.9 Ų | 42.9 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -35.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E2989 R2993 L2994 R2999 | E2989-G2991 VanDerWaalsContact C-N 3.26Å; E2989-G2991 PolarHBondContact O-N 3.1Å; G2991-R2993 VanDerWaalsContact C-N 3.28Å; G2991-R2993 PolarHBondContact O-N 3.17Å; G2991-L2994 WeakPolarHBondContact O-CB 3.23Å; G2991-L2994 PolarHBondContact O-N 2.94Å; G2991-R2999 WeakPolarHBondContact O-CD 3.24Å; G2991-R2999 PolarHBondContact O-NH1 3.08Å; G2991-R2999 VanDerWaalsContact O-NH1 3.09Å |
| 2992 | S | 82.9 | Confident | 83.2 | Confident | 75.5 Ų | 75.5 | 36.7 Ų | 36.7 | 53% | 0.528 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -73.3 | -17.2 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | E2989 A2990 | E2989-S2992 WeakPolarHBondContact CA-OG 3.28Å; E2989-S2992 WeakPolarHBondContact CB-OG 3.36Å; E2989-S2992 PolarHBondContact O-N 3.08Å; E2989-S2992 VanDerWaalsContact O-N 3.13Å; E2989-S2992 PolarHBondContact O-OG 3.42Å; A2990-S2992 VanDerWaalsContact C-N 3.33Å; A2990-S2992 PolarHBondContact O-N 3.08Å |
| 2993 | R | 84.4 | Confident | 83.9 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 14% | 0.143 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -90.4 | -13 | 176.7 | -65.8 | -173.7 | -66.1 | -100.9 | 2.6 | 113.5 | Y2986 E2989 A2990 G2991 N3184 | Y2986-R2993 VanDerWaalsContact CE2-NH1 3.29Å; Y2986-R2993 VanDerWaalsContact CZ-CZ 3.47Å; Y2986-R2993 VanDerWaalsContact CZ-NH1 3.32Å; Y2986-R2993 VanDerWaalsContact O-CZ 3.23Å; Y2986-R2993 PolarHBondContact O-NH1 3.2Å; Y2986-R2993 PolarHBondContact O-NH2 2.95Å; Y2986-R2993 VanDerWaalsContact OH-CD 3.29Å; Y2986-R2993 WeakPolarHBondContact OH-CD 3.34Å; E2989-R2993 PolarHBondContact O-N 2.86Å; A2990-R2993 VanDerWaalsContact CA-NH2 3.3Å; A2990-R2993 PolarHBondContact O-N 3.06Å; A2990-R2993 VanDerWaalsContact O-N 3.13Å; G2991-R2993 VanDerWaalsContact C-N 3.28Å; G2991-R2993 PolarHBondContact O-N 3.17Å; R2993-N3184 PolarHBondContact NE-OD1 3.21Å; R2993-N3184 PolarHBondContact NH2-OD1 2.96Å |
| 2994 | L | 83.6 | Confident | 84.5 | Confident | 6.5 Ų | 6.5 | 37.7 Ų | 37.7 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -70.7 | 143.8 | 169.8 | -67.7 | 178.1 | 0 | 0 | 0 | 110.4 | A2990 G2991 E2996 M2998 R2999 L3002 L3181 N3184 L3185 Y3188 | A2990-L2994 PolarHBondContact O-N 3.31Å; G2991-L2994 WeakPolarHBondContact O-CB 3.23Å; G2991-L2994 PolarHBondContact O-N 2.94Å; L2994-E2996 PolarHBondContact O-N 2.96Å; L2994-M2998 HydrophobicContact CD2-SD 4.28Å; L2994-R2999 HydrophobicContact CB-CB 4.29Å; L2994-L3002 HydrophobicContact CD1-CD1 3.97Å; L2994-L3181 HydrophobicContact CD2-CD1 3.84Å; L2994-N3184 HydrophobicContact CD2-CB 3.95Å; L2994-N3184 HydrophobicContact CG-CB 4.41Å; L2994-L3185 HydrophobicContact CD2-CB 4.34Å; L2994-Y3188 HydrophobicContact CD1-CD1 3.64Å; L2994-Y3188 HydrophobicContact CD1-CD2 4.45Å; L2994-Y3188 HydrophobicContact CD1-CE1 4.42Å; L2994-Y3188 HydrophobicContact CD1-CG 3.65Å |
| 2995 | P | 75.9 | Confident | 85.3 | Confident | 23 Ų | 23 | 35.9 Ų | 35.9 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | trans | -53.6 | 130.5 | 169.3 | -23.8 | 33.2 | 0 | 0 | 0 | 110.3 | P2997 M2998 R2999 L3181 | P2995-P2997 VanDerWaalsContact C-CD 3.47Å; P2995-P2997 HydrophobicContact CB-CG 4.45Å; P2995-M2998 HydrophobicContact CB-CB 4.17Å; P2995-M2998 HydrophobicContact CG-CB 4.44Å; P2995-M2998 WeakPolarHBondContact O-CB 3.33Å; P2995-M2998 PolarHBondContact O-N 3.16Å; P2995-M2998 VanDerWaalsContact O-N 3.08Å; P2995-R2999 PolarHBondContact O-N 3Å; P2995-L3181 HydrophobicContact CG-CD1 4.14Å | ||
| 2996 | E | 75.8 | Confident | 85.8 | Confident | 105.5 Ų | 105.5 | 35.4 Ų | 35.4 | 49% | 0.493 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -50.2 | -45.9 | -178.5 | -173.7 | 157.7 | -144.8 | 0 | 0 | 114.7 | L2994 M2998 R2999 C3000 A3151 | L2994-E2996 PolarHBondContact O-N 2.96Å; E2996-M2998 PolarHBondContact O-N 2.93Å; E2996-R2999 PolarHBondContact O-N 3.05Å; E2996-R2999 IonicContact OE1-NH2 2.64Å; E2996-R2999 PolarHBondContact OE1-NH2 3.48Å; E2996-C3000 PolarHBondContact O-N 3.24Å; E2996-C3000 PolarHBondContact O-SG 3.15Å; E2996-A3151 HydrophobicContact CB-CB 4.31Å |
| 2997 | P | 74.2 | Confident | 86.2 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 176.6 | 22.6 | -33.6 | 0 | 0 | 0 | 112.5 | P2995 R2999 C3000 E3001 A3151 | P2995-P2997 VanDerWaalsContact C-CD 3.47Å; P2995-P2997 HydrophobicContact CB-CG 4.45Å; P2997-R2999 VanDerWaalsContact C-N 3.34Å; P2997-R2999 PolarHBondContact O-N 3.04Å; P2997-C3000 PolarHBondContact O-N 2.92Å; P2997-E3001 WeakPolarHBondContact O-CG 3.3Å; P2997-E3001 PolarHBondContact O-N 2.84Å; P2997-A3151 HydrophobicContact CG-CB 4.48Å |
| 2998 | M | 82.1 | Confident | 86.5 | Confident | 6.5 Ų | 6.5 | 44.4 Ų | 44.4 | 3% | 0.032 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.7 | -179.5 | -173.6 | -121.7 | 0 | 0 | 111.3 | L2994 P2995 E2996 L3002 L3018 M3021 L3181 L3185 | L2994-M2998 HydrophobicContact CD2-SD 4.28Å; P2995-M2998 HydrophobicContact CB-CB 4.17Å; P2995-M2998 HydrophobicContact CG-CB 4.44Å; P2995-M2998 WeakPolarHBondContact O-CB 3.33Å; P2995-M2998 PolarHBondContact O-N 3.16Å; P2995-M2998 VanDerWaalsContact O-N 3.08Å; E2996-M2998 PolarHBondContact O-N 2.93Å; M2998-L3002 HydrophobicContact CG-CD1 4.07Å; M2998-L3002 WeakPolarHBondContact O-CB 3.49Å; M2998-L3002 WeakPolarHBondContact O-CD1 3.49Å; M2998-L3002 WeakPolarHBondContact O-CG 3.37Å; M2998-L3002 PolarHBondContact O-N 2.93Å; M2998-L3018 HydrophobicContact CE-CD2 3.38Å; M2998-L3018 HydrophobicContact CG-CD2 4.46Å; M2998-M3021 HydrophobicContact CB-SD 4.3Å; M2998-M3021 HydrophobicContact CG-CE 4.4Å; M2998-M3021 HydrophobicContact CG-SD 4.02Å; M2998-L3181 HydrophobicContact SD-CD1 3.93Å; M2998-L3181 HydrophobicContact SD-CD2 4.44Å; M2998-L3181 HydrophobicContact SD-CG 4.42Å; M2998-L3185 HydrophobicContact CE-CB 4.43Å; M2998-L3185 HydrophobicContact CE-CD1 3.99Å; M2998-L3185 HydrophobicContact CE-CD2 3.91Å; M2998-L3185 HydrophobicContact CE-CG 4.34Å |
| 2999 | R | 85.8 | Confident | 86.8 | Confident | 55 Ų | 55 | 47 Ų | 47 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.3 | -176.8 | -178.7 | 66.2 | -158.2 | -1.5 | 111.4 | G2991 L2994 P2995 E2996 P2997 E3001 L3002 D3003 Y3188 | G2991-R2999 WeakPolarHBondContact O-CD 3.24Å; G2991-R2999 PolarHBondContact O-NH1 3.08Å; G2991-R2999 VanDerWaalsContact O-NH1 3.09Å; L2994-R2999 HydrophobicContact CB-CB 4.29Å; P2995-R2999 PolarHBondContact O-N 3Å; E2996-R2999 PolarHBondContact O-N 3.05Å; E2996-R2999 IonicContact OE1-NH2 2.64Å; E2996-R2999 PolarHBondContact OE1-NH2 3.48Å; P2997-R2999 VanDerWaalsContact C-N 3.34Å; P2997-R2999 PolarHBondContact O-N 3.04Å; R2999-E3001 VanDerWaalsContact C-N 3.34Å; R2999-E3001 PolarHBondContact O-N 3.44Å; R2999-L3002 WeakPolarHBondContact O-CB 3.4Å; R2999-L3002 PolarHBondContact O-N 3.47Å; R2999-D3003 VanDerWaalsContact O-CG 3.26Å; R2999-D3003 PolarHBondContact O-N 2.89Å; R2999-Y3188 HydrophobicContact CG-CE1 4.35Å |
| 3000 | C | 86.1 | Confident | 87 | Confident | 66.5 Ų | 66.5 | 46.7 Ų | 46.7 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 179.3 | -69 | 0 | 0 | 0 | 0 | 112.2 | E2996 P2997 D3003 A3004 | E2996-C3000 PolarHBondContact O-N 3.24Å; E2996-C3000 PolarHBondContact O-SG 3.15Å; P2997-C3000 PolarHBondContact O-N 2.92Å; C3000-D3003 PolarHBondContact O-N 3.01Å; C3000-A3004 WeakPolarHBondContact O-CB 3.42Å; C3000-A3004 PolarHBondContact O-N 2.99Å |
| 3001 | E | 88 | Confident | 87.1 | Confident | 67 Ų | 67 | 49.6 Ų | 49.6 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.4 | -71.2 | 176.4 | -166.3 | 0 | 0 | 112.2 | P2997 R2999 A3004 Y3005 L3014 | P2997-E3001 WeakPolarHBondContact O-CG 3.3Å; P2997-E3001 PolarHBondContact O-N 2.84Å; R2999-E3001 VanDerWaalsContact C-N 3.34Å; R2999-E3001 PolarHBondContact O-N 3.44Å; E3001-A3004 PolarHBondContact O-N 2.71Å; E3001-Y3005 WeakPolarHBondContact O-CB 3.35Å; E3001-Y3005 PolarHBondContact O-N 2.9Å; E3001-L3014 HydrophobicContact CB-CD1 3.91Å; E3001-L3014 HydrophobicContact CB-CD2 4.41Å; E3001-L3014 WeakPolarHBondContact O-CD2 2.88Å; E3001-L3014 WeakPolarHBondContact OE2-CD1 3.4Å |
| 3002 | L | 92.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 172.6 | -74.9 | 162.6 | 0 | 0 | 0 | 110.7 | L2994 M2998 R2999 A3004 Y3005 L3006 L3014 L3018 L3185 Y3188 I3217 | L2994-L3002 HydrophobicContact CD1-CD1 3.97Å; M2998-L3002 HydrophobicContact CG-CD1 4.07Å; M2998-L3002 WeakPolarHBondContact O-CB 3.49Å; M2998-L3002 WeakPolarHBondContact O-CD1 3.49Å; M2998-L3002 WeakPolarHBondContact O-CG 3.37Å; M2998-L3002 PolarHBondContact O-N 2.93Å; R2999-L3002 WeakPolarHBondContact O-CB 3.4Å; R2999-L3002 PolarHBondContact O-N 3.47Å; L3002-A3004 VanDerWaalsContact C-N 3.33Å; L3002-A3004 PolarHBondContact O-N 3.3Å; L3002-Y3005 CarbonylContact O-C 3.58Å; L3002-Y3005 PolarHBondContact O-N 3.01Å; L3002-Y3005 VanDerWaalsContact O-N 3.13Å; L3002-L3006 WeakPolarHBondContact O-CB 3.24Å; L3002-L3006 WeakPolarHBondContact O-CG 3.36Å; L3002-L3006 PolarHBondContact O-N 3.2Å; L3002-L3014 HydrophobicContact CD2-CD2 4.24Å; L3002-L3018 HydrophobicContact CD2-CD1 4.26Å; L3002-L3018 HydrophobicContact CD2-CD2 4.24Å; L3002-L3185 HydrophobicContact CD1-CD1 3.57Å; L3002-L3185 HydrophobicContact CD2-CD1 3.88Å; L3002-L3185 HydrophobicContact CG-CD1 4.39Å; L3002-Y3188 HydrophobicContact CB-CE1 4.42Å; L3002-Y3188 HydrophobicContact CD1-CD1 4.32Å; L3002-I3217 HydrophobicContact CD2-CD1 3.94Å |
| 3003 | D | 94 | Very high | 87.6 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | -179.3 | -69 | -21.2 | 0 | 0 | 0 | 112.2 | R2999 C3000 L3006 T3007 Y3188 | R2999-D3003 VanDerWaalsContact O-CG 3.26Å; R2999-D3003 PolarHBondContact O-N 2.89Å; C3000-D3003 PolarHBondContact O-N 3.01Å; D3003-L3006 PolarHBondContact O-N 3.39Å; D3003-T3007 WeakPolarHBondContact O-CB 3.39Å; D3003-T3007 PolarHBondContact O-N 3.17Å; D3003-T3007 PolarHBondContact O-OG1 3.4Å; D3003-Y3188 VanDerWaalsContact CG-OH 3.31Å; D3003-Y3188 WeakPolarHBondContact OD1-CE1 3.49Å; D3003-Y3188 PolarHBondContact OD1-OH 3.17Å; D3003-Y3188 PolarHBondContact OD2-OH 2.83Å |
| 3004 | A | 93.3 | Very high | 87.8 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C3000 E3001 L3002 T3007 T3008 A3010 | C3000-A3004 WeakPolarHBondContact O-CB 3.42Å; C3000-A3004 PolarHBondContact O-N 2.99Å; E3001-A3004 PolarHBondContact O-N 2.71Å; L3002-A3004 VanDerWaalsContact C-N 3.33Å; L3002-A3004 PolarHBondContact O-N 3.3Å; A3004-T3007 PolarHBondContact O-N 3.38Å; A3004-T3008 WeakPolarHBondContact O-CB 3.4Å; A3004-T3008 PolarHBondContact O-N 3.29Å; A3004-T3008 PolarHBondContact O-OG1 2.94Å; A3004-A3010 CarbonylContact C-O 3.58Å |
| 3005 | Y | 95.2 | Very high | 88.1 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 177.5 | -175.2 | -88.8 | 0 | 0 | 0 | 112.4 | E3001 L3002 T3007 R3009 A3010 P3011 L3014 L3015 P3213 D3216 I3217 | E3001-Y3005 WeakPolarHBondContact O-CB 3.35Å; E3001-Y3005 PolarHBondContact O-N 2.9Å; L3002-Y3005 CarbonylContact O-C 3.58Å; L3002-Y3005 PolarHBondContact O-N 3.01Å; L3002-Y3005 VanDerWaalsContact O-N 3.13Å; Y3005-T3007 PolarHBondContact O-N 3.3Å; Y3005-R3009 WeakPolarHBondContact O-CA 3.32Å; Y3005-R3009 PolarHBondContact O-N 3.41Å; Y3005-A3010 WeakPolarHBondContact CA-O 3.27Å; Y3005-A3010 PolarHBondContact N-O 2.78Å; Y3005-P3011 WeakPolarHBondContact CD2-O 3.28Å; Y3005-L3014 VanDerWaalsContact CB-CD2 3.43Å; Y3005-L3014 HydrophobicContact CD2-CD2 4.28Å; Y3005-L3014 HydrophobicContact CG-CD2 3.85Å; Y3005-L3015 HydrophobicContact CE1-CD2 4.08Å; Y3005-L3015 HydrophobicContact CE2-CD1 4.45Å; Y3005-L3015 HydrophobicContact CE2-CD2 4.25Å; Y3005-L3015 HydrophobicContact CE2-CG 4.11Å; Y3005-P3213 HydrophobicContact CE1-CB 4.41Å; Y3005-D3216 HydrophobicContact CE1-CB 4.47Å; Y3005-I3217 HydrophobicContact CD1-CD1 3.95Å; Y3005-I3217 HydrophobicContact CD1-CG1 4.01Å; Y3005-I3217 HydrophobicContact CE1-CD1 4.26Å; Y3005-I3217 HydrophobicContact CE1-CG1 3.85Å |
| 3006 | L | 94.2 | Very high | 88.6 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -28.7 | 177.8 | -67.9 | -179 | 0 | 0 | 0 | 112.3 | L3002 D3003 T3192 P3213 Q3214 I3217 | L3002-L3006 WeakPolarHBondContact O-CB 3.24Å; L3002-L3006 WeakPolarHBondContact O-CG 3.36Å; L3002-L3006 PolarHBondContact O-N 3.2Å; D3003-L3006 PolarHBondContact O-N 3.39Å; L3006-T3192 HydrophobicContact CD1-CG2 4.01Å; L3006-T3192 WeakPolarHBondContact CD1-OG1 3.43Å; L3006-P3213 HydrophobicContact CD2-CB 4.25Å; L3006-P3213 HydrophobicContact CD2-CG 4.28Å; L3006-Q3214 HydrophobicContact CD2-CG 3.68Å; L3006-I3217 HydrophobicContact CD2-CD1 3.76Å |
| 3007 | T | 92.6 | Very high | 89.2 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -85 | -45.5 | 178.5 | -54 | 0 | 0 | 0 | 0 | 112.5 | D3003 A3004 Y3005 | D3003-T3007 WeakPolarHBondContact O-CB 3.39Å; D3003-T3007 PolarHBondContact O-N 3.17Å; D3003-T3007 PolarHBondContact O-OG1 3.4Å; A3004-T3007 PolarHBondContact O-N 3.38Å; Y3005-T3007 PolarHBondContact O-N 3.3Å |
| 3008 | T | 92.5 | Very high | 89.8 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -111.6 | -9.6 | -168 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | A3004 A3010 | A3004-T3008 WeakPolarHBondContact O-CB 3.4Å; A3004-T3008 PolarHBondContact O-N 3.29Å; A3004-T3008 PolarHBondContact O-OG1 2.94Å; T3008-A3010 PolarHBondContact O-N 2.94Å; T3008-A3010 PolarHBondContact OG1-N 3.4Å; T3008-A3010 VanDerWaalsContact OG1-N 3.13Å; T3008-A3010 PolarHBondContact OG1-O 2.95Å |
| 3009 | R | 93.2 | Very high | 90 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | trans | 54.3 | 26.4 | -163.2 | -58.9 | -165.1 | -172.4 | -146.6 | 8.8 | 113.8 | Y3005 H3211 P3213 D3216 | Y3005-R3009 WeakPolarHBondContact O-CA 3.32Å; Y3005-R3009 PolarHBondContact O-N 3.41Å; R3009-H3211 PolarHBondContact NH2-O 3.35Å; R3009-P3213 HydrophobicContact CG-CB 4.17Å; R3009-D3216 IonicContact CZ-OD2 3.53Å; R3009-D3216 IonicContact NH1-OD1 3.5Å; R3009-D3216 IonicContact NH1-OD2 3.38Å; R3009-D3216 PolarHBondContact NH1-OD2 3.41Å | ||
| 3010 | A | 89.7 | Confident | 89.8 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | trans | -140 | 149.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A3004 Y3005 T3008 | A3004-A3010 CarbonylContact C-O 3.58Å; Y3005-A3010 WeakPolarHBondContact CA-O 3.27Å; Y3005-A3010 PolarHBondContact N-O 2.78Å; T3008-A3010 PolarHBondContact O-N 2.94Å; T3008-A3010 PolarHBondContact OG1-N 3.4Å; T3008-A3010 VanDerWaalsContact OG1-N 3.13Å; T3008-A3010 PolarHBondContact OG1-O 2.95Å | ||
| 3011 | P | 87.9 | Confident | 89.6 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 40% | 0.403 | 32% | 0.317 | S | S | . | . | cis | -79.5 | 138.6 | -0.2 | 31.9 | -33.6 | 0 | 0 | 0 | 113.1 | Y3005 K3013 L3014 | Y3005-P3011 WeakPolarHBondContact CD2-O 3.28Å; P3011-K3013 PolarHBondContact O-N 3.38Å; P3011-L3014 VanDerWaalsContact O-CB 3.26Å; P3011-L3014 WeakPolarHBondContact O-CB 3.2Å; P3011-L3014 PolarHBondContact O-N 2.91Å | ||
| 3012 | V | 89 | Confident | 89.4 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.5 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | L3014 L3015 | V3012-L3014 PolarHBondContact O-N 3.43Å; V3012-L3014 VanDerWaalsContact O-N 3.16Å; V3012-L3015 HydrophobicContact CG1-CD1 4.32Å; V3012-L3015 WeakPolarHBondContact O-CB 3.27Å; V3012-L3015 PolarHBondContact O-N 3.37Å; V3012-L3015 VanDerWaalsContact O-N 3.09Å |
| 3013 | K | 88.9 | Confident | 88.8 | Confident | 146 Ų | 146 | 59 Ų | 59 | 64% | 0.635 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.2 | 176.5 | -67.4 | -176.3 | 178.9 | -179 | 0 | 113.2 | P3011 L3015 S3016 E3017 | P3011-K3013 PolarHBondContact O-N 3.38Å; K3013-L3015 PolarHBondContact O-N 2.92Å; K3013-L3015 VanDerWaalsContact O-N 3.16Å; K3013-S3016 PolarHBondContact O-N 3.28Å; K3013-S3016 VanDerWaalsContact O-N 3.08Å; K3013-S3016 PolarHBondContact O-OG 2.86Å; K3013-E3017 WeakPolarHBondContact O-CG 3.43Å; K3013-E3017 PolarHBondContact O-N 3.1Å |
| 3014 | L | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51 | -40.7 | 175.2 | 177.7 | 63.2 | 0 | 0 | 0 | 111.5 | E3001 L3002 Y3005 P3011 V3012 S3016 E3017 L3018 M3021 | E3001-L3014 HydrophobicContact CB-CD1 3.91Å; E3001-L3014 HydrophobicContact CB-CD2 4.41Å; E3001-L3014 WeakPolarHBondContact O-CD2 2.88Å; E3001-L3014 WeakPolarHBondContact OE2-CD1 3.4Å; L3002-L3014 HydrophobicContact CD2-CD2 4.24Å; Y3005-L3014 VanDerWaalsContact CB-CD2 3.43Å; Y3005-L3014 HydrophobicContact CD2-CD2 4.28Å; Y3005-L3014 HydrophobicContact CG-CD2 3.85Å; P3011-L3014 VanDerWaalsContact O-CB 3.26Å; P3011-L3014 WeakPolarHBondContact O-CB 3.2Å; P3011-L3014 PolarHBondContact O-N 2.91Å; V3012-L3014 PolarHBondContact O-N 3.43Å; V3012-L3014 VanDerWaalsContact O-N 3.16Å; L3014-S3016 VanDerWaalsContact C-N 3.27Å; L3014-S3016 PolarHBondContact O-N 3.35Å; L3014-E3017 PolarHBondContact O-N 3.46Å; L3014-E3017 VanDerWaalsContact O-N 3.14Å; L3014-L3018 HydrophobicContact CD1-CD1 4.37Å; L3014-L3018 HydrophobicContact CD1-CD2 4.14Å; L3014-L3018 HydrophobicContact CD1-CG 3.89Å; L3014-L3018 HydrophobicContact CG-CD1 4.06Å; L3014-L3018 HydrophobicContact CG-CG 4.08Å; L3014-L3018 WeakPolarHBondContact O-CB 3.44Å; L3014-L3018 VanDerWaalsContact O-CG 3.25Å; L3014-L3018 WeakPolarHBondContact O-CG 3.43Å; L3014-L3018 PolarHBondContact O-N 3.28Å; L3014-M3021 HydrophobicContact CD1-CE 3.63Å |
| 3015 | L | 90.5 | Very high | 85.6 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.7 | -36.2 | -177.2 | -66.4 | -173.3 | 0 | 0 | 0 | 113.3 | Y3005 V3012 K3013 I3217 S3220 | Y3005-L3015 HydrophobicContact CE1-CD2 4.08Å; Y3005-L3015 HydrophobicContact CE2-CD1 4.45Å; Y3005-L3015 HydrophobicContact CE2-CD2 4.25Å; Y3005-L3015 HydrophobicContact CE2-CG 4.11Å; V3012-L3015 HydrophobicContact CG1-CD1 4.32Å; V3012-L3015 WeakPolarHBondContact O-CB 3.27Å; V3012-L3015 PolarHBondContact O-N 3.37Å; V3012-L3015 VanDerWaalsContact O-N 3.09Å; K3013-L3015 PolarHBondContact O-N 2.92Å; K3013-L3015 VanDerWaalsContact O-N 3.16Å; L3015-I3217 HydrophobicContact CD2-CB 4.4Å; L3015-I3217 HydrophobicContact CD2-CG1 3.88Å; L3015-S3220 WeakPolarHBondContact CB-OG 3.48Å; L3015-S3220 PolarHBondContact O-OG 2.86Å |
| 3016 | S | 86.3 | Confident | 83.3 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -83.1 | -35.8 | 174.1 | 46.1 | 0 | 0 | 0 | 0 | 112.5 | K3013 L3014 L3018 V3019 | K3013-S3016 PolarHBondContact O-N 3.28Å; K3013-S3016 VanDerWaalsContact O-N 3.08Å; K3013-S3016 PolarHBondContact O-OG 2.86Å; L3014-S3016 VanDerWaalsContact C-N 3.27Å; L3014-S3016 PolarHBondContact O-N 3.35Å; S3016-L3018 VanDerWaalsContact C-N 3.34Å; S3016-L3018 PolarHBondContact O-N 3.16Å; S3016-V3019 PolarHBondContact O-N 3.14Å |
| 3017 | E | 86.6 | Confident | 80.9 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.6 | -33.2 | -178.7 | -73 | 165.6 | 174.3 | 0 | 0 | 111.7 | K3013 L3014 V3019 T3020 M3021 | K3013-E3017 WeakPolarHBondContact O-CG 3.43Å; K3013-E3017 PolarHBondContact O-N 3.1Å; L3014-E3017 PolarHBondContact O-N 3.46Å; L3014-E3017 VanDerWaalsContact O-N 3.14Å; E3017-V3019 PolarHBondContact O-N 3.14Å; E3017-T3020 CarbonylContact O-C 3.48Å; E3017-T3020 WeakPolarHBondContact O-CA 3.37Å; E3017-T3020 PolarHBondContact O-N 2.72Å; E3017-T3020 PolarHBondContact O-OG1 3.11Å; E3017-M3021 HydrophobicContact CB-CE 4.11Å; E3017-M3021 WeakPolarHBondContact O-CG 3.33Å; E3017-M3021 PolarHBondContact O-N 3.43Å |
| 3018 | L | 87.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.1 | -38.8 | 175.3 | -76.9 | 169.1 | 0 | 0 | 0 | 112.6 | M2998 L3002 L3014 S3016 T3020 M3021 L3022 L3185 I3217 L3221 | M2998-L3018 HydrophobicContact CE-CD2 3.38Å; M2998-L3018 HydrophobicContact CG-CD2 4.46Å; L3002-L3018 HydrophobicContact CD2-CD1 4.26Å; L3002-L3018 HydrophobicContact CD2-CD2 4.24Å; L3014-L3018 HydrophobicContact CD1-CD1 4.37Å; L3014-L3018 HydrophobicContact CD1-CD2 4.14Å; L3014-L3018 HydrophobicContact CD1-CG 3.89Å; L3014-L3018 HydrophobicContact CG-CD1 4.06Å; L3014-L3018 HydrophobicContact CG-CG 4.08Å; L3014-L3018 WeakPolarHBondContact O-CB 3.44Å; L3014-L3018 VanDerWaalsContact O-CG 3.25Å; L3014-L3018 WeakPolarHBondContact O-CG 3.43Å; L3014-L3018 PolarHBondContact O-N 3.28Å; S3016-L3018 VanDerWaalsContact C-N 3.34Å; S3016-L3018 PolarHBondContact O-N 3.16Å; L3018-T3020 VanDerWaalsContact C-N 3.31Å; L3018-T3020 PolarHBondContact O-N 3.25Å; L3018-M3021 HydrophobicContact CD2-CE 3.83Å; L3018-M3021 HydrophobicContact CG-CE 4.13Å; L3018-M3021 PolarHBondContact O-N 3.31Å; L3018-L3022 WeakPolarHBondContact O-CB 3.18Å; L3018-L3022 VanDerWaalsContact O-CD1 3.3Å; L3018-L3022 WeakPolarHBondContact O-CD1 3.18Å; L3018-L3022 WeakPolarHBondContact O-CG 3.36Å; L3018-L3022 PolarHBondContact O-N 3.28Å; L3018-L3185 HydrophobicContact CD2-CD1 4.42Å; L3018-L3185 HydrophobicContact CD2-CD2 4.21Å; L3018-I3217 HydrophobicContact CD1-CG2 3.81Å; L3018-L3221 HydrophobicContact CB-CD2 3.97Å |
| 3019 | V | 87.1 | Confident | 75.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | S3016 E3017 L3221 N3224 L3225 | S3016-V3019 PolarHBondContact O-N 3.14Å; E3017-V3019 PolarHBondContact O-N 3.14Å; V3019-L3221 HydrophobicContact CG2-CD2 4.14Å; V3019-N3224 HydrophobicContact CG2-CB 3.67Å; V3019-L3225 HydrophobicContact CG1-CD2 4.02Å; V3019-L3225 HydrophobicContact CG2-CD2 4.3Å; V3019-L3225 HydrophobicContact CG2-CG 4.38Å |
| 3020 | T | 81 | Confident | 72.8 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.6 | -37.5 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | E3017 L3018 L3022 R3023 | E3017-T3020 CarbonylContact O-C 3.48Å; E3017-T3020 WeakPolarHBondContact O-CA 3.37Å; E3017-T3020 PolarHBondContact O-N 2.72Å; E3017-T3020 PolarHBondContact O-OG1 3.11Å; L3018-T3020 VanDerWaalsContact C-N 3.31Å; L3018-T3020 PolarHBondContact O-N 3.25Å; T3020-L3022 VanDerWaalsContact C-N 3.28Å; T3020-L3022 PolarHBondContact O-N 3.16Å; T3020-R3023 PolarHBondContact O-N 2.99Å |
| 3021 | M | 81.2 | Confident | 70.1 | Confident | 59 Ų | 59 | 60 Ų | 60 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -28.3 | 177.6 | -72.5 | -165.6 | -92.7 | 0 | 0 | 113 | M2998 L3014 E3017 L3018 L3181 | M2998-M3021 HydrophobicContact CB-SD 4.3Å; M2998-M3021 HydrophobicContact CG-CE 4.4Å; M2998-M3021 HydrophobicContact CG-SD 4.02Å; L3014-M3021 HydrophobicContact CD1-CE 3.63Å; E3017-M3021 HydrophobicContact CB-CE 4.11Å; E3017-M3021 WeakPolarHBondContact O-CG 3.33Å; E3017-M3021 PolarHBondContact O-N 3.43Å; L3018-M3021 HydrophobicContact CD2-CE 3.83Å; L3018-M3021 HydrophobicContact CG-CE 4.13Å; L3018-M3021 PolarHBondContact O-N 3.31Å; M3021-L3181 WeakPolarHBondContact O-CD2 3.5Å |
| 3022 | L | 85.1 | Confident | 67.3 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -14.6 | 179.8 | -71.8 | 163.9 | 0 | 0 | 0 | 113.7 | L3018 T3020 Y3177 N3178 L3181 M3182 L3185 L3221 | L3018-L3022 WeakPolarHBondContact O-CB 3.18Å; L3018-L3022 VanDerWaalsContact O-CD1 3.3Å; L3018-L3022 WeakPolarHBondContact O-CD1 3.18Å; L3018-L3022 WeakPolarHBondContact O-CG 3.36Å; L3018-L3022 PolarHBondContact O-N 3.28Å; T3020-L3022 VanDerWaalsContact C-N 3.28Å; T3020-L3022 PolarHBondContact O-N 3.16Å; L3022-Y3177 HydrophobicContact CB-CD1 4.17Å; L3022-Y3177 WeakPolarHBondContact O-CA 3.32Å; L3022-N3178 PolarHBondContact O-N 3.22Å; L3022-L3181 HydrophobicContact CD2-CB 4.45Å; L3022-L3181 HydrophobicContact CD2-CD2 4.22Å; L3022-L3181 HydrophobicContact CD2-CG 4.01Å; L3022-M3182 HydrophobicContact CB-CE 4.11Å; L3022-M3182 HydrophobicContact CD1-CE 3.78Å; L3022-M3182 HydrophobicContact CD1-SD 3.63Å; L3022-M3182 HydrophobicContact CD2-CB 4.22Å; L3022-M3182 HydrophobicContact CD2-CE 4.18Å; L3022-M3182 HydrophobicContact CD2-SD 3.96Å; L3022-M3182 HydrophobicContact CG-CE 4.25Å; L3022-M3182 HydrophobicContact CG-SD 4.34Å; L3022-L3185 HydrophobicContact CD1-CD2 3.93Å; L3022-L3185 HydrophobicContact CD2-CD2 4.04Å; L3022-L3185 HydrophobicContact CG-CD2 4.37Å; L3022-L3221 HydrophobicContact CD1-CD2 3.79Å |
| 3023 | R | 79.4 | Confident | 64.5 | Low | 112 Ų | 112 | 62.3 Ų | 62.3 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -75.2 | 149.1 | 178.1 | -73.1 | -177.2 | 177.8 | -174.3 | -2.2 | 111.7 | T3020 H3176 Y3177 D3226 | T3020-R3023 PolarHBondContact O-N 2.99Å; R3023-H3176 CarbonylContact C-O 3.34Å; R3023-H3176 WeakPolarHBondContact CA-O 3.4Å; R3023-Y3177 HydrophobicContact CG-CD1 4.04Å; R3023-Y3177 HydrophobicContact CG-CE1 3.65Å; R3023-D3226 IonicContact NH2-OD2 2.72Å |
| 3024 | R | 65.5 | Low | 61.7 | Low | 42 Ų | 42 | 60.5 Ų | 60.5 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | trans | -71.1 | 146.5 | 173.8 | -67.1 | -174.2 | 179.7 | -175.7 | -14.1 | 110.1 | D3026 D3027 M3175 H3176 Y3177 N3178 | R3024-D3026 VanDerWaalsContact C-N 3.25Å; R3024-D3026 PolarHBondContact O-N 3.23Å; R3024-D3027 PolarHBondContact O-N 2.81Å; R3024-M3175 WeakPolarHBondContact CD-O 3.35Å; R3024-H3176 PolarHBondContact N-O 2.8Å; R3024-Y3177 PolarHBondContact NE-O 3.31Å; R3024-N3178 HydrophobicContact CG-CB 4.48Å | ||
| 3025 | A | 54.3 | Low | 59.2 | Low | 21 Ų | 21 | 68.7 Ų | 68.7 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -62.4 | -31.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D3027 I3028 Y3054 | A3025-D3027 VanDerWaalsContact C-N 3.3Å; A3025-D3027 PolarHBondContact O-N 2.98Å; A3025-I3028 PolarHBondContact O-N 2.77Å; A3025-Y3054 HydrophobicContact CB-CE2 4.39Å; A3025-Y3054 WeakPolarHBondContact CB-OH 3.4Å |
| 3026 | D | 48.4 | Very low | 56.8 | Low | 45 Ų | 45 | 76 Ų | 76 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -70.1 | -23.5 | -175.9 | -69.5 | -32 | 0 | 0 | 0 | 113.4 | T2430 S2431 R3024 I3029 | T2430-D3026 WeakPolarHBondContact CB-OD1 3.38Å; S2431-D3026 PolarHBondContact N-OD1 3.45Å; S2431-D3026 PolarHBondContact OG-OD1 2.97Å; R3024-D3026 VanDerWaalsContact C-N 3.25Å; R3024-D3026 PolarHBondContact O-N 3.23Å; D3026-I3029 VanDerWaalsContact O-O 3.07Å |
| 3027 | D | 42 | Very low | 54.1 | Low | 77 Ų | 77 | 81.1 Ų | 81.1 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -80.2 | -17.2 | 178.1 | -63.7 | -45.2 | 0 | 0 | 0 | 113.9 | R3024 A3025 I3029 H3176 | R3024-D3027 PolarHBondContact O-N 2.81Å; A3025-D3027 VanDerWaalsContact C-N 3.3Å; A3025-D3027 PolarHBondContact O-N 2.98Å; D3027-I3029 PolarHBondContact O-N 2.93Å; D3027-H3176 IonicContact OD1-CD2 3.42Å; D3027-H3176 WeakPolarHBondContact OD2-CA 3.34Å; D3027-H3176 WeakPolarHBondContact OD2-CB 3.5Å; D3027-H3176 IonicContact OD2-CD2 2.78Å; D3027-H3176 PolarHBondContact OD2-CD2 2.91Å; D3027-H3176 IonicContact OD2-CG 2.69Å |
| 3028 | I | 42.4 | Very low | 51.6 | Low | 110 Ų | 110 | 81.3 Ų | 81.3 | 56% | 0.564 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -73.4 | -19.2 | 178 | -56.9 | 177.5 | 0 | 0 | 0 | 110.2 | A3025 | A3025-I3028 PolarHBondContact O-N 2.77Š|
| 3029 | I | 35.5 | Very low | 49.4 | Very low | 18 Ų | 18 | 92.2 Ų | 92.2 | 9% | 0.092 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -124 | 108.3 | -174.9 | -62 | 164.8 | 0 | 0 | 0 | 109.3 | D3026 D3027 H3047 L3051 | D3026-I3029 VanDerWaalsContact O-O 3.07Å; D3027-I3029 PolarHBondContact O-N 2.93Å; I3029-H3047 WeakPolarHBondContact CG2-CE1 3.29Å; I3029-L3051 HydrophobicContact CD1-CD2 3.79Å |
| 3030 | P | 31.3 | Very low | 47.2 | Very low | 98 Ų | 98 | 95.6 Ų | 95.6 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 139.5 | -178.4 | 22.4 | -31.3 | 0 | 0 | 0 | 111.2 | ||
| 3031 | P | 31.9 | Very low | 45.1 | Very low | 105 Ų | 105 | 96.4 Ų | 96.4 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 147.2 | -178.6 | 22.8 | -31.8 | 0 | 0 | 0 | 111.6 | P3033 | P3031-P3033 WeakPolarHBondContact O-CD 3.35Š|
| 3032 | I | 30.8 | Very low | 43 | Very low | 121 Ų | 121 | 100.1 Ų | 100.1 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 118.4 | 179.3 | -58.1 | 164.4 | 0 | 0 | 0 | 108.6 | ||
| 3033 | P | 28.8 | Very low | 40.8 | Very low | 88 Ų | 88 | 106.6 Ų | 106.6 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142 | 175.3 | 23.8 | -29.7 | 0 | 0 | 0 | 109.6 | P3031 | P3031-P3033 WeakPolarHBondContact O-CD 3.35Š|
| 3034 | P | 29.9 | Very low | 38.8 | Very low | 108 Ų | 108 | 106.2 Ų | 106.2 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -54 | 146.5 | -178.9 | -7.6 | 8.1 | 0 | 0 | 0 | 111.8 | Q3036 F3037 | P3034-Q3036 PolarHBondContact O-N 3.29Å; P3034-F3037 PolarHBondContact O-N 3.08Å |
| 3035 | L | 37 | Very low | 37.6 | Very low | 172 Ų | 172 | 106.2 Ų | 106.2 | 90% | 0.901 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -49.6 | -11.8 | -168.6 | -80.3 | 167 | 0 | 0 | 0 | 117.2 | ||
| 3036 | Q | 40.4 | Very low | 36.8 | Very low | 179 Ų | 179 | 113.9 Ų | 113.9 | 84% | 0.836 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -81.9 | -3.5 | 178.8 | -79.3 | -173.1 | -38.6 | 0 | 0 | 115.4 | P3034 | P3034-Q3036 PolarHBondContact O-N 3.29Š|
| 3037 | F | 30.6 | Very low | 36.2 | Very low | 178 Ų | 178 | 114.4 Ų | 114.4 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -128.4 | 31.6 | 179.6 | -69.4 | -74.7 | 0 | 0 | 0 | 115.3 | P3034 Y3039 | P3034-F3037 PolarHBondContact O-N 3.08Å; F3037-Y3039 PolarHBondContact O-N 3.21Å |
| 3038 | S | 33.7 | Very low | 36 | Very low | 79 Ų | 79 | 116.1 Ų | 116.1 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | -88.6 | 90.2 | 172.5 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3039 | Y | 41 | Very low | 35.9 | Very low | 230 Ų | 230 | 115.5 Ų | 115.5 | 90% | 0.902 | 59% | 0.591 | S | S | * | * | trans | -143.8 | 40.9 | 164.9 | -86.9 | -73.8 | 0 | 0 | 0 | 112.8 | F3037 | F3037-Y3039 PolarHBondContact O-N 3.21Š| ||
| 3040 | N | 41.5 | Very low | 36 | Very low | 81 Ų | 81 | 116.7 Ų | 116.7 | 43% | 0.433 | 60% | 0.603 | S | S | . | * | trans | -135.7 | 96.9 | 166.9 | -150 | -17 | 0 | 0 | 0 | 113.5 | Q3042 Q3043 | N3040-Q3042 PolarHBondContact O-N 3.21Å; N3040-Q3042 VanDerWaalsContact O-N 3.09Å; N3040-Q3043 PolarHBondContact O-N 2.84Å; N3040-Q3043 VanDerWaalsContact O-N 3.1Å | ||
| 3041 | P | 37.4 | Very low | 36.3 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 66% | 0.656 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.1 | -23.1 | -178.6 | 19.5 | -29.5 | 0 | 0 | 0 | 113.8 | A3045 | P3041-A3045 PolarHBondContact O-N 3.49Å |
| 3042 | Q | 37.1 | Very low | 36.6 | Very low | 138 Ų | 138 | 109.4 Ų | 109.4 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.3 | -36 | 176 | -76 | -174.8 | -18.8 | 0 | 0 | 113.6 | N3040 R3046 | N3040-Q3042 PolarHBondContact O-N 3.21Å; N3040-Q3042 VanDerWaalsContact O-N 3.09Å; Q3042-R3046 WeakPolarHBondContact O-CG 3.19Å; Q3042-R3046 PolarHBondContact O-N 2.84Å; Q3042-R3046 VanDerWaalsContact O-N 3.15Å |
| 3043 | Q | 38.2 | Very low | 36.8 | Very low | 136 Ų | 136 | 106.3 Ų | 106.3 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.8 | -38.7 | 178.3 | -90.9 | 175.5 | -35.8 | 0 | 0 | 111.4 | N3040 R3046 H3047 | N3040-Q3043 PolarHBondContact O-N 2.84Å; N3040-Q3043 VanDerWaalsContact O-N 3.1Å; Q3043-R3046 PolarHBondContact O-N 3.38Å; Q3043-H3047 WeakPolarHBondContact O-CB 3.01Å; Q3043-H3047 PolarHBondContact O-N 3.06Å |
| 3044 | Q | 37.3 | Very low | 37.3 | Very low | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 178.9 | -166.7 | 165.7 | 6 | 0 | 0 | 112.3 | H3047 Q3048 | Q3044-H3047 PolarHBondContact O-N 2.97Å; Q3044-Q3048 PolarHBondContact O-N 3.39Å |
| 3045 | A | 39.5 | Very low | 37.7 | Very low | 42 Ų | 42 | 101.9 Ų | 101.9 | 35% | 0.347 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | P3041 H3047 Q3048 Q3049 | P3041-A3045 PolarHBondContact O-N 3.49Å; A3045-H3047 VanDerWaalsContact C-N 3.33Å; A3045-H3047 PolarHBondContact O-N 2.98Å; A3045-Q3048 PolarHBondContact O-N 3.33Å; A3045-Q3049 WeakPolarHBondContact O-CB 3.3Å; A3045-Q3049 WeakPolarHBondContact O-CG 3.3Å; A3045-Q3049 PolarHBondContact O-N 3.46Å |
| 3046 | R | 37.2 | Very low | 37.6 | Very low | 182 Ų | 182 | 96.5 Ų | 96.5 | 69% | 0.687 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 174 | -76.8 | -173.7 | -176 | 177.6 | 3 | 112.3 | Q3042 Q3043 Q3049 A3050 | Q3042-R3046 WeakPolarHBondContact O-CG 3.19Å; Q3042-R3046 PolarHBondContact O-N 2.84Å; Q3042-R3046 VanDerWaalsContact O-N 3.15Å; Q3043-R3046 PolarHBondContact O-N 3.38Å; R3046-Q3049 PolarHBondContact O-N 3.35Å; R3046-A3050 WeakPolarHBondContact O-CB 3.38Å; R3046-A3050 PolarHBondContact O-N 2.95Å |
| 3047 | H | 35.9 | Very low | 37.3 | Very low | 57 Ų | 57 | 90.4 Ų | 90.4 | 26% | 0.264 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 178.4 | -172.8 | 88.1 | 0 | 0 | 0 | 112.2 | I3029 Q3043 Q3044 A3045 A3050 L3051 | I3029-H3047 WeakPolarHBondContact CG2-CE1 3.29Å; Q3043-H3047 WeakPolarHBondContact O-CB 3.01Å; Q3043-H3047 PolarHBondContact O-N 3.06Å; Q3044-H3047 PolarHBondContact O-N 2.97Å; A3045-H3047 VanDerWaalsContact C-N 3.33Å; A3045-H3047 PolarHBondContact O-N 2.98Å; H3047-A3050 PolarHBondContact O-N 2.88Å; H3047-L3051 PolarHBondContact O-N 3.18Å |
| 3048 | Q | 39 | Very low | 37.4 | Very low | 113 Ų | 113 | 84.2 Ų | 84.2 | 53% | 0.528 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 173.9 | -79 | 177.6 | -26.1 | 0 | 0 | 112.3 | Q3044 A3045 A3050 L3051 A3052 | Q3044-Q3048 PolarHBondContact O-N 3.39Å; A3045-Q3048 PolarHBondContact O-N 3.33Å; Q3048-A3050 VanDerWaalsContact C-N 3.33Å; Q3048-L3051 PolarHBondContact O-N 3.11Å; Q3048-A3052 WeakPolarHBondContact O-CB 3.5Å; Q3048-A3052 PolarHBondContact O-N 2.84Å |
| 3049 | Q | 39.9 | Very low | 37.4 | Very low | 96 Ų | 96 | 81.8 Ų | 81.8 | 45% | 0.449 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 172.3 | -78.1 | 176.6 | -13.4 | 0 | 0 | 112 | A3045 R3046 A3052 A3053 | A3045-Q3049 WeakPolarHBondContact O-CB 3.3Å; A3045-Q3049 WeakPolarHBondContact O-CG 3.3Å; A3045-Q3049 PolarHBondContact O-N 3.46Å; R3046-Q3049 PolarHBondContact O-N 3.35Å; Q3049-A3052 PolarHBondContact O-N 3.32Å; Q3049-A3053 WeakPolarHBondContact O-CB 3.48Å; Q3049-A3053 PolarHBondContact O-N 3.29Å |
| 3050 | A | 36.9 | Very low | 36.8 | Very low | 44 Ų | 44 | 73.4 Ų | 73.4 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R3046 H3047 Q3048 A3053 Y3054 | R3046-A3050 WeakPolarHBondContact O-CB 3.38Å; R3046-A3050 PolarHBondContact O-N 2.95Å; H3047-A3050 PolarHBondContact O-N 2.88Å; Q3048-A3050 VanDerWaalsContact C-N 3.33Å; A3050-A3053 CarbonylContact O-C 3.58Å; A3050-A3053 PolarHBondContact O-N 2.86Å; A3050-Y3054 WeakPolarHBondContact O-CB 3.42Å; A3050-Y3054 PolarHBondContact O-N 3.35Å |
| 3051 | L | 38.2 | Very low | 36.4 | Very low | 25 Ų | 25 | 75 Ų | 75 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 174.8 | -72.6 | 169.9 | 0 | 0 | 0 | 112.2 | A2434 I3029 H3047 Q3048 Y3054 A3055 | A2434-L3051 HydrophobicContact CB-CD1 3.7Å; A2434-L3051 HydrophobicContact CB-CD2 3.81Å; A2434-L3051 HydrophobicContact CB-CG 4.44Å; I3029-L3051 HydrophobicContact CD1-CD2 3.79Å; H3047-L3051 PolarHBondContact O-N 3.18Å; Q3048-L3051 PolarHBondContact O-N 3.11Å; L3051-Y3054 PolarHBondContact O-N 3.27Å; L3051-A3055 PolarHBondContact O-N 3.21Å |
| 3052 | A | 39.5 | Very low | 35.9 | Very low | 24 Ų | 24 | 74.7 Ų | 74.7 | 20% | 0.198 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q3048 Q3049 Y3054 A3055 V3056 | Q3048-A3052 WeakPolarHBondContact O-CB 3.5Å; Q3048-A3052 PolarHBondContact O-N 2.84Å; Q3049-A3052 PolarHBondContact O-N 3.32Å; A3052-Y3054 VanDerWaalsContact C-N 3.3Å; A3052-Y3054 PolarHBondContact O-N 2.89Å; A3052-A3055 PolarHBondContact O-N 3.2Å; A3052-V3056 VanDerWaalsContact O-CB 3.26Å; A3052-V3056 WeakPolarHBondContact O-CB 3.14Å; A3052-V3056 WeakPolarHBondContact O-CG2 3.45Å; A3052-V3056 PolarHBondContact O-N 3.47Å |
| 3053 | A | 34.8 | Very low | 35.3 | Very low | 56 Ų | 56 | 73.3 Ų | 73.3 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -32.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q3049 A3050 V3056 A3057 | Q3049-A3053 WeakPolarHBondContact O-CB 3.48Å; Q3049-A3053 PolarHBondContact O-N 3.29Å; A3050-A3053 CarbonylContact O-C 3.58Å; A3050-A3053 PolarHBondContact O-N 2.86Å; A3053-V3056 CarbonylContact O-C 2.96Å; A3053-V3056 PolarHBondContact O-N 2.89Å; A3053-A3057 WeakPolarHBondContact O-CB 3.08Å; A3053-A3057 PolarHBondContact O-N 2.96Å |
| 3054 | Y | 37.5 | Very low | 34.8 | Very low | 61 Ų | 61 | 69.6 Ų | 69.6 | 24% | 0.239 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.4 | -44.5 | 175.1 | -177.9 | -104 | 0 | 0 | 0 | 111.9 | A3025 A3050 L3051 A3052 V3056 A3057 L3058 | A3025-Y3054 HydrophobicContact CB-CE2 4.39Å; A3025-Y3054 WeakPolarHBondContact CB-OH 3.4Å; A3050-Y3054 WeakPolarHBondContact O-CB 3.42Å; A3050-Y3054 PolarHBondContact O-N 3.35Å; L3051-Y3054 PolarHBondContact O-N 3.27Å; A3052-Y3054 VanDerWaalsContact C-N 3.3Å; A3052-Y3054 PolarHBondContact O-N 2.89Å; Y3054-V3056 VanDerWaalsContact C-N 3.27Å; Y3054-V3056 PolarHBondContact O-N 3Å; Y3054-A3057 PolarHBondContact O-N 3.26Å; Y3054-L3058 HydrophobicContact CD1-CD1 3.99Å; Y3054-L3058 HydrophobicContact CE1-CD1 3.58Å; Y3054-L3058 HydrophobicContact CE1-CG 4.44Å; Y3054-L3058 WeakPolarHBondContact O-CG 3.44Å; Y3054-L3058 PolarHBondContact O-N 2.84Å |
| 3055 | A | 38.3 | Very low | 34.3 | Very low | 42 Ų | 42 | 71.4 Ų | 71.4 | 35% | 0.347 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L3051 A3052 A3059 | L3051-A3055 PolarHBondContact O-N 3.21Å; A3052-A3055 PolarHBondContact O-N 3.2Å; A3055-A3059 WeakPolarHBondContact O-CB 3.43Å; A3055-A3059 PolarHBondContact O-N 3.1Å; A3055-A3059 VanDerWaalsContact O-N 3.09Å |
| 3056 | V | 36 | Very low | 33.6 | Very low | 60 Ų | 60 | 72.9 Ų | 72.9 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 174.2 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | A3052 A3053 Y3054 A3059 A3060 | A3052-V3056 VanDerWaalsContact O-CB 3.26Å; A3052-V3056 WeakPolarHBondContact O-CB 3.14Å; A3052-V3056 WeakPolarHBondContact O-CG2 3.45Å; A3052-V3056 PolarHBondContact O-N 3.47Å; A3053-V3056 CarbonylContact O-C 2.96Å; A3053-V3056 PolarHBondContact O-N 2.89Å; Y3054-V3056 VanDerWaalsContact C-N 3.27Å; Y3054-V3056 PolarHBondContact O-N 3Å; V3056-A3059 CarbonylContact O-C 3.56Å; V3056-A3059 WeakPolarHBondContact O-CA 3.43Å; V3056-A3059 WeakPolarHBondContact O-CB 3.5Å; V3056-A3059 PolarHBondContact O-N 2.68Å; V3056-A3059 VanDerWaalsContact O-N 3.12Å; V3056-A3060 WeakPolarHBondContact O-CA 3.27Å; V3056-A3060 WeakPolarHBondContact O-CB 3.38Å; V3056-A3060 PolarHBondContact O-N 3.1Å |
| 3057 | A | 32.8 | Very low | 33.2 | Very low | 51 Ų | 51 | 69.5 Ų | 69.5 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.9 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A3053 Y3054 A3059 A3060 | A3053-A3057 WeakPolarHBondContact O-CB 3.08Å; A3053-A3057 PolarHBondContact O-N 2.96Å; Y3054-A3057 PolarHBondContact O-N 3.26Å; A3057-A3059 PolarHBondContact O-N 2.76Å; A3057-A3060 PolarHBondContact O-N 3.39Å |
| 3058 | L | 34.7 | Very low | 32.6 | Very low | 48 Ų | 48 | 71.8 Ų | 71.8 | 25% | 0.251 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -32.4 | 168.4 | -76.6 | 166.5 | 0 | 0 | 0 | 112 | Y3054 A3155 L3156 | Y3054-L3058 HydrophobicContact CD1-CD1 3.99Å; Y3054-L3058 HydrophobicContact CE1-CD1 3.58Å; Y3054-L3058 HydrophobicContact CE1-CG 4.44Å; Y3054-L3058 WeakPolarHBondContact O-CG 3.44Å; Y3054-L3058 PolarHBondContact O-N 2.84Å; L3058-A3155 HydrophobicContact CD2-CB 3.83Å; L3058-L3156 HydrophobicContact CD1-CD2 4.28Å |
| 3059 | A | 33 | Very low | 32 | Very low | 27 Ų | 27 | 72.5 Ų | 72.5 | 22% | 0.223 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -84.6 | -29.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L2531 A3055 V3056 A3057 N3061 D3062 | L2531-A3059 HydrophobicContact CD1-CB 3.97Å; L2531-A3059 HydrophobicContact CD2-CB 4.42Å; A3055-A3059 WeakPolarHBondContact O-CB 3.43Å; A3055-A3059 PolarHBondContact O-N 3.1Å; A3055-A3059 VanDerWaalsContact O-N 3.09Å; V3056-A3059 CarbonylContact O-C 3.56Å; V3056-A3059 WeakPolarHBondContact O-CA 3.43Å; V3056-A3059 WeakPolarHBondContact O-CB 3.5Å; V3056-A3059 PolarHBondContact O-N 2.68Å; V3056-A3059 VanDerWaalsContact O-N 3.12Å; A3057-A3059 PolarHBondContact O-N 2.76Å; A3059-N3061 PolarHBondContact O-N 3.08Å; A3059-D3062 WeakPolarHBondContact O-CB 3.23Å; A3059-D3062 PolarHBondContact O-N 3.38Å |
| 3060 | A | 29.1 | Very low | 31.2 | Very low | 55 Ų | 55 | 77 Ų | 77 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.6 | -17.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V3056 A3057 D3062 V3063 | V3056-A3060 WeakPolarHBondContact O-CA 3.27Å; V3056-A3060 WeakPolarHBondContact O-CB 3.38Å; V3056-A3060 PolarHBondContact O-N 3.1Å; A3057-A3060 PolarHBondContact O-N 3.39Å; A3060-D3062 PolarHBondContact O-N 3.35Å; A3060-V3063 PolarHBondContact O-N 2.83Å |
| 3061 | N | 31.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 81.8 Ų | 81.8 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -0.7 | 167.8 | -77.5 | -14.9 | 0 | 0 | 0 | 113.8 | A3059 | A3059-N3061 PolarHBondContact O-N 3.08Š|
| 3062 | D | 26.6 | Very low | 30 | Very low | 96 Ų | 96 | 89.8 Ų | 89.8 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.2 | 5 | 177.9 | -138 | 3.9 | 0 | 0 | 0 | 114.2 | A3059 A3060 | A3059-D3062 WeakPolarHBondContact O-CB 3.23Å; A3059-D3062 PolarHBondContact O-N 3.38Å; A3060-D3062 PolarHBondContact O-N 3.35Å |
| 3063 | V | 24.9 | Very low | 29.2 | Very low | 108 Ų | 108 | 96 Ų | 96 | 66% | 0.655 | 59% | 0.591 | S | S | * | * | trans | -123.6 | 95.7 | 179 | -172.4 | 0 | 0 | 0 | 0 | 110.8 | A3060 | A3060-V3063 PolarHBondContact O-N 2.83Š| ||
| 3064 | G | 27.3 | Very low | 28.8 | Very low | 58 Ų | 58 | 102.8 Ų | 102.8 | 60% | 0.598 | 61% | 0.61 | S | S | * | * | trans | -55.2 | 153.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | G3066 | G3064-G3066 PolarHBondContact O-N 3.18Š| ||
| 3065 | P | 27.3 | Very low | 29 | Very low | 142 Ų | 142 | 105 Ų | 105 | 92% | 0.922 | 63% | 0.632 | S | S | * | * | trans | -68.3 | 95.8 | -165.6 | 26.9 | -33.3 | 0 | 0 | 0 | 111.6 | ||||
| 3066 | G | 25 | Very low | 28.5 | Very low | 72 Ų | 72 | 109.9 Ų | 109.9 | 74% | 0.742 | 65% | 0.651 | S | S | * | * | trans | -69.3 | 123.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G3064 | G3064-G3066 PolarHBondContact O-N 3.18Š| ||
| 3067 | S | 28.1 | Very low | 28.1 | Very low | 112 Ų | 112 | 113.5 Ų | 113.5 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | -59.5 | 132.9 | -179.5 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | V3069 | S3067-V3069 PolarHBondContact O-N 2.95Å; S3067-V3069 VanDerWaalsContact O-N 3.11Å | ||
| 3068 | S | 24 | Very low | 27.7 | Very low | 104 Ų | 104 | 117.9 Ų | 117.9 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -52 | 107 | 175.8 | 155 | 0 | 0 | 0 | 0 | 112.4 | K3070 | S3068-K3070 PolarHBondContact O-N 3Š| ||
| 3069 | V | 26.4 | Very low | 27.5 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | trans | -70.7 | 105.7 | 164.3 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | S3067 | S3067-V3069 PolarHBondContact O-N 2.95Å; S3067-V3069 VanDerWaalsContact O-N 3.11Å | ||
| 3070 | K | 23.8 | Very low | 27 | Very low | 191 Ų | 191 | 132 Ų | 132 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -98.7 | 110.7 | 163.1 | -85.8 | -171.7 | 174.9 | -176 | 0 | 108.8 | S3068 | S3068-K3070 PolarHBondContact O-N 3Š| ||
| 3071 | N | 24 | Very low | 27.2 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -55.6 | 132.3 | 159.3 | -70.6 | -26.7 | 0 | 0 | 0 | 109.5 | ||||
| 3072 | E | 24.4 | Very low | 27.1 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -151.4 | 124.4 | 143.3 | -115.3 | 173.9 | -160.6 | 0 | 0 | 109.6 | ||||
| 3073 | D | 23.9 | Very low | 26.9 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -58 | 142.5 | 179.9 | -62.1 | -65 | 0 | 0 | 0 | 112.9 | ||||
| 3074 | K | 25.4 | Very low | 27.1 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | -168.3 | 148.3 | 120.4 | -108.4 | -177.8 | 173.8 | 177.3 | 0 | 112.9 | |||||
| 3075 | P | 42.4 | Very low | 26.8 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | trans | -89.7 | 168.5 | -165.4 | 38.9 | -34.3 | 0 | 0 | 0 | 111.6 | ||||
| 3076 | I | 27.8 | Very low | 26.7 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 179.2 | 119.6 | 132 | -89.6 | 152.4 | 0 | 0 | 0 | 109.2 | ||||
| 3077 | D | 26.8 | Very low | 26.5 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 65.3 | 108.9 | 143.6 | -56.5 | -10 | 0 | 0 | 0 | 122.6 | ||||
| 3078 | D | 25 | Very low | 26.3 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | 45.3 | 105 | 119.9 | -71.4 | -16.9 | 0 | 0 | 0 | 119 | |||||
| 3079 | H | 31.2 | Very low | 26.3 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | -168.9 | 105 | 118 | -107.8 | -58.3 | 0 | 0 | 0 | 111.6 | |||||
| 3080 | F | 22.8 | Very low | 26.1 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -65 | 138.5 | 150.6 | -92.7 | -95.8 | 0 | 0 | 0 | 108.5 | P3082 | F3080-P3082 HydrophobicContact CD1-CG 4.47Š| ||
| 3081 | P | 32.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | -140.7 | 142.5 | 98.6 | 33.9 | -18.8 | 0 | 0 | 0 | 113.8 | |||||
| 3082 | P | 30.2 | Very low | 26.2 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 62% | 0.623 | 80% | 0.795 | S | S | * | * | trans | -94.7 | 174.1 | -179.1 | 38.5 | -32.3 | 0 | 0 | 0 | 112.3 | F3080 | F3080-P3082 HydrophobicContact CD1-CG 4.47Š| ||
| 3083 | S | 22.8 | Very low | 26.4 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 83.2 | 111.2 | 159.5 | 77.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3084 | S | 27.5 | Very low | 26.3 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | -175.8 | 115 | 105.1 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3085 | T | 21.3 | Very low | 26.2 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -45.8 | 128.3 | 159.6 | -43.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3086 | S | 25.6 | Very low | 25.4 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -153.1 | 95.5 | 153.2 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3087 | T | 20.9 | Very low | 24.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -47.2 | 132.9 | 153.3 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3088 | Q | 23.6 | Very low | 24.8 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -166.5 | 121.8 | 141.8 | -110.4 | 171.8 | 40 | 0 | 0 | 113.7 | ||||
| 3089 | A | 24.3 | Very low | 24.6 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | 60.8 | 99.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 3090 | V | 22.3 | Very low | 24.3 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | 50 | 96.4 | 83.5 | -173.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 3091 | N | 30 | Very low | 24.1 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | -131.6 | 113.4 | 156.2 | -100.8 | -18.3 | 0 | 0 | 0 | 109.9 | ||||
| 3092 | K | 20.5 | Very low | 23.7 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -85.7 | 131.3 | 171 | -81.7 | 175.2 | 169.9 | 176.2 | 0 | 109.5 | ||||
| 3093 | T | 28.9 | Very low | 23 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -159.5 | 96.4 | 151.5 | 47.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 3094 | S | 21.4 | Very low | 22.9 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | 57.9 | 114.3 | 89.7 | 73.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 3095 | G | 21.8 | Very low | 22.7 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | 131.8 | 113.8 | 136.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 3096 | K | 26.1 | Very low | 22.7 | Very low | 210 Ų | 210 | 143 Ų | 143 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | trans | 86.2 | 104.3 | 142.5 | -91.1 | 172.8 | 173.3 | 175 | 0 | 120.7 | ||||
| 3097 | S | 18.2 | Very low | 22.5 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -50.7 | 137.6 | 148.3 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3098 | G | 24.9 | Very low | 22.7 | Very low | 76 Ų | 76 | 142.9 Ų | 142.9 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | -153.5 | 107.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3099 | T | 21.1 | Very low | 22.5 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | trans | -67 | 134.8 | 170.7 | 41.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3100 | T | 23.6 | Very low | 22.7 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -171.7 | 127 | 130.8 | 12.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3101 | E | 19.5 | Very low | 22.6 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -68.5 | 140 | 166.3 | -62.1 | 168.9 | 150.9 | 0 | 0 | 110.3 | ||||
| 3102 | S | 23 | Very low | 22.6 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -143.4 | 100.8 | 156.9 | 52.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 3103 | W | 16.9 | Very low | 22.5 | Very low | 240 Ų | 240 | 137.4 Ų | 137.4 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -80.2 | 149.8 | 167.3 | -95.8 | -10.5 | 0 | 0 | 0 | 110.9 | ||||
| 3104 | E | 19.7 | Very low | 22.4 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | trans | 71.2 | 111.9 | 158.1 | -66.2 | 172.9 | -177.6 | 0 | 0 | 118.7 | ||||
| 3105 | N | 23.4 | Very low | 22.4 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | -169.3 | 121.7 | 108.3 | -129.7 | -13.5 | 0 | 0 | 0 | 114.3 | |||||
| 3106 | S | 21.4 | Very low | 22.7 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | 36.8 | 120.9 | 131.4 | -51.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 3107 | G | 20.9 | Very low | 22.5 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | 84 | 110.1 | 115.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 3108 | N | 25.9 | Very low | 22.7 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -146.7 | 112.8 | 148.6 | -130.3 | 30.1 | 0 | 0 | 0 | 111 | ||||
| 3109 | M | 20 | Very low | 22.8 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -73.9 | 144.7 | 165.4 | -61.4 | -178.2 | 92.7 | 0 | 0 | 109.1 | ||||
| 3110 | S | 27.8 | Very low | 22.9 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -151.9 | 108.5 | 158.8 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3111 | S | 20.8 | Very low | 23.1 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -65.4 | 148 | 168.4 | 42.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3112 | S | 28.3 | Very low | 23.2 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -166.4 | 127.2 | 136 | 45.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 3113 | S | 20.3 | Very low | 23.3 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -68.5 | 149 | 171.4 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3114 | A | 26.4 | Very low | 23.6 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -165.5 | 121.2 | 138.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 3115 | A | 21.2 | Very low | 23.6 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -80 | 142.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3116 | V | 28.4 | Very low | 23.5 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -146.2 | 127.2 | 152.6 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3117 | S | 21.3 | Very low | 23.5 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 165.2 | -178.2 | -47.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3118 | D | 22.3 | Very low | 23.5 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | 57.4 | 116.1 | 146.1 | -58.3 | -26 | 0 | 0 | 0 | 120.5 | ||||
| 3119 | N | 26.5 | Very low | 23.3 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | -175.7 | 141 | 104.7 | -102.1 | -31.9 | 0 | 0 | 0 | 114.4 | |||||
| 3120 | N | 24 | Very low | 23.4 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -60.8 | 143.9 | 167.7 | -65.5 | -40.3 | 0 | 0 | 0 | 112.5 | ||||
| 3121 | N | 27.6 | Very low | 23.1 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | -168 | 123.3 | 128 | -106.1 | -10.2 | 0 | 0 | 0 | 112 | |||||
| 3122 | E | 21.1 | Very low | 23.2 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -60.1 | 146.3 | 162 | -57.3 | 172.4 | 138.8 | 0 | 0 | 110.5 | ||||
| 3123 | T | 26.1 | Very low | 23 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 153.3 | 118.5 | 124.8 | 33 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 3124 | S | 22 | Very low | 23.1 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 47.1 | 118.9 | 138.7 | 27.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 3125 | L | 20.5 | Very low | 22.9 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | 53.7 | 111.3 | 123.5 | -65.2 | 162 | 0 | 0 | 0 | 118.8 | |||||
| 3126 | S | 21.9 | Very low | 23 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 136.6 | 133.2 | 114.5 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 3127 | S | 21.3 | Very low | 22.6 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 75.1 | 94.3 | 145.3 | -52.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3128 | A | 20.7 | Very low | 22.7 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | 30.1 | 114.2 | 123.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 3129 | S | 21.4 | Very low | 22.7 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 174.8 | 117.5 | 112.5 | 40.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 3130 | N | 21.7 | Very low | 22.6 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 42.9 | 99.4 | 139.6 | -64.3 | -4 | 0 | 0 | 0 | 120.8 | ||||
| 3131 | T | 22.2 | Very low | 22.6 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | 34.8 | 118.5 | 117.8 | 48.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 3132 | T | 22.9 | Very low | 22.4 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -135.5 | 126.8 | 136.4 | -45.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3133 | T | 22.7 | Very low | 22.4 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -65.1 | 134.8 | -173.5 | -51.2 | 0 | 0 | 0 | 0 | 113.6 | R3135 | T3133-R3135 HydrophobicContact CG2-CB 4.12Š| ||
| 3134 | S | 22.2 | Very low | 22.3 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -125.8 | 100.9 | 154.4 | -63 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3135 | R | 22.4 | Very low | 22.4 | Very low | 215 Ų | 215 | 137.6 Ų | 137.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -87 | 119.6 | -176.8 | -178 | -171.3 | -84.4 | -176.5 | -6.2 | 108.5 | T3133 | T3133-R3135 HydrophobicContact CG2-CB 4.12Š| ||
| 3136 | T | 24 | Very low | 22.5 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -124.6 | 108.1 | 163.1 | -27.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3137 | T | 20.9 | Very low | 22.8 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -69.3 | 124.1 | 174.1 | 36.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3138 | M | 22.9 | Very low | 23.1 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -138.4 | 128.7 | 163 | -79.9 | -82.5 | -175.8 | 0 | 0 | 109 | ||||
| 3139 | N | 22 | Very low | 24 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -60.4 | 136.6 | -169.8 | -70.8 | -20.7 | 0 | 0 | 0 | 114.2 | ||||
| 3140 | I | 25.1 | Very low | 24.7 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 82% | 0.821 | 74% | 0.741 | S | S | * | * | trans | -104.5 | 131.5 | 168.6 | -60.2 | 174 | 0 | 0 | 0 | 108.1 | ||||
| 3141 | P | 23.6 | Very low | 25.7 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | trans | -82.8 | 141.4 | -173.4 | 32 | -32.2 | 0 | 0 | 0 | 112.9 | S3143 | P3141-S3143 PolarHBondContact O-N 3.01Š| ||
| 3142 | N | 22.6 | Very low | 26.8 | Very low | 173 Ų | 173 | 113.7 Ų | 113.7 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | trans | -59.8 | 123.4 | 174.5 | -70.9 | -28.5 | 0 | 0 | 0 | 111.9 | ||||
| 3143 | S | 22.3 | Very low | 27.9 | Very low | 108 Ų | 108 | 109.7 Ų | 109.7 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | -137.6 | 101.1 | 171.7 | 162 | 0 | 0 | 0 | 0 | 110.3 | P3141 | P3141-S3143 PolarHBondContact O-N 3.01Š| ||
| 3144 | V | 24.2 | Very low | 29.3 | Very low | 139 Ų | 139 | 106 Ų | 106 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | trans | 55.5 | 97 | 152 | -166.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3145 | V | 23.1 | Very low | 30.7 | Very low | 143 Ų | 143 | 101.8 Ų | 101.8 | 87% | 0.867 | 62% | 0.618 | S | S | * | * | trans | -87.8 | 116.4 | 164.8 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3146 | S | 23.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 92.5 Ų | 92.5 | 85% | 0.846 | 58% | 0.584 | S | S | * | * | trans | 177.6 | 121.6 | 150.3 | -168.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 3147 | G | 26.9 | Very low | 33.9 | Very low | 46 Ų | 46 | 87.2 Ų | 87.2 | 47% | 0.474 | 55% | 0.551 | S | S | . | * | trans | 172.5 | -19 | 171.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | S3149 | G3147-S3149 PolarHBondContact O-N 3.14Å; G3147-S3149 VanDerWaalsContact O-N 3.15Å | ||
| 3148 | G | 29 | Very low | 35.4 | Very low | 43 Ų | 43 | 83.5 Ų | 83.5 | 44% | 0.443 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -30.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | G3150 | G3148-G3150 PolarHBondContact O-N 2.88Š|
| 3149 | S | 38.1 | Very low | 37 | Very low | 50 Ų | 50 | 75.7 Ų | 75.7 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.2 | -19.6 | -169.1 | 69.2 | 0 | 0 | 0 | 0 | 115.6 | G3147 | G3147-S3149 PolarHBondContact O-N 3.14Å; G3147-S3149 VanDerWaalsContact O-N 3.15Å |
| 3150 | G | 37.6 | Very low | 38.7 | Very low | 40 Ų | 40 | 68 Ų | 68 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.6 | -34.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G3148 A3154 | G3148-G3150 PolarHBondContact O-N 2.88Å; G3150-A3154 PolarHBondContact O-N 3.01Å; G3150-A3154 VanDerWaalsContact O-N 3.17Å |
| 3151 | A | 40.9 | Very low | 40.2 | Very low | 21 Ų | 21 | 63.1 Ų | 63.1 | 17% | 0.174 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.7 | -44.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2996 P2997 L3153 A3154 A3155 | E2996-A3151 HydrophobicContact CB-CB 4.31Å; P2997-A3151 HydrophobicContact CG-CB 4.48Å; A3151-L3153 PolarHBondContact O-N 3.37Å; A3151-A3154 PolarHBondContact O-N 2.9Å; A3151-A3155 PolarHBondContact O-N 3.46Å |
| 3152 | A | 46.3 | Very low | 41.6 | Very low | 42 Ų | 42 | 59.2 Ų | 59.2 | 35% | 0.347 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A3155 L3156 | A3152-A3155 PolarHBondContact O-N 3.32Å; A3152-L3156 WeakPolarHBondContact O-CG 3.47Å; A3152-L3156 PolarHBondContact O-N 3.32Å |
| 3153 | L | 46.6 | Very low | 43 | Very low | 62 Ų | 62 | 51.5 Ų | 51.5 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.3 | -80.4 | -179.7 | 0 | 0 | 0 | 112.2 | V2519 N2523 A3151 L3156 L3157 | V2519-L3153 HydrophobicContact CG1-CD2 4.02Å; N2523-L3153 WeakPolarHBondContact ND2-CD1 3.22Å; A3151-L3153 PolarHBondContact O-N 3.37Å; L3153-L3156 PolarHBondContact O-N 3.29Å; L3153-L3157 WeakPolarHBondContact O-CB 3.25Å; L3153-L3157 PolarHBondContact O-N 3.34Å |
| 3154 | A | 52 | Low | 44.5 | Very low | 33 Ų | 33 | 47.2 Ų | 47.2 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G3150 A3151 L3156 L3157 W3158 | G3150-A3154 PolarHBondContact O-N 3.01Å; G3150-A3154 VanDerWaalsContact O-N 3.17Å; A3151-A3154 PolarHBondContact O-N 2.9Å; A3154-L3156 VanDerWaalsContact C-N 3.35Å; A3154-L3156 PolarHBondContact O-N 2.88Å; A3154-L3157 WeakPolarHBondContact O-CB 3.45Å; A3154-L3157 PolarHBondContact O-N 3.44Å; A3154-L3157 VanDerWaalsContact O-N 3.14Å; A3154-W3158 PolarHBondContact O-N 2.91Å |
| 3155 | A | 52 | Low | 45.9 | Very low | 33 Ų | 33 | 44.5 Ų | 44.5 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L3058 A3151 A3152 W3158 G3159 | L3058-A3155 HydrophobicContact CD2-CB 3.83Å; A3151-A3155 PolarHBondContact O-N 3.46Å; A3152-A3155 PolarHBondContact O-N 3.32Å; A3155-W3158 PolarHBondContact O-N 2.79Å; A3155-G3159 PolarHBondContact O-N 3.16Å |
| 3156 | L | 55.6 | Low | 46.9 | Very low | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 174.5 | -72 | 177.6 | 0 | 0 | 0 | 112.1 | R2540 L2541 A2544 L3058 A3152 L3153 A3154 W3158 G3159 V3160 | R2540-L3156 HydrophobicContact CB-CD1 4.12Å; L2541-L3156 HydrophobicContact CD2-CD2 3.72Å; A2544-L3156 HydrophobicContact CB-CB 4.33Å; L3058-L3156 HydrophobicContact CD1-CD2 4.28Å; A3152-L3156 WeakPolarHBondContact O-CG 3.47Å; A3152-L3156 PolarHBondContact O-N 3.32Å; L3153-L3156 PolarHBondContact O-N 3.29Å; A3154-L3156 VanDerWaalsContact C-N 3.35Å; A3154-L3156 PolarHBondContact O-N 2.88Å; L3156-W3158 VanDerWaalsContact C-N 3.31Å; L3156-W3158 PolarHBondContact O-N 3.09Å; L3156-G3159 PolarHBondContact O-N 3.26Å; L3156-V3160 VanDerWaalsContact O-CG2 3.29Å; L3156-V3160 WeakPolarHBondContact O-CG2 3.37Å; L3156-V3160 PolarHBondContact O-N 3.08Å |
| 3157 | L | 56.6 | Low | 47.8 | Very low | 22 Ų | 22 | 36.2 Ų | 36.2 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 176.5 | -166.2 | 91.2 | 0 | 0 | 0 | 111.7 | R2547 L3153 A3154 V3160 R3161 | R2547-L3157 HydrophobicContact CB-CD1 4.21Å; R2547-L3157 VanDerWaalsContact CD-CD1 3.42Å; R2547-L3157 HydrophobicContact CG-CD1 3.74Å; R2547-L3157 VanDerWaalsContact NE-CD1 3.34Å; L3153-L3157 WeakPolarHBondContact O-CB 3.25Å; L3153-L3157 PolarHBondContact O-N 3.34Å; A3154-L3157 WeakPolarHBondContact O-CB 3.45Å; A3154-L3157 PolarHBondContact O-N 3.44Å; A3154-L3157 VanDerWaalsContact O-N 3.14Å; L3157-V3160 PolarHBondContact O-N 3.16Å; L3157-R3161 WeakPolarHBondContact O-CG 3.37Å; L3157-R3161 PolarHBondContact O-N 3.2Å |
| 3158 | W | 52.6 | Low | 48.8 | Very low | 39 Ų | 39 | 36.7 Ų | 36.7 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 176.5 | -74.6 | 115 | 0 | 0 | 0 | 112.1 | A3154 A3155 L3156 V3160 R3161 A3162 E3180 | A3154-W3158 PolarHBondContact O-N 2.91Å; A3155-W3158 PolarHBondContact O-N 2.79Å; L3156-W3158 VanDerWaalsContact C-N 3.31Å; L3156-W3158 PolarHBondContact O-N 3.09Å; W3158-V3160 VanDerWaalsContact C-N 3.32Å; W3158-V3160 PolarHBondContact O-N 3.27Å; W3158-R3161 PolarHBondContact O-N 2.97Å; W3158-A3162 PolarHBondContact O-N 3.49Å; W3158-A3162 VanDerWaalsContact O-N 3.08Å; W3158-E3180 HydrophobicContact CH2-CB 4.18Å; W3158-E3180 HydrophobicContact CH2-CG 3.7Å; W3158-E3180 VanDerWaalsContact CH2-OE1 3.26Å; W3158-E3180 WeakPolarHBondContact CH2-OE1 3.25Å; W3158-E3180 HydrophobicContact CZ3-CB 4.04Å; W3158-E3180 VanDerWaalsContact CZ3-CD 3.46Å; W3158-E3180 HydrophobicContact CZ3-CG 4Å; W3158-E3180 VanDerWaalsContact CZ3-OE2 3.23Å; W3158-E3180 WeakPolarHBondContact CZ3-OE2 3.49Å |
| 3159 | G | 56.2 | Low | 49.7 | Very low | 15 Ų | 15 | 37.3 Ų | 37.3 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A3155 L3156 T3163 | A3155-G3159 PolarHBondContact O-N 3.16Å; L3156-G3159 PolarHBondContact O-N 3.26Å; G3159-T3163 WeakPolarHBondContact O-CG2 3.19Å; G3159-T3163 PolarHBondContact O-N 3.13Å; G3159-T3163 PolarHBondContact O-OG1 3.13Å |
| 3160 | V | 58.3 | Low | 50.1 | Low | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -53 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | L2432 A2544 R2545 L3156 L3157 W3158 A3162 T3163 Q3164 | L2432-V3160 HydrophobicContact CD2-CB 4.22Å; L2432-V3160 HydrophobicContact CD2-CG2 3.65Å; A2544-V3160 HydrophobicContact CB-CG2 3.82Å; R2545-V3160 HydrophobicContact CG-CG1 4.24Å; R2545-V3160 HydrophobicContact CG-CG2 3.8Å; L3156-V3160 VanDerWaalsContact O-CG2 3.29Å; L3156-V3160 WeakPolarHBondContact O-CG2 3.37Å; L3156-V3160 PolarHBondContact O-N 3.08Å; L3157-V3160 PolarHBondContact O-N 3.16Å; W3158-V3160 VanDerWaalsContact C-N 3.32Å; W3158-V3160 PolarHBondContact O-N 3.27Å; V3160-A3162 PolarHBondContact O-N 3.09Å; V3160-T3163 PolarHBondContact O-N 3.39Å; V3160-T3163 PolarHBondContact O-OG1 3.38Å; V3160-Q3164 PolarHBondContact O-N 2.82Å |
| 3161 | R | 57.1 | Low | 50.4 | Low | 59 Ų | 59 | 39.6 Ų | 39.6 | 22% | 0.223 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.2 | -39.7 | -177.2 | -79.1 | -177.4 | 176.7 | 174.2 | 2.1 | 111.9 | L3157 W3158 Q3164 | L3157-R3161 WeakPolarHBondContact O-CG 3.37Å; L3157-R3161 PolarHBondContact O-N 3.2Å; W3158-R3161 PolarHBondContact O-N 2.97Å; R3161-Q3164 PolarHBondContact O-N 3.04Å |
| 3162 | A | 52.7 | Low | 50.8 | Low | 32 Ų | 32 | 42 Ų | 42 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W3158 V3160 | W3158-A3162 PolarHBondContact O-N 3.49Å; W3158-A3162 VanDerWaalsContact O-N 3.08Å; V3160-A3162 PolarHBondContact O-N 3.09Å |
| 3163 | T | 51.1 | Low | 51 | Low | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.6 | -21.2 | -178.3 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | T2430 L2432 G3159 V3160 L3166 A3167 | T2430-T3163 HydrophobicContact CG2-CG2 3.99Å; L2432-T3163 HydrophobicContact CB-CG2 3.95Å; L2432-T3163 HydrophobicContact CD2-CG2 4.23Å; L2432-T3163 WeakPolarHBondContact CD2-OG1 3.4Å; G3159-T3163 WeakPolarHBondContact O-CG2 3.19Å; G3159-T3163 PolarHBondContact O-N 3.13Å; G3159-T3163 PolarHBondContact O-OG1 3.13Å; V3160-T3163 PolarHBondContact O-N 3.39Å; V3160-T3163 PolarHBondContact O-OG1 3.38Å; T3163-L3166 PolarHBondContact O-N 3.21Å; T3163-A3167 PolarHBondContact O-N 2.84Å |
| 3164 | Q | 53.7 | Low | 51.6 | Low | 18 Ų | 18 | 42.5 Ų | 42.5 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.3 | -35.7 | -176.1 | -175 | 174.2 | -19.3 | 0 | 0 | 112.9 | G2548 V3160 R3161 L3166 A3167 T3168 | G2548-Q3164 VanDerWaalsContact CA-OE1 3.27Å; G2548-Q3164 VanDerWaalsContact O-CD 3.27Å; G2548-Q3164 PolarHBondContact O-NE2 3.04Å; G2548-Q3164 PolarHBondContact O-OE1 2.99Å; V3160-Q3164 PolarHBondContact O-N 2.82Å; R3161-Q3164 PolarHBondContact O-N 3.04Å; Q3164-L3166 VanDerWaalsContact C-N 3.29Å; Q3164-L3166 PolarHBondContact O-N 2.9Å; Q3164-A3167 PolarHBondContact O-N 2.94Å; Q3164-A3167 VanDerWaalsContact O-N 3.08Å; Q3164-T3168 PolarHBondContact O-N 3.2Å; Q3164-T3168 PolarHBondContact O-OG1 3.29Å |
| 3165 | Q | 53.3 | Low | 52.3 | Low | 81 Ų | 81 | 42.8 Ų | 42.8 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 175.7 | -69.6 | -173.7 | -54.7 | 0 | 0 | 111.4 | A3167 T3168 F3169 D3173 | Q3165-A3167 VanDerWaalsContact C-N 3.3Å; Q3165-A3167 PolarHBondContact O-N 2.84Å; Q3165-T3168 PolarHBondContact O-N 3.03Å; Q3165-F3169 WeakPolarHBondContact O-CD2 3.4Å; Q3165-F3169 PolarHBondContact O-N 3.2Å; Q3165-F3169 VanDerWaalsContact O-N 3.11Å; Q3165-D3173 PolarHBondContact OE1-OD2 3.17Å |
| 3166 | L | 44.5 | Very low | 53.3 | Low | 51 Ų | 51 | 44.9 Ų | 44.9 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 174.5 | 172.1 | 62.5 | 0 | 0 | 0 | 111.6 | T2430 T3163 Q3164 G3170 L3171 A3172 | T2430-L3166 HydrophobicContact CG2-CD2 3.5Å; T2430-L3166 VanDerWaalsContact CG2-CD2 3.5Å; T3163-L3166 PolarHBondContact O-N 3.21Å; Q3164-L3166 VanDerWaalsContact C-N 3.29Å; Q3164-L3166 PolarHBondContact O-N 2.9Å; L3166-G3170 WeakPolarHBondContact O-CA 3.33Å; L3166-G3170 PolarHBondContact O-N 3.34Å; L3166-L3171 VanDerWaalsContact CD1-C 3.41Å; L3166-A3172 HydrophobicContact CD1-CB 3.96Å; L3166-A3172 VanDerWaalsContact CD1-N 3.25Å |
| 3167 | A | 43.4 | Very low | 54.6 | Low | 40 Ų | 40 | 44 Ų | 44 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.8 | -34.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | P2425 T3163 Q3164 Q3165 | P2425-A3167 HydrophobicContact CB-CB 3.3Å; P2425-A3167 HydrophobicContact CG-CB 4.02Å; T3163-A3167 PolarHBondContact O-N 2.84Å; Q3164-A3167 PolarHBondContact O-N 2.94Å; Q3164-A3167 VanDerWaalsContact O-N 3.08Å; Q3165-A3167 VanDerWaalsContact C-N 3.3Å; Q3165-A3167 PolarHBondContact O-N 2.84Å |
| 3168 | T | 47.1 | Very low | 55.8 | Low | 56 Ų | 56 | 44.5 Ų | 44.5 | 34% | 0.344 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.1 | -45.7 | 177.5 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | E2847 Q3164 Q3165 | E2847-T3168 HydrophobicContact CG-CG2 3.75Å; E2847-T3168 WeakPolarHBondContact OE1-CG2 3.46Å; E2847-T3168 PolarHBondContact OE1-OG1 3.11Å; Q3164-T3168 PolarHBondContact O-N 3.2Å; Q3164-T3168 PolarHBondContact O-OG1 3.29Å; Q3165-T3168 PolarHBondContact O-N 3.03Å |
| 3169 | F | 48.6 | Very low | 57.4 | Low | 56 Ų | 56 | 44.2 Ų | 44.2 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -104.6 | -12.4 | -170.8 | -61.8 | -71.5 | 0 | 0 | 0 | 114.6 | Y2899 Q3165 L3171 | Y2899-F3169 AromaticContact CD1-CD1 3.64Å; Y2899-F3169 HydrophobicContact CD1-CD1 3.64Å; Y2899-F3169 AromaticContact CD1-CE1 3.85Å; Y2899-F3169 HydrophobicContact CD1-CE1 3.85Å; Y2899-F3169 HydrophobicContact CD1-CG 4.21Å; Y2899-F3169 HydrophobicContact CD2-CB 3.73Å; Y2899-F3169 AromaticContact CD2-CD1 3.78Å; Y2899-F3169 HydrophobicContact CD2-CD1 3.78Å; Y2899-F3169 AromaticContact CD2-CD2 3.73Å; Y2899-F3169 HydrophobicContact CD2-CD2 3.73Å; Y2899-F3169 HydrophobicContact CD2-CE1 4.33Å; Y2899-F3169 HydrophobicContact CD2-CE2 4.29Å; Y2899-F3169 AromaticContact CD2-CG 3.46Å; Y2899-F3169 HydrophobicContact CD2-CG 3.46Å; Y2899-F3169 VanDerWaalsContact CD2-CG 3.46Å; Y2899-F3169 HydrophobicContact CE1-CB 4.42Å; Y2899-F3169 AromaticContact CE1-CD1 3.77Å; Y2899-F3169 HydrophobicContact CE1-CD1 3.77Å; Y2899-F3169 HydrophobicContact CE1-CE1 4.39Å; Y2899-F3169 HydrophobicContact CE1-CG 4.28Å; Y2899-F3169 HydrophobicContact CE2-CB 3.29Å; Y2899-F3169 AromaticContact CE2-CD1 3.93Å; Y2899-F3169 HydrophobicContact CE2-CD1 3.93Å; Y2899-F3169 HydrophobicContact CE2-CD2 4.23Å; Y2899-F3169 AromaticContact CE2-CG 3.57Å; Y2899-F3169 HydrophobicContact CE2-CG 3.57Å; Y2899-F3169 HydrophobicContact CG-CB 4.45Å; Y2899-F3169 AromaticContact CG-CD1 3.62Å; Y2899-F3169 HydrophobicContact CG-CD1 3.62Å; Y2899-F3169 HydrophobicContact CG-CD2 4.09Å; Y2899-F3169 AromaticContact CG-CE1 3.79Å; Y2899-F3169 HydrophobicContact CG-CE1 3.79Å; Y2899-F3169 HydrophobicContact CG-CE2 4.24Å; Y2899-F3169 AromaticContact CG-CG 3.79Å; Y2899-F3169 HydrophobicContact CG-CG 3.79Å; Y2899-F3169 HydrophobicContact CG-CZ 4.1Å; Y2899-F3169 AromaticContact CZ-CD1 3.9Å; Y2899-F3169 AromaticContact CZ-CG 3.96Å; Q3165-F3169 WeakPolarHBondContact O-CD2 3.4Å; Q3165-F3169 PolarHBondContact O-N 3.2Å; Q3165-F3169 VanDerWaalsContact O-N 3.11Å; F3169-L3171 PolarHBondContact O-N 3.35Å |
| 3170 | G | 46.8 | Very low | 58.8 | Low | 58 Ų | 58 | 46 Ų | 46 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 73 | 11 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L3166 | L3166-G3170 WeakPolarHBondContact O-CA 3.33Å; L3166-G3170 PolarHBondContact O-N 3.34Å |
| 3171 | L | 42.9 | Very low | 60.3 | Low | 80 Ų | 80 | 46.4 Ų | 46.4 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | trans | -125.5 | 130.4 | 176.9 | -65.6 | 178.2 | 0 | 0 | 0 | 109.2 | Y2899 L3166 F3169 D3173 | Y2899-L3171 HydrophobicContact CE2-CB 4.49Å; Y2899-L3171 HydrophobicContact CE2-CD1 4.18Å; Y2899-L3171 VanDerWaalsContact OH-CD1 3.25Å; Y2899-L3171 WeakPolarHBondContact OH-CD1 3.46Å; L3166-L3171 VanDerWaalsContact CD1-C 3.41Å; F3169-L3171 PolarHBondContact O-N 3.35Å; L3171-D3173 PolarHBondContact O-N 3.5Å | ||
| 3172 | A | 48.4 | Very low | 61.9 | Low | 72 Ų | 72 | 43.6 Ų | 43.6 | 60% | 0.595 | 26% | 0.264 | S | S | * | . | trans | -73.5 | 125.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107 | L3166 S3174 | L3166-A3172 HydrophobicContact CD1-CB 3.96Å; L3166-A3172 VanDerWaalsContact CD1-N 3.25Å; A3172-S3174 PolarHBondContact O-N 3.09Å; A3172-S3174 VanDerWaalsContact O-N 3.08Å | ||
| 3173 | D | 52.4 | Low | 63.8 | Low | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | trans | -61.3 | 115 | 164.5 | -78.2 | 1.5 | 0 | 0 | 0 | 106.6 | Q2902 Q3165 L3171 M3175 | Q2902-D3173 VanDerWaalsContact NE2-CG 3.33Å; Q2902-D3173 PolarHBondContact NE2-OD2 3.47Å; Q2902-D3173 PolarHBondContact OE1-OD2 2.9Å; Q3165-D3173 PolarHBondContact OE1-OD2 3.17Å; L3171-D3173 PolarHBondContact O-N 3.5Å; D3173-M3175 PolarHBondContact O-N 3.4Å | ||
| 3174 | S | 57.3 | Low | 65.9 | Low | 87 Ų | 87 | 41.8 Ų | 41.8 | 61% | 0.608 | 25% | 0.25 | S | C | * | . | trans | -68.4 | 22.6 | -175.6 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | A3172 | A3172-S3174 PolarHBondContact O-N 3.09Å; A3172-S3174 VanDerWaalsContact O-N 3.08Å | ||
| 3175 | M | 66.8 | Low | 67.8 | Low | 39 Ų | 39 | 41 Ų | 41 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | trans | -92.7 | 126.1 | -177.8 | -59.2 | -70.8 | 92.7 | 0 | 0 | 109.1 | R3024 D3173 Y3177 E3228 | R3024-M3175 WeakPolarHBondContact CD-O 3.35Å; D3173-M3175 PolarHBondContact O-N 3.4Å; M3175-Y3177 VanDerWaalsContact C-N 3.34Å; M3175-E3228 VanDerWaalsContact CA-OE1 3.23Å; M3175-E3228 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 3176 | H | 74.3 | Confident | 69.9 | Low | 77 Ų | 77 | 37.5 Ų | 37.5 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | trans | -84 | -12.4 | -176.2 | -58.1 | 95.4 | 0 | 0 | 0 | 113.5 | R3023 R3024 D3027 E3228 | R3023-H3176 CarbonylContact C-O 3.34Å; R3023-H3176 WeakPolarHBondContact CA-O 3.4Å; R3024-H3176 PolarHBondContact N-O 2.8Å; D3027-H3176 IonicContact OD1-CD2 3.42Å; D3027-H3176 WeakPolarHBondContact OD2-CA 3.34Å; D3027-H3176 WeakPolarHBondContact OD2-CB 3.5Å; D3027-H3176 IonicContact OD2-CD2 2.78Å; D3027-H3176 PolarHBondContact OD2-CD2 2.91Å; D3027-H3176 IonicContact OD2-CG 2.69Å; H3176-E3228 IonicContact CE1-OE2 3.12Å; H3176-E3228 IonicContact CG-OE2 3.04Å; H3176-E3228 PolarHBondContact N-OE1 3.17Å; H3176-E3228 IonicContact ND1-OE2 2.94Å; H3176-E3228 PolarHBondContact ND1-OE2 3.32Å | ||
| 3177 | Y | 82.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -115.6 | 149.7 | -173.9 | -64.7 | -86.7 | 0 | 0 | 0 | 113 | L3022 R3023 R3024 M3175 I3179 M3182 L3225 D3226 E3228 L3232 | L3022-Y3177 HydrophobicContact CB-CD1 4.17Å; L3022-Y3177 WeakPolarHBondContact O-CA 3.32Å; R3023-Y3177 HydrophobicContact CG-CD1 4.04Å; R3023-Y3177 HydrophobicContact CG-CE1 3.65Å; R3024-Y3177 PolarHBondContact NE-O 3.31Å; M3175-Y3177 VanDerWaalsContact C-N 3.34Å; Y3177-I3179 PolarHBondContact O-N 3.33Å; Y3177-M3182 HydrophobicContact CD1-CE 4.15Å; Y3177-M3182 HydrophobicContact CG-CE 4.49Å; Y3177-L3225 HydrophobicContact CD1-CD2 4.17Å; Y3177-L3225 HydrophobicContact CE1-CD2 3.44Å; Y3177-L3225 VanDerWaalsContact CE1-CD2 3.44Å; Y3177-D3226 WeakPolarHBondContact CE2-OD1 3.16Å; Y3177-D3226 WeakPolarHBondContact CE2-OD2 3.26Å; Y3177-D3226 PolarHBondContact OH-OD1 3.45Å; Y3177-D3226 PolarHBondContact OH-OD2 3.13Å; Y3177-E3228 HydrophobicContact CD2-CG 4.3Å; Y3177-E3228 HydrophobicContact CE2-CB 4.41Å; Y3177-L3232 HydrophobicContact CD2-CD1 4.3Å; Y3177-L3232 HydrophobicContact CG-CD1 4.39Å |
| 3178 | N | 81.6 | Confident | 74.9 | Confident | 32 Ų | 32 | 34.6 Ų | 34.6 | 17% | 0.171 | 21% | 0.208 | C | C | . | . | trans | -83.4 | 101.5 | 170.5 | -174.6 | -21.1 | 0 | 0 | 0 | 109.8 | L3022 R3024 E3180 L3181 M3182 | L3022-N3178 PolarHBondContact O-N 3.22Å; R3024-N3178 HydrophobicContact CG-CB 4.48Å; N3178-E3180 PolarHBondContact OD1-N 2.96Å; N3178-L3181 HydrophobicContact CB-CB 3.92Å; N3178-L3181 PolarHBondContact O-N 2.91Å; N3178-L3181 PolarHBondContact OD1-N 3.3Å; N3178-L3181 VanDerWaalsContact OD1-N 3.11Å; N3178-M3182 WeakPolarHBondContact O-CB 3.14Å; N3178-M3182 PolarHBondContact O-N 3.32Å | ||
| 3179 | I | 85.5 | Confident | 77.3 | Confident | 34 Ų | 34 | 32.1 Ų | 32.1 | 17% | 0.174 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | -177.6 | -57.1 | 174.3 | 0 | 0 | 0 | 111.5 | Y3177 L3181 M3182 T3183 L3232 | Y3177-I3179 PolarHBondContact O-N 3.33Å; I3179-L3181 VanDerWaalsContact C-N 3.33Å; I3179-L3181 PolarHBondContact O-N 3.3Å; I3179-M3182 WeakPolarHBondContact O-CB 3.25Å; I3179-M3182 PolarHBondContact O-N 3.5Å; I3179-T3183 PolarHBondContact O-N 2.83Å; I3179-T3183 PolarHBondContact O-OG1 3.47Å; I3179-L3232 HydrophobicContact CD1-CD2 4.07Å; I3179-L3232 HydrophobicContact CG1-CD1 4.2Å; I3179-L3232 HydrophobicContact CG1-CD2 4.1Å |
| 3180 | E | 87.2 | Confident | 79.6 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | -179.4 | -170.8 | 180 | 165.3 | 0 | 0 | 111 | W3158 N3178 T3183 N3184 | W3158-E3180 HydrophobicContact CH2-CB 4.18Å; W3158-E3180 HydrophobicContact CH2-CG 3.7Å; W3158-E3180 VanDerWaalsContact CH2-OE1 3.26Å; W3158-E3180 WeakPolarHBondContact CH2-OE1 3.25Å; W3158-E3180 HydrophobicContact CZ3-CB 4.04Å; W3158-E3180 VanDerWaalsContact CZ3-CD 3.46Å; W3158-E3180 HydrophobicContact CZ3-CG 4Å; W3158-E3180 VanDerWaalsContact CZ3-OE2 3.23Å; W3158-E3180 WeakPolarHBondContact CZ3-OE2 3.49Å; N3178-E3180 PolarHBondContact OD1-N 2.96Å; E3180-T3183 PolarHBondContact O-N 3.13Å; E3180-N3184 PolarHBondContact O-N 2.76Å; E3180-N3184 PolarHBondContact O-ND2 3.16Å |
| 3181 | L | 88.3 | Confident | 81.9 | Confident | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.073 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 175.1 | -173.9 | 62 | 0 | 0 | 0 | 111.6 | L2994 P2995 M2998 M3021 L3022 N3178 I3179 N3184 L3185 | L2994-L3181 HydrophobicContact CD2-CD1 3.84Å; P2995-L3181 HydrophobicContact CG-CD1 4.14Å; M2998-L3181 HydrophobicContact SD-CD1 3.93Å; M2998-L3181 HydrophobicContact SD-CD2 4.44Å; M2998-L3181 HydrophobicContact SD-CG 4.42Å; M3021-L3181 WeakPolarHBondContact O-CD2 3.5Å; L3022-L3181 HydrophobicContact CD2-CB 4.45Å; L3022-L3181 HydrophobicContact CD2-CD2 4.22Å; L3022-L3181 HydrophobicContact CD2-CG 4.01Å; N3178-L3181 HydrophobicContact CB-CB 3.92Å; N3178-L3181 PolarHBondContact O-N 2.91Å; N3178-L3181 PolarHBondContact OD1-N 3.3Å; N3178-L3181 VanDerWaalsContact OD1-N 3.11Å; I3179-L3181 VanDerWaalsContact C-N 3.33Å; I3179-L3181 PolarHBondContact O-N 3.3Å; L3181-N3184 PolarHBondContact O-N 3.2Å; L3181-L3185 WeakPolarHBondContact O-CB 3.47Å; L3181-L3185 PolarHBondContact O-N 3.41Å |
| 3182 | M | 91.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 175.8 | -170 | 78.6 | 72 | 0 | 0 | 111.7 | L3022 Y3177 N3178 I3179 L3185 T3186 L3225 L3233 | L3022-M3182 HydrophobicContact CB-CE 4.11Å; L3022-M3182 HydrophobicContact CD1-CE 3.78Å; L3022-M3182 HydrophobicContact CD1-SD 3.63Å; L3022-M3182 HydrophobicContact CD2-CB 4.22Å; L3022-M3182 HydrophobicContact CD2-CE 4.18Å; L3022-M3182 HydrophobicContact CD2-SD 3.96Å; L3022-M3182 HydrophobicContact CG-CE 4.25Å; L3022-M3182 HydrophobicContact CG-SD 4.34Å; Y3177-M3182 HydrophobicContact CD1-CE 4.15Å; Y3177-M3182 HydrophobicContact CG-CE 4.49Å; N3178-M3182 WeakPolarHBondContact O-CB 3.14Å; N3178-M3182 PolarHBondContact O-N 3.32Å; I3179-M3182 WeakPolarHBondContact O-CB 3.25Å; I3179-M3182 PolarHBondContact O-N 3.5Å; M3182-L3185 PolarHBondContact O-N 2.91Å; M3182-T3186 VanDerWaalsContact O-CB 3.31Å; M3182-T3186 WeakPolarHBondContact O-CB 3.41Å; M3182-T3186 PolarHBondContact O-N 2.9Å; M3182-T3186 PolarHBondContact O-OG1 2.74Å; M3182-L3225 HydrophobicContact CE-CD1 4.19Å; M3182-L3225 HydrophobicContact CE-CD2 4.4Å; M3182-L3233 HydrophobicContact CG-CD1 4.34Å; M3182-L3233 HydrophobicContact SD-CB 4.16Å; M3182-L3233 HydrophobicContact SD-CD1 3.9Å |
| 3183 | T | 93 | Very high | 86.6 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -48.6 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | D2941 I3179 E3180 L3185 T3186 L3187 C3236 | D2941-T3183 WeakPolarHBondContact OD1-CB 3.35Å; D2941-T3183 WeakPolarHBondContact OD1-CG2 3.27Å; D2941-T3183 PolarHBondContact OD1-OG1 3.31Å; I3179-T3183 PolarHBondContact O-N 2.83Å; I3179-T3183 PolarHBondContact O-OG1 3.47Å; E3180-T3183 PolarHBondContact O-N 3.13Å; T3183-L3185 PolarHBondContact O-N 3.47Å; T3183-T3186 PolarHBondContact O-N 3.49Å; T3183-L3187 HydrophobicContact CG2-CD1 3.96Å; T3183-L3187 WeakPolarHBondContact O-CB 3.43Å; T3183-L3187 WeakPolarHBondContact O-CG 3.45Å; T3183-L3187 PolarHBondContact O-N 3.17Å; T3183-C3236 PolarHBondContact OG1-SG 3.27Å; T3183-C3236 VanDerWaalsContact OG1-SG 3.35Å |
| 3184 | N | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | -179.5 | -74 | -60.4 | 0 | 0 | 0 | 112.3 | A2990 R2993 L2994 E3180 L3181 Y3188 | A2990-N3184 HydrophobicContact CB-CB 4.43Å; R2993-N3184 PolarHBondContact NE-OD1 3.21Å; R2993-N3184 PolarHBondContact NH2-OD1 2.96Å; L2994-N3184 HydrophobicContact CD2-CB 3.95Å; L2994-N3184 HydrophobicContact CG-CB 4.41Å; E3180-N3184 PolarHBondContact O-N 2.76Å; E3180-N3184 PolarHBondContact O-ND2 3.16Å; L3181-N3184 PolarHBondContact O-N 3.2Å; N3184-Y3188 VanDerWaalsContact O-CB 3.29Å; N3184-Y3188 WeakPolarHBondContact O-CB 3.43Å; N3184-Y3188 PolarHBondContact O-N 3.47Å |
| 3185 | L | 95.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.4 | -50.2 | 172.7 | 174.1 | 62.9 | 0 | 0 | 0 | 110.7 | L2994 M2998 L3002 L3018 L3022 L3181 M3182 T3183 L3187 Y3188 V3189 L3221 | L2994-L3185 HydrophobicContact CD2-CB 4.34Å; M2998-L3185 HydrophobicContact CE-CB 4.43Å; M2998-L3185 HydrophobicContact CE-CD1 3.99Å; M2998-L3185 HydrophobicContact CE-CD2 3.91Å; M2998-L3185 HydrophobicContact CE-CG 4.34Å; L3002-L3185 HydrophobicContact CD1-CD1 3.57Å; L3002-L3185 HydrophobicContact CD2-CD1 3.88Å; L3002-L3185 HydrophobicContact CG-CD1 4.39Å; L3018-L3185 HydrophobicContact CD2-CD1 4.42Å; L3018-L3185 HydrophobicContact CD2-CD2 4.21Å; L3022-L3185 HydrophobicContact CD1-CD2 3.93Å; L3022-L3185 HydrophobicContact CD2-CD2 4.04Å; L3022-L3185 HydrophobicContact CG-CD2 4.37Å; L3181-L3185 WeakPolarHBondContact O-CB 3.47Å; L3181-L3185 PolarHBondContact O-N 3.41Å; M3182-L3185 PolarHBondContact O-N 2.91Å; T3183-L3185 PolarHBondContact O-N 3.47Å; L3185-L3187 VanDerWaalsContact C-N 3.34Å; L3185-L3187 PolarHBondContact O-N 2.95Å; L3185-Y3188 PolarHBondContact O-N 3.39Å; L3185-V3189 HydrophobicContact CD1-CG2 4.07Å; L3185-V3189 VanDerWaalsContact O-CG2 3.29Å; L3185-V3189 WeakPolarHBondContact O-CG2 3.34Å; L3185-V3189 PolarHBondContact O-N 3.39Å; L3185-L3221 HydrophobicContact CD2-CD1 3.97Å |
| 3186 | T | 96.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 5% | 0.049 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | -179.3 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | M3182 T3183 C3190 C3236 M3237 F3251 | M3182-T3186 VanDerWaalsContact O-CB 3.31Å; M3182-T3186 WeakPolarHBondContact O-CB 3.41Å; M3182-T3186 PolarHBondContact O-N 2.9Å; M3182-T3186 PolarHBondContact O-OG1 2.74Å; T3183-T3186 PolarHBondContact O-N 3.49Å; T3186-C3190 PolarHBondContact O-N 2.52Å; T3186-C3190 VanDerWaalsContact O-N 3.14Å; T3186-C3236 HydrophobicContact CG2-CB 4.12Å; T3186-M3237 HydrophobicContact CG2-CG 4.04Å; T3186-F3251 HydrophobicContact CG2-CE1 3.71Å; T3186-F3251 HydrophobicContact CG2-CZ 3.5Å; T3186-F3251 VanDerWaalsContact CG2-CZ 3.5Å |
| 3187 | L | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 175.8 | -77.7 | 171.1 | 0 | 0 | 0 | 112.2 | A2937 C2987 A2990 T3183 L3185 V3189 C3190 I3191 Q3240 | A2937-L3187 HydrophobicContact CB-CD1 4.27Å; C2987-L3187 HydrophobicContact CB-CD1 4.07Å; C2987-L3187 HydrophobicContact CB-CD2 4.05Å; A2990-L3187 HydrophobicContact CB-CB 3.49Å; A2990-L3187 VanDerWaalsContact CB-CB 3.49Å; A2990-L3187 HydrophobicContact CB-CD1 4.13Å; A2990-L3187 HydrophobicContact CB-CG 4.47Å; T3183-L3187 HydrophobicContact CG2-CD1 3.96Å; T3183-L3187 WeakPolarHBondContact O-CB 3.43Å; T3183-L3187 WeakPolarHBondContact O-CG 3.45Å; T3183-L3187 PolarHBondContact O-N 3.17Å; L3185-L3187 VanDerWaalsContact C-N 3.34Å; L3185-L3187 PolarHBondContact O-N 2.95Å; L3187-V3189 PolarHBondContact O-N 3.06Å; L3187-C3190 WeakPolarHBondContact O-CB 3.47Å; L3187-C3190 PolarHBondContact O-N 2.93Å; L3187-I3191 WeakPolarHBondContact O-CD1 3.37Å; L3187-I3191 VanDerWaalsContact O-CG1 3.24Å; L3187-I3191 WeakPolarHBondContact O-CG1 3.42Å; L3187-I3191 PolarHBondContact O-N 3.47Å; L3187-Q3240 HydrophobicContact CD2-CG 4.49Å; L3187-Q3240 VanDerWaalsContact CD2-OE1 3.31Å |
| 3188 | Y | 96.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 24.9 Ų | 24.9 | 12% | 0.122 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | -179.4 | -172.5 | -114.9 | 0 | 0 | 0 | 112.5 | L2994 R2999 L3002 D3003 N3184 L3185 C3190 I3191 T3192 | L2994-Y3188 HydrophobicContact CD1-CD1 3.64Å; L2994-Y3188 HydrophobicContact CD1-CD2 4.45Å; L2994-Y3188 HydrophobicContact CD1-CE1 4.42Å; L2994-Y3188 HydrophobicContact CD1-CG 3.65Å; R2999-Y3188 HydrophobicContact CG-CE1 4.35Å; L3002-Y3188 HydrophobicContact CB-CE1 4.42Å; L3002-Y3188 HydrophobicContact CD1-CD1 4.32Å; D3003-Y3188 VanDerWaalsContact CG-OH 3.31Å; D3003-Y3188 WeakPolarHBondContact OD1-CE1 3.49Å; D3003-Y3188 PolarHBondContact OD1-OH 3.17Å; D3003-Y3188 PolarHBondContact OD2-OH 2.83Å; N3184-Y3188 VanDerWaalsContact O-CB 3.29Å; N3184-Y3188 WeakPolarHBondContact O-CB 3.43Å; N3184-Y3188 PolarHBondContact O-N 3.47Å; L3185-Y3188 PolarHBondContact O-N 3.39Å; Y3188-C3190 VanDerWaalsContact C-N 3.32Å; Y3188-C3190 PolarHBondContact O-N 2.99Å; Y3188-I3191 PolarHBondContact O-N 3.4Å; Y3188-T3192 HydrophobicContact CD1-CG2 4.42Å; Y3188-T3192 HydrophobicContact CD2-CG2 4.31Å; Y3188-T3192 HydrophobicContact CE1-CG2 4.04Å; Y3188-T3192 HydrophobicContact CE2-CG2 3.93Å; Y3188-T3192 WeakPolarHBondContact O-CB 3.5Å; Y3188-T3192 WeakPolarHBondContact O-CG2 3.15Å; Y3188-T3192 PolarHBondContact O-N 3.03Å; Y3188-T3192 PolarHBondContact O-OG1 3.45Å |
| 3189 | V | 96.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 173.8 | 172 | 0 | 0 | 0 | 0 | 110.5 | L3185 L3187 T3192 A3193 Q3214 I3217 I3218 | L3185-V3189 HydrophobicContact CD1-CG2 4.07Å; L3185-V3189 VanDerWaalsContact O-CG2 3.29Å; L3185-V3189 WeakPolarHBondContact O-CG2 3.34Å; L3185-V3189 PolarHBondContact O-N 3.39Å; L3187-V3189 PolarHBondContact O-N 3.06Å; V3189-T3192 PolarHBondContact O-OG1 2.81Å; V3189-T3192 VanDerWaalsContact O-OG1 3.07Å; V3189-A3193 VanDerWaalsContact O-CB 3.3Å; V3189-A3193 WeakPolarHBondContact O-CB 3.46Å; V3189-A3193 PolarHBondContact O-N 2.75Å; V3189-Q3214 HydrophobicContact CG1-CB 3.57Å; V3189-Q3214 HydrophobicContact CG1-CG 3.9Å; V3189-Q3214 WeakPolarHBondContact O-CG 3.1Å; V3189-I3217 HydrophobicContact CG2-CD1 4.42Å; V3189-I3217 HydrophobicContact CG2-CG2 4.36Å; V3189-I3218 HydrophobicContact CG1-CD1 4.04Å; V3189-I3218 HydrophobicContact CG1-CG1 4.12Å |
| 3190 | C | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -49.5 | 176 | 178.7 | 0 | 0 | 0 | 0 | 113.1 | T3186 L3187 Y3188 T3192 A3193 I3194 Y3250 F3251 | T3186-C3190 PolarHBondContact O-N 2.52Å; T3186-C3190 VanDerWaalsContact O-N 3.14Å; L3187-C3190 WeakPolarHBondContact O-CB 3.47Å; L3187-C3190 PolarHBondContact O-N 2.93Å; Y3188-C3190 VanDerWaalsContact C-N 3.32Å; Y3188-C3190 PolarHBondContact O-N 2.99Å; C3190-T3192 VanDerWaalsContact C-N 3.33Å; C3190-T3192 PolarHBondContact O-N 3.48Å; C3190-A3193 WeakPolarHBondContact O-CB 3.3Å; C3190-A3193 PolarHBondContact O-N 3.28Å; C3190-I3194 WeakPolarHBondContact O-CG1 3.47Å; C3190-I3194 PolarHBondContact O-N 2.94Å; C3190-I3194 WeakPolarHBondContact SG-CD1 3.31Å; C3190-Y3250 HydrophobicContact CB-CD1 3.95Å; C3190-Y3250 HydrophobicContact CB-CE1 4.01Å; C3190-Y3250 WeakPolarHBondContact SG-CD1 3.5Å; C3190-F3251 HydrophobicContact CB-CD2 4.37Å; C3190-F3251 HydrophobicContact CB-CE2 3.34Å; C3190-F3251 HydrophobicContact CB-CZ 3.49Å; C3190-F3251 VanDerWaalsContact CB-CZ 3.49Å; C3190-F3251 WeakPolarHBondContact SG-CE2 3.17Å |
| 3191 | I | 95.8 | Very high | 93.4 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 16% | 0.159 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | -178.7 | -67.9 | 160.9 | 0 | 0 | 0 | 110.4 | C2987 M2988 A2990 L3187 Y3188 R3195 | C2987-I3191 WeakPolarHBondContact O-CD1 3.31Å; M2988-I3191 HydrophobicContact CE-CG1 4.33Å; M2988-I3191 HydrophobicContact CE-CG2 4.37Å; M2988-I3191 HydrophobicContact SD-CD1 4.34Å; M2988-I3191 HydrophobicContact SD-CG1 4.21Å; A2990-I3191 HydrophobicContact CB-CD1 4.34Å; L3187-I3191 WeakPolarHBondContact O-CD1 3.37Å; L3187-I3191 VanDerWaalsContact O-CG1 3.24Å; L3187-I3191 WeakPolarHBondContact O-CG1 3.42Å; L3187-I3191 PolarHBondContact O-N 3.47Å; Y3188-I3191 PolarHBondContact O-N 3.4Å; I3191-R3195 VanDerWaalsContact O-CB 3.32Å; I3191-R3195 WeakPolarHBondContact O-CB 3.38Å; I3191-R3195 PolarHBondContact O-N 3.14Å |
| 3192 | T | 95.5 | Very high | 93.4 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.3 | -34.8 | 178.9 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | L3006 Y3188 V3189 C3190 N3196 | L3006-T3192 HydrophobicContact CD1-CG2 4.01Å; L3006-T3192 WeakPolarHBondContact CD1-OG1 3.43Å; Y3188-T3192 HydrophobicContact CD1-CG2 4.42Å; Y3188-T3192 HydrophobicContact CD2-CG2 4.31Å; Y3188-T3192 HydrophobicContact CE1-CG2 4.04Å; Y3188-T3192 HydrophobicContact CE2-CG2 3.93Å; Y3188-T3192 WeakPolarHBondContact O-CB 3.5Å; Y3188-T3192 WeakPolarHBondContact O-CG2 3.15Å; Y3188-T3192 PolarHBondContact O-N 3.03Å; Y3188-T3192 PolarHBondContact O-OG1 3.45Å; V3189-T3192 PolarHBondContact O-OG1 2.81Å; V3189-T3192 VanDerWaalsContact O-OG1 3.07Å; C3190-T3192 VanDerWaalsContact C-N 3.33Å; C3190-T3192 PolarHBondContact O-N 3.48Å; T3192-N3196 VanDerWaalsContact O-CB 3.28Å; T3192-N3196 WeakPolarHBondContact O-CB 3.12Å; T3192-N3196 PolarHBondContact O-N 3.31Å |
| 3193 | A | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -53.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V3189 C3190 R3195 N3196 L3197 Q3214 Y3250 | V3189-A3193 VanDerWaalsContact O-CB 3.3Å; V3189-A3193 WeakPolarHBondContact O-CB 3.46Å; V3189-A3193 PolarHBondContact O-N 2.75Å; C3190-A3193 WeakPolarHBondContact O-CB 3.3Å; C3190-A3193 PolarHBondContact O-N 3.28Å; A3193-R3195 VanDerWaalsContact C-N 3.31Å; A3193-R3195 PolarHBondContact O-N 3.27Å; A3193-N3196 PolarHBondContact O-N 3.25Å; A3193-L3197 VanDerWaalsContact O-CG 3.3Å; A3193-L3197 WeakPolarHBondContact O-CG 3.49Å; A3193-L3197 PolarHBondContact O-N 2.89Å; A3193-Q3214 HydrophobicContact CB-CB 3.88Å; A3193-Q3214 HydrophobicContact CB-CG 3.69Å; A3193-Y3250 HydrophobicContact CB-CD2 4.24Å; A3193-Y3250 HydrophobicContact CB-CE2 3.4Å; A3193-Y3250 WeakPolarHBondContact CB-OH 3.23Å |
| 3194 | I | 93.9 | Very high | 93 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | -178.6 | -69.1 | 165.2 | 0 | 0 | 0 | 110.5 | L2977 C3190 L3197 R3198 H3247 Y3250 | L2977-I3194 HydrophobicContact CD1-CG2 4.38Å; C3190-I3194 WeakPolarHBondContact O-CG1 3.47Å; C3190-I3194 PolarHBondContact O-N 2.94Å; C3190-I3194 WeakPolarHBondContact SG-CD1 3.31Å; I3194-L3197 PolarHBondContact O-N 3.31Å; I3194-R3198 PolarHBondContact O-N 3.21Å; I3194-H3247 VanDerWaalsContact CD1-CD2 3.49Å; I3194-H3247 WeakPolarHBondContact CD1-CD2 3.5Å; I3194-Y3250 HydrophobicContact CD1-CG 4.38Å; I3194-Y3250 HydrophobicContact CG1-CD2 4.18Å; I3194-Y3250 HydrophobicContact CG1-CG 4.26Å |
| 3195 | R | 92.8 | Very high | 92.7 | Very high | 164 Ų | 164 | 43 Ų | 43 | 62% | 0.619 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.6 | -48.7 | 175.3 | -179.2 | 178.7 | 170.3 | 177.4 | -1.2 | 111.8 | I3191 A3193 L3197 R3198 E3199 | I3191-R3195 VanDerWaalsContact O-CB 3.32Å; I3191-R3195 WeakPolarHBondContact O-CB 3.38Å; I3191-R3195 PolarHBondContact O-N 3.14Å; A3193-R3195 VanDerWaalsContact C-N 3.31Å; A3193-R3195 PolarHBondContact O-N 3.27Å; R3195-L3197 VanDerWaalsContact C-N 3.34Å; R3195-L3197 PolarHBondContact O-N 2.94Å; R3195-R3198 PolarHBondContact O-N 3.15Å; R3195-E3199 HydrophobicContact CG-CG 4.48Å; R3195-E3199 WeakPolarHBondContact CG-OE1 3.14Å; R3195-E3199 IonicContact CZ-OE1 2.72Å; R3195-E3199 IonicContact NE-OE1 2.69Å; R3195-E3199 PolarHBondContact NE-OE1 3.33Å; R3195-E3199 IonicContact NH2-OE1 3.33Å; R3195-E3199 PolarHBondContact NH2-OE1 2.86Å; R3195-E3199 WeakPolarHBondContact O-CG 3.32Å; R3195-E3199 PolarHBondContact O-N 2.88Å |
| 3196 | N | 92 | Very high | 92.4 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 179.5 | -167.4 | -57.3 | 0 | 0 | 0 | 111.8 | T3192 A3193 E3199 K3200 | T3192-N3196 VanDerWaalsContact O-CB 3.28Å; T3192-N3196 WeakPolarHBondContact O-CB 3.12Å; T3192-N3196 PolarHBondContact O-N 3.31Å; A3193-N3196 PolarHBondContact O-N 3.25Å; N3196-E3199 PolarHBondContact O-N 2.88Å; N3196-K3200 WeakPolarHBondContact O-CB 3.38Å; N3196-K3200 WeakPolarHBondContact O-CG 3.46Å; N3196-K3200 PolarHBondContact O-N 3.34Å; N3196-K3200 VanDerWaalsContact OD1-CD 3.3Å; N3196-K3200 WeakPolarHBondContact OD1-CD 3.29Å; N3196-K3200 WeakPolarHBondContact OD1-CE 3.46Å; N3196-K3200 PolarHBondContact OD1-NZ 3.3Å |
| 3197 | L | 91.6 | Very high | 92 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.9 | -68.2 | 178.6 | 0 | 0 | 0 | 112.2 | L2977 A3193 I3194 R3195 K3200 G3201 M3202 L3204 T3208 I3209 T3212 | L2977-L3197 HydrophobicContact CD2-CB 3.49Å; L2977-L3197 VanDerWaalsContact CD2-CB 3.49Å; L2977-L3197 HydrophobicContact CD2-CD1 4.39Å; A3193-L3197 VanDerWaalsContact O-CG 3.3Å; A3193-L3197 WeakPolarHBondContact O-CG 3.49Å; A3193-L3197 PolarHBondContact O-N 2.89Å; I3194-L3197 PolarHBondContact O-N 3.31Å; R3195-L3197 VanDerWaalsContact C-N 3.34Å; R3195-L3197 PolarHBondContact O-N 2.94Å; L3197-K3200 PolarHBondContact O-N 3.37Å; L3197-G3201 PolarHBondContact O-N 3.2Å; L3197-M3202 HydrophobicContact CD2-CB 4.13Å; L3197-M3202 PolarHBondContact O-N 2.86Å; L3197-L3204 HydrophobicContact CD1-CD1 3.79Å; L3197-T3208 HydrophobicContact CD2-CG2 3.41Å; L3197-T3208 VanDerWaalsContact CD2-CG2 3.41Å; L3197-I3209 HydrophobicContact CD1-CG1 4.46Å; L3197-T3212 HydrophobicContact CD2-CG2 4.08Å |
| 3198 | R | 91.4 | Very high | 91.7 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 174.5 | -77.9 | -168.9 | -174.2 | 145.7 | 9.2 | 112.4 | L2977 L2980 D2982 I3194 R3195 K3200 G3201 | L2977-R3198 HydrophobicContact CD2-CG 3.81Å; L2977-R3198 HydrophobicContact CG-CG 3.85Å; L2980-R3198 PolarHBondContact O-NH2 2.91Å; D2982-R3198 VanDerWaalsContact CG-NH1 3.34Å; D2982-R3198 VanDerWaalsContact CG-NH2 3.33Å; D2982-R3198 IonicContact OD1-CZ 2.65Å; D2982-R3198 IonicContact OD1-NH1 2.8Å; D2982-R3198 PolarHBondContact OD1-NH1 3.15Å; D2982-R3198 IonicContact OD1-NH2 3.45Å; D2982-R3198 PolarHBondContact OD1-NH2 3.47Å; D2982-R3198 IonicContact OD2-CZ 3.78Å; D2982-R3198 IonicContact OD2-NH1 3.73Å; D2982-R3198 PolarHBondContact OD2-NH1 3.12Å; D2982-R3198 IonicContact OD2-NH2 3.65Å; I3194-R3198 PolarHBondContact O-N 3.21Å; R3195-R3198 PolarHBondContact O-N 3.15Å; R3198-K3200 PolarHBondContact O-N 3.44Å; R3198-G3201 PolarHBondContact O-N 2.83Å |
| 3199 | E | 90.7 | Very high | 91.4 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 61% | 0.612 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.9 | -34.3 | 178.3 | -74.6 | 173.6 | -178 | 0 | 0 | 111.9 | R3195 N3196 | R3195-E3199 HydrophobicContact CG-CG 4.48Å; R3195-E3199 WeakPolarHBondContact CG-OE1 3.14Å; R3195-E3199 IonicContact CZ-OE1 2.72Å; R3195-E3199 IonicContact NE-OE1 2.69Å; R3195-E3199 PolarHBondContact NE-OE1 3.33Å; R3195-E3199 IonicContact NH2-OE1 3.33Å; R3195-E3199 PolarHBondContact NH2-OE1 2.86Å; R3195-E3199 WeakPolarHBondContact O-CG 3.32Å; R3195-E3199 PolarHBondContact O-N 2.88Å; N3196-E3199 PolarHBondContact O-N 2.88Å |
| 3200 | K | 90 | Very high | 91 | Very high | 139 Ų | 139 | 47.9 Ų | 47.9 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.1 | 174.9 | -69.7 | 176.8 | 178.8 | 161.6 | 0 | 114.5 | N3196 L3197 R3198 M3202 | N3196-K3200 WeakPolarHBondContact O-CB 3.38Å; N3196-K3200 WeakPolarHBondContact O-CG 3.46Å; N3196-K3200 PolarHBondContact O-N 3.34Å; N3196-K3200 VanDerWaalsContact OD1-CD 3.3Å; N3196-K3200 WeakPolarHBondContact OD1-CD 3.29Å; N3196-K3200 WeakPolarHBondContact OD1-CE 3.46Å; N3196-K3200 PolarHBondContact OD1-NZ 3.3Å; L3197-K3200 PolarHBondContact O-N 3.37Å; R3198-K3200 PolarHBondContact O-N 3.44Å; K3200-M3202 VanDerWaalsContact C-N 3.26Å; K3200-M3202 HydrophobicContact CB-CG 3.97Å; K3200-M3202 PolarHBondContact O-N 3.1Å |
| 3201 | G | 87.6 | Confident | 90.7 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 25.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L3197 R3198 | L3197-G3201 PolarHBondContact O-N 3.2Å; R3198-G3201 PolarHBondContact O-N 2.83Å |
| 3202 | M | 88.6 | Confident | 90.6 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 42% | 0.419 | 28% | 0.278 | S | S | . | . | trans | -87.2 | 143.7 | -178.7 | -69 | -69.5 | -65.7 | 0 | 0 | 111.5 | L3197 K3200 T3208 | L3197-M3202 HydrophobicContact CD2-CB 4.13Å; L3197-M3202 PolarHBondContact O-N 2.86Å; K3200-M3202 VanDerWaalsContact C-N 3.26Å; K3200-M3202 HydrophobicContact CB-CG 3.97Å; K3200-M3202 PolarHBondContact O-N 3.1Å; M3202-T3208 HydrophobicContact CB-CG2 3.77Å; M3202-T3208 HydrophobicContact CE-CG2 3.83Å; M3202-T3208 HydrophobicContact CG-CG2 4.43Å | ||
| 3203 | P | 88.2 | Confident | 90.5 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | trans | -70.8 | 151.5 | 176.3 | 31.2 | -36 | 0 | 0 | 0 | 111.5 | D2975 N3205 T3208 | D2975-P3203 WeakPolarHBondContact O-CB 3.44Å; P3203-N3205 PolarHBondContact O-N 3.07Å; P3203-T3208 VanDerWaalsContact O-CB 3.28Å; P3203-T3208 WeakPolarHBondContact O-CB 3.2Å; P3203-T3208 WeakPolarHBondContact O-CG2 3.3Å; P3203-T3208 PolarHBondContact O-OG1 3.16Å | ||
| 3204 | L | 88.7 | Confident | 90.6 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -89.7 | 102.8 | 177.4 | -178.3 | 71.5 | 0 | 0 | 0 | 110.3 | L2977 L2980 L3197 I3209 Y3250 Y3253 | L2977-L3204 HydrophobicContact CB-CB 4.05Å; L2977-L3204 HydrophobicContact CD1-CB 3.84Å; L2977-L3204 HydrophobicContact CD1-CD2 3.89Å; L2977-L3204 HydrophobicContact CD1-CG 4.34Å; L2977-L3204 HydrophobicContact CD2-CB 4.26Å; L2977-L3204 HydrophobicContact CG-CB 4.26Å; L2980-L3204 HydrophobicContact CD1-CD2 3.91Å; L3197-L3204 HydrophobicContact CD1-CD1 3.79Å; L3204-I3209 HydrophobicContact CD1-CD1 3.73Å; L3204-I3209 HydrophobicContact CD1-CG1 3.98Å; L3204-Y3250 HydrophobicContact CD1-CD2 3.92Å; L3204-Y3253 HydrophobicContact CD2-CD2 4.41Å; L3204-Y3253 HydrophobicContact CD2-CE2 4.46Å; L3204-Y3253 HydrophobicContact CG-CD2 4.02Å; L3204-Y3253 HydrophobicContact CG-CE2 4.2Å; L3204-Y3253 VanDerWaalsContact O-CE2 3.28Å; L3204-Y3253 WeakPolarHBondContact O-CE2 3.47Å | ||
| 3205 | N | 87.8 | Confident | 90.7 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -151.6 | 175.6 | 174.6 | 61.3 | 30.2 | 0 | 0 | 0 | 110 | P3203 S3207 T3208 I3209 | P3203-N3205 PolarHBondContact O-N 3.07Å; N3205-S3207 VanDerWaalsContact C-N 3.34Å; N3205-S3207 PolarHBondContact O-N 3.21Å; N3205-S3207 PolarHBondContact OD1-N 2.95Å; N3205-S3207 PolarHBondContact OD1-OG 3.48Å; N3205-T3208 PolarHBondContact O-N 2.8Å; N3205-T3208 WeakPolarHBondContact OD1-CB 3.2Å; N3205-T3208 PolarHBondContact OD1-N 3.45Å; N3205-T3208 PolarHBondContact OD1-OG1 3.25Å; N3205-I3209 WeakPolarHBondContact O-CD1 3.44Å; N3205-I3209 VanDerWaalsContact O-CG1 3.26Å; N3205-I3209 WeakPolarHBondContact O-CG1 3.43Å; N3205-I3209 PolarHBondContact O-N 3.3Å; N3205-I3209 VanDerWaalsContact O-N 3.13Å |
| 3206 | M | 87.9 | Confident | 90.7 | Very high | 42 Ų | 42 | 47 Ų | 47 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -39.7 | -177.6 | -66 | 171.2 | 64.4 | 0 | 0 | 113.3 | A3210 Y3253 L3256 Y3257 Y3302 | M3206-A3210 WeakPolarHBondContact O-CB 3.45Å; M3206-A3210 PolarHBondContact O-N 3.32Å; M3206-A3210 VanDerWaalsContact O-N 3.14Å; M3206-Y3253 HydrophobicContact CG-CD1 3.85Å; M3206-Y3253 HydrophobicContact CG-CG 4.3Å; M3206-L3256 HydrophobicContact CE-CB 4.18Å; M3206-L3256 HydrophobicContact SD-CB 4.08Å; M3206-Y3257 VanDerWaalsContact CE-CA 3.5Å; M3206-Y3257 HydrophobicContact CE-CD2 4.47Å; M3206-Y3302 HydrophobicContact CE-CE1 4.21Å; M3206-Y3302 PolarHBondContact SD-OH 3.45Å |
| 3207 | S | 87.6 | Confident | 90.9 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 53% | 0.531 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.9 | -38.3 | -177.6 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | N3205 H3211 | N3205-S3207 VanDerWaalsContact C-N 3.34Å; N3205-S3207 PolarHBondContact O-N 3.21Å; N3205-S3207 PolarHBondContact OD1-N 2.95Å; N3205-S3207 PolarHBondContact OD1-OG 3.48Å; S3207-H3211 PolarHBondContact O-CD2 3.41Å; S3207-H3211 VanDerWaalsContact O-CD2 3.23Å |
| 3208 | T | 89.9 | Confident | 91.1 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.3 | -42.9 | 176.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | L3197 M3202 P3203 N3205 A3210 H3211 | L3197-T3208 HydrophobicContact CD2-CG2 3.41Å; L3197-T3208 VanDerWaalsContact CD2-CG2 3.41Å; M3202-T3208 HydrophobicContact CB-CG2 3.77Å; M3202-T3208 HydrophobicContact CE-CG2 3.83Å; M3202-T3208 HydrophobicContact CG-CG2 4.43Å; P3203-T3208 VanDerWaalsContact O-CB 3.28Å; P3203-T3208 WeakPolarHBondContact O-CB 3.2Å; P3203-T3208 WeakPolarHBondContact O-CG2 3.3Å; P3203-T3208 PolarHBondContact O-OG1 3.16Å; N3205-T3208 PolarHBondContact O-N 2.8Å; N3205-T3208 WeakPolarHBondContact OD1-CB 3.2Å; N3205-T3208 PolarHBondContact OD1-N 3.45Å; N3205-T3208 PolarHBondContact OD1-OG1 3.25Å; T3208-A3210 VanDerWaalsContact C-N 3.31Å; T3208-A3210 PolarHBondContact O-N 2.73Å; T3208-H3211 PolarHBondContact O-N 3.13Å |
| 3209 | I | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -37.4 | -178.4 | -64.9 | 164.6 | 0 | 0 | 0 | 111 | L3197 L3204 N3205 H3211 T3212 M3215 Y3250 Y3253 | L3197-I3209 HydrophobicContact CD1-CG1 4.46Å; L3204-I3209 HydrophobicContact CD1-CD1 3.73Å; L3204-I3209 HydrophobicContact CD1-CG1 3.98Å; N3205-I3209 WeakPolarHBondContact O-CD1 3.44Å; N3205-I3209 VanDerWaalsContact O-CG1 3.26Å; N3205-I3209 WeakPolarHBondContact O-CG1 3.43Å; N3205-I3209 PolarHBondContact O-N 3.3Å; N3205-I3209 VanDerWaalsContact O-N 3.13Å; I3209-H3211 PolarHBondContact O-N 2.98Å; I3209-H3211 VanDerWaalsContact O-N 3.09Å; I3209-T3212 WeakPolarHBondContact O-CB 3.4Å; I3209-T3212 PolarHBondContact O-N 3.34Å; I3209-T3212 PolarHBondContact O-OG1 2.97Å; I3209-M3215 HydrophobicContact CG2-SD 3.93Å; I3209-M3215 VanDerWaalsContact O-CB 3.28Å; I3209-M3215 WeakPolarHBondContact O-CB 3.46Å; I3209-Y3250 HydrophobicContact CD1-CD2 3.99Å; I3209-Y3250 HydrophobicContact CD1-CE2 4.23Å; I3209-Y3250 HydrophobicContact CG1-CD2 4.18Å; I3209-Y3250 HydrophobicContact CG1-CE2 4.05Å; I3209-Y3250 HydrophobicContact CG2-CE2 3.96Å; I3209-Y3253 HydrophobicContact CD1-CD2 4.34Å; I3209-Y3253 HydrophobicContact CD1-CG 4.37Å |
| 3210 | A | 89.8 | Confident | 91.4 | Very high | 13 Ų | 13 | 38 Ų | 38 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.2 | -33.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M3206 T3208 Y3257 | M3206-A3210 WeakPolarHBondContact O-CB 3.45Å; M3206-A3210 PolarHBondContact O-N 3.32Å; M3206-A3210 VanDerWaalsContact O-N 3.14Å; T3208-A3210 VanDerWaalsContact C-N 3.31Å; T3208-A3210 PolarHBondContact O-N 2.73Å; A3210-Y3257 HydrophobicContact CB-CD2 4.26Å; A3210-Y3257 HydrophobicContact CB-CE1 4.18Å; A3210-Y3257 HydrophobicContact CB-CE2 3.48Å; A3210-Y3257 VanDerWaalsContact CB-CE2 3.48Å; A3210-Y3257 VanDerWaalsContact CB-CZ 3.46Å |
| 3211 | H | 89 | Confident | 91.7 | Very high | 146 Ų | 146 | 31.5 Ų | 31.5 | 68% | 0.676 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 4.6 | -176.1 | -60.3 | -59.1 | 0 | 0 | 0 | 113.9 | R3009 S3207 T3208 I3209 | R3009-H3211 PolarHBondContact NH2-O 3.35Å; S3207-H3211 PolarHBondContact O-CD2 3.41Å; S3207-H3211 VanDerWaalsContact O-CD2 3.23Å; T3208-H3211 PolarHBondContact O-N 3.13Å; I3209-H3211 PolarHBondContact O-N 2.98Å; I3209-H3211 VanDerWaalsContact O-N 3.09Å |
| 3212 | T | 93.8 | Very high | 92 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -82.4 | 143.5 | -178.2 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | L3197 I3209 Q3214 M3215 D3216 | L3197-T3212 HydrophobicContact CD2-CG2 4.08Å; I3209-T3212 WeakPolarHBondContact O-CB 3.4Å; I3209-T3212 PolarHBondContact O-N 3.34Å; I3209-T3212 PolarHBondContact O-OG1 2.97Å; T3212-Q3214 PolarHBondContact O-N 2.64Å; T3212-Q3214 VanDerWaalsContact O-N 3.16Å; T3212-M3215 WeakPolarHBondContact O-CB 3.41Å; T3212-M3215 PolarHBondContact O-N 3.49Å; T3212-M3215 PolarHBondContact OG1-N 2.84Å; T3212-D3216 PolarHBondContact O-N 2.83Å |
| 3213 | P | 94.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -23.5 | 174.2 | 25.4 | -33.3 | 0 | 0 | 0 | 112.7 | Y3005 L3006 R3009 D3216 I3217 | Y3005-P3213 HydrophobicContact CE1-CB 4.41Å; L3006-P3213 HydrophobicContact CD2-CB 4.25Å; L3006-P3213 HydrophobicContact CD2-CG 4.28Å; R3009-P3213 HydrophobicContact CG-CB 4.17Å; P3213-D3216 WeakPolarHBondContact O-CB 3.3Å; P3213-D3216 PolarHBondContact O-N 3.3Å; P3213-I3217 PolarHBondContact O-N 2.93Å |
| 3214 | Q | 96.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 171.7 | -69.6 | 88.1 | -2.7 | 0 | 0 | 112.5 | L3006 V3189 A3193 T3212 I3217 I3218 | L3006-Q3214 HydrophobicContact CD2-CG 3.68Å; V3189-Q3214 HydrophobicContact CG1-CB 3.57Å; V3189-Q3214 HydrophobicContact CG1-CG 3.9Å; V3189-Q3214 WeakPolarHBondContact O-CG 3.1Å; A3193-Q3214 HydrophobicContact CB-CB 3.88Å; A3193-Q3214 HydrophobicContact CB-CG 3.69Å; T3212-Q3214 PolarHBondContact O-N 2.64Å; T3212-Q3214 VanDerWaalsContact O-N 3.16Å; Q3214-I3217 WeakPolarHBondContact O-CB 3.29Å; Q3214-I3217 PolarHBondContact O-N 3.15Å; Q3214-I3218 WeakPolarHBondContact O-CG1 3.29Å; Q3214-I3218 PolarHBondContact O-N 3.33Å; Q3214-I3218 VanDerWaalsContact O-N 3.16Å |
| 3215 | M | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.6 | -36.6 | 175.8 | -166 | 70 | -138.5 | 0 | 0 | 111.7 | I3209 T3212 I3217 I3218 Q3219 T3254 Y3257 L3258 | I3209-M3215 HydrophobicContact CG2-SD 3.93Å; I3209-M3215 VanDerWaalsContact O-CB 3.28Å; I3209-M3215 WeakPolarHBondContact O-CB 3.46Å; T3212-M3215 WeakPolarHBondContact O-CB 3.41Å; T3212-M3215 PolarHBondContact O-N 3.49Å; T3212-M3215 PolarHBondContact OG1-N 2.84Å; M3215-I3217 PolarHBondContact O-N 3.11Å; M3215-I3218 HydrophobicContact CE-CB 4.25Å; M3215-I3218 HydrophobicContact CE-CG2 4.02Å; M3215-I3218 PolarHBondContact O-N 2.88Å; M3215-Q3219 HydrophobicContact CE-CG 3.58Å; M3215-Q3219 HydrophobicContact CG-CG 4.27Å; M3215-Q3219 WeakPolarHBondContact O-CB 3.41Å; M3215-Q3219 WeakPolarHBondContact O-CG 3.23Å; M3215-Q3219 PolarHBondContact O-N 3.36Å; M3215-T3254 HydrophobicContact CE-CG2 4.18Å; M3215-T3254 HydrophobicContact SD-CG2 4.09Å; M3215-Y3257 HydrophobicContact CE-CD1 3.54Å; M3215-Y3257 HydrophobicContact CE-CE1 3.73Å; M3215-Y3257 HydrophobicContact CG-CD1 4.25Å; M3215-Y3257 HydrophobicContact CG-CE1 3.81Å; M3215-Y3257 HydrophobicContact SD-CD1 3.77Å; M3215-Y3257 HydrophobicContact SD-CE1 3.95Å; M3215-L3258 HydrophobicContact CE-CD1 4.49Å; M3215-L3258 HydrophobicContact CE-CD2 3.41Å; M3215-L3258 VanDerWaalsContact CE-CD2 3.41Å; M3215-L3258 HydrophobicContact CE-CG 3.78Å |
| 3216 | D | 94.7 | Very high | 92.6 | Very high | 37 Ų | 37 | 30.4 Ų | 30.4 | 20% | 0.198 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56 | -42.2 | 174.1 | -57.6 | -15.9 | 0 | 0 | 0 | 110.9 | Y3005 R3009 T3212 P3213 S3220 | Y3005-D3216 HydrophobicContact CE1-CB 4.47Å; R3009-D3216 IonicContact CZ-OD2 3.53Å; R3009-D3216 IonicContact NH1-OD1 3.5Å; R3009-D3216 IonicContact NH1-OD2 3.38Å; R3009-D3216 PolarHBondContact NH1-OD2 3.41Å; T3212-D3216 PolarHBondContact O-N 2.83Å; P3213-D3216 WeakPolarHBondContact O-CB 3.3Å; P3213-D3216 PolarHBondContact O-N 3.3Å; D3216-S3220 WeakPolarHBondContact O-CB 3.42Å; D3216-S3220 PolarHBondContact O-N 3.26Å |
| 3217 | I | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -50.6 | 176.2 | -63.8 | 168.2 | 0 | 0 | 0 | 110.7 | L3002 Y3005 L3006 L3015 L3018 V3189 P3213 Q3214 M3215 Q3219 S3220 L3221 | L3002-I3217 HydrophobicContact CD2-CD1 3.94Å; Y3005-I3217 HydrophobicContact CD1-CD1 3.95Å; Y3005-I3217 HydrophobicContact CD1-CG1 4.01Å; Y3005-I3217 HydrophobicContact CE1-CD1 4.26Å; Y3005-I3217 HydrophobicContact CE1-CG1 3.85Å; L3006-I3217 HydrophobicContact CD2-CD1 3.76Å; L3015-I3217 HydrophobicContact CD2-CB 4.4Å; L3015-I3217 HydrophobicContact CD2-CG1 3.88Å; L3018-I3217 HydrophobicContact CD1-CG2 3.81Å; V3189-I3217 HydrophobicContact CG2-CD1 4.42Å; V3189-I3217 HydrophobicContact CG2-CG2 4.36Å; P3213-I3217 PolarHBondContact O-N 2.93Å; Q3214-I3217 WeakPolarHBondContact O-CB 3.29Å; Q3214-I3217 PolarHBondContact O-N 3.15Å; M3215-I3217 PolarHBondContact O-N 3.11Å; I3217-Q3219 PolarHBondContact O-N 3.22Å; I3217-S3220 PolarHBondContact O-N 2.68Å; I3217-L3221 HydrophobicContact CG2-CD1 4.04Å; I3217-L3221 HydrophobicContact CG2-CG 4.46Å; I3217-L3221 WeakPolarHBondContact O-CG 3.49Å; I3217-L3221 PolarHBondContact O-N 3.15Å |
| 3218 | I | 96 | Very high | 92.6 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.036 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | -178.3 | -66.2 | 174.8 | 0 | 0 | 0 | 110.8 | V3189 Q3214 M3215 L3221 V3222 M3237 T3254 L3258 | V3189-I3218 HydrophobicContact CG1-CD1 4.04Å; V3189-I3218 HydrophobicContact CG1-CG1 4.12Å; Q3214-I3218 WeakPolarHBondContact O-CG1 3.29Å; Q3214-I3218 PolarHBondContact O-N 3.33Å; Q3214-I3218 VanDerWaalsContact O-N 3.16Å; M3215-I3218 HydrophobicContact CE-CB 4.25Å; M3215-I3218 HydrophobicContact CE-CG2 4.02Å; M3215-I3218 PolarHBondContact O-N 2.88Å; I3218-L3221 PolarHBondContact O-N 2.82Å; I3218-V3222 HydrophobicContact CG2-CG2 4.35Å; I3218-V3222 WeakPolarHBondContact O-CB 3.19Å; I3218-V3222 VanDerWaalsContact O-CG2 3.27Å; I3218-V3222 WeakPolarHBondContact O-CG2 3.43Å; I3218-V3222 PolarHBondContact O-N 2.69Å; I3218-M3237 HydrophobicContact CG2-CE 4.06Å; I3218-M3237 HydrophobicContact CG2-SD 4.37Å; I3218-T3254 HydrophobicContact CD1-CG2 3.94Å; I3218-T3254 HydrophobicContact CG2-CG2 4.24Å; I3218-L3258 HydrophobicContact CG2-CD1 3.92Å; I3218-L3258 HydrophobicContact CG2-CD2 4.44Å |
| 3219 | Q | 94.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 21% | 0.21 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.2 | -72.8 | -177.1 | -30.6 | 0 | 0 | 111.8 | M3215 I3217 L3221 V3222 L3223 Y3257 L3258 | M3215-Q3219 HydrophobicContact CE-CG 3.58Å; M3215-Q3219 HydrophobicContact CG-CG 4.27Å; M3215-Q3219 WeakPolarHBondContact O-CB 3.41Å; M3215-Q3219 WeakPolarHBondContact O-CG 3.23Å; M3215-Q3219 PolarHBondContact O-N 3.36Å; I3217-Q3219 PolarHBondContact O-N 3.22Å; Q3219-L3221 VanDerWaalsContact C-N 3.34Å; Q3219-L3221 PolarHBondContact O-N 2.83Å; Q3219-V3222 PolarHBondContact O-N 3.41Å; Q3219-L3223 WeakPolarHBondContact O-CB 3.36Å; Q3219-L3223 VanDerWaalsContact O-CG 3.25Å; Q3219-L3223 WeakPolarHBondContact O-CG 3.33Å; Q3219-L3223 PolarHBondContact O-N 2.85Å; Q3219-Y3257 PolarHBondContact NE2-OH 3.01Å; Q3219-L3258 HydrophobicContact CG-CD2 4.22Å |
| 3220 | S | 93.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 27 Ų | 27 | 8% | 0.077 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 174.8 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L3015 D3216 I3217 L3223 N3224 | L3015-S3220 WeakPolarHBondContact CB-OG 3.48Å; L3015-S3220 PolarHBondContact O-OG 2.86Å; D3216-S3220 WeakPolarHBondContact O-CB 3.42Å; D3216-S3220 PolarHBondContact O-N 3.26Å; I3217-S3220 PolarHBondContact O-N 2.68Å; S3220-L3223 PolarHBondContact O-N 3.33Å; S3220-N3224 VanDerWaalsContact O-CB 3.29Å; S3220-N3224 WeakPolarHBondContact O-CB 3.21Å; S3220-N3224 PolarHBondContact O-N 3.21Å; S3220-N3224 PolarHBondContact O-ND2 2.95Å; S3220-N3224 PolarHBondContact OG-ND2 3.4Å |
| 3221 | L | 95.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 179.1 | -69.3 | 174.3 | 0 | 0 | 0 | 111.6 | L3018 V3019 L3022 L3185 I3217 I3218 Q3219 L3223 N3224 L3225 L3233 | L3018-L3221 HydrophobicContact CB-CD2 3.97Å; V3019-L3221 HydrophobicContact CG2-CD2 4.14Å; L3022-L3221 HydrophobicContact CD1-CD2 3.79Å; L3185-L3221 HydrophobicContact CD2-CD1 3.97Å; I3217-L3221 HydrophobicContact CG2-CD1 4.04Å; I3217-L3221 HydrophobicContact CG2-CG 4.46Å; I3217-L3221 WeakPolarHBondContact O-CG 3.49Å; I3217-L3221 PolarHBondContact O-N 3.15Å; I3218-L3221 PolarHBondContact O-N 2.82Å; Q3219-L3221 VanDerWaalsContact C-N 3.34Å; Q3219-L3221 PolarHBondContact O-N 2.83Å; L3221-L3223 PolarHBondContact O-N 3.35Å; L3221-N3224 PolarHBondContact O-N 3.23Å; L3221-L3225 HydrophobicContact CB-CD1 3.95Å; L3221-L3225 HydrophobicContact CD2-CD1 4.38Å; L3221-L3225 WeakPolarHBondContact O-CB 3.19Å; L3221-L3225 WeakPolarHBondContact O-CD1 3.45Å; L3221-L3225 WeakPolarHBondContact O-CG 3.47Å; L3221-L3225 PolarHBondContact O-N 2.93Å; L3221-L3233 HydrophobicContact CB-CD2 3.66Å; L3221-L3233 HydrophobicContact CD1-CD1 4.38Å; L3221-L3233 HydrophobicContact CD1-CD2 4.47Å |
| 3222 | V | 94.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.4 | -31.7 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 112 | I3218 Q3219 R3230 L3233 M3237 L3258 V3267 | I3218-V3222 HydrophobicContact CG2-CG2 4.35Å; I3218-V3222 WeakPolarHBondContact O-CB 3.19Å; I3218-V3222 VanDerWaalsContact O-CG2 3.27Å; I3218-V3222 WeakPolarHBondContact O-CG2 3.43Å; I3218-V3222 PolarHBondContact O-N 2.69Å; Q3219-V3222 PolarHBondContact O-N 3.41Å; V3222-R3230 WeakPolarHBondContact O-CD 3.47Å; V3222-L3233 HydrophobicContact CG2-CD2 3.86Å; V3222-M3237 HydrophobicContact CG2-CE 4.35Å; V3222-L3258 HydrophobicContact CG2-CD1 4.12Å; V3222-L3258 HydrophobicContact CG2-CD2 4.31Å; V3222-V3267 HydrophobicContact CG1-CB 4.48Å; V3222-V3267 HydrophobicContact CG1-CG1 3.54Å; V3222-V3267 HydrophobicContact CG1-CG2 4.07Å |
| 3223 | L | 91.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 20.8 Ų | 20.8 | 39% | 0.387 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -81.4 | -37.4 | 179.3 | -72.9 | 170.9 | 0 | 0 | 0 | 113.5 | Q3219 S3220 L3221 K3264 | Q3219-L3223 WeakPolarHBondContact O-CB 3.36Å; Q3219-L3223 VanDerWaalsContact O-CG 3.25Å; Q3219-L3223 WeakPolarHBondContact O-CG 3.33Å; Q3219-L3223 PolarHBondContact O-N 2.85Å; S3220-L3223 PolarHBondContact O-N 3.33Å; L3221-L3223 PolarHBondContact O-N 3.35Å; L3223-K3264 HydrophobicContact CD2-CD 4.44Å |
| 3224 | N | 91 | Very high | 93.4 | Very high | 92 Ų | 92 | 20.6 Ų | 20.6 | 49% | 0.492 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -101.1 | -21 | -167.6 | -65.7 | -44.8 | 0 | 0 | 0 | 114.2 | V3019 S3220 L3221 | V3019-N3224 HydrophobicContact CG2-CB 3.67Å; S3220-N3224 VanDerWaalsContact O-CB 3.29Å; S3220-N3224 WeakPolarHBondContact O-CB 3.21Å; S3220-N3224 PolarHBondContact O-N 3.21Å; S3220-N3224 PolarHBondContact O-ND2 2.95Å; S3220-N3224 PolarHBondContact OG-ND2 3.4Å; L3221-N3224 PolarHBondContact O-N 3.23Å |
| 3225 | L | 92.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -70.1 | 148.6 | 172.2 | -70.4 | 166.6 | 0 | 0 | 0 | 110.7 | V3019 Y3177 M3182 L3221 R3230 L3233 | V3019-L3225 HydrophobicContact CG1-CD2 4.02Å; V3019-L3225 HydrophobicContact CG2-CD2 4.3Å; V3019-L3225 HydrophobicContact CG2-CG 4.38Å; Y3177-L3225 HydrophobicContact CD1-CD2 4.17Å; Y3177-L3225 HydrophobicContact CE1-CD2 3.44Å; Y3177-L3225 VanDerWaalsContact CE1-CD2 3.44Å; M3182-L3225 HydrophobicContact CE-CD1 4.19Å; M3182-L3225 HydrophobicContact CE-CD2 4.4Å; L3221-L3225 HydrophobicContact CB-CD1 3.95Å; L3221-L3225 HydrophobicContact CD2-CD1 4.38Å; L3221-L3225 WeakPolarHBondContact O-CB 3.19Å; L3221-L3225 WeakPolarHBondContact O-CD1 3.45Å; L3221-L3225 WeakPolarHBondContact O-CG 3.47Å; L3221-L3225 PolarHBondContact O-N 2.93Å; L3225-R3230 HydrophobicContact CB-CG 3.67Å; L3225-R3230 PolarHBondContact O-NH1 3.39Å; L3225-L3233 HydrophobicContact CD1-CB 4.13Å; L3225-L3233 HydrophobicContact CD1-CD2 3.95Å |
| 3226 | D | 90 | Very high | 93.3 | Very high | 50 Ų | 50 | 21.1 Ų | 21.1 | 27% | 0.267 | 11% | 0.108 | S | C | . | . | trans | -72.9 | -176 | 170.7 | 58.6 | 32.7 | 0 | 0 | 0 | 111.9 | R3023 Y3177 E3228 G3229 R3230 | R3023-D3226 IonicContact NH2-OD2 2.72Å; Y3177-D3226 WeakPolarHBondContact CE2-OD1 3.16Å; Y3177-D3226 WeakPolarHBondContact CE2-OD2 3.26Å; Y3177-D3226 PolarHBondContact OH-OD1 3.45Å; Y3177-D3226 PolarHBondContact OH-OD2 3.13Å; D3226-E3228 VanDerWaalsContact C-N 3.28Å; D3226-E3228 PolarHBondContact O-N 2.78Å; D3226-E3228 PolarHBondContact OD1-N 2.53Å; D3226-G3229 PolarHBondContact O-N 2.98Å; D3226-G3229 PolarHBondContact OD1-N 2.95Å; D3226-R3230 WeakPolarHBondContact O-CB 3.26Å; D3226-R3230 VanDerWaalsContact O-CG 3.3Å; D3226-R3230 WeakPolarHBondContact O-CG 3.42Å; D3226-R3230 PolarHBondContact O-N 3.47Å | ||
| 3227 | N | 89.3 | Confident | 93.4 | Very high | 19 Ų | 19 | 19.3 Ų | 19.3 | 10% | 0.102 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.1 | -39.5 | -176.3 | -65.1 | -8.1 | 0 | 0 | 0 | 112.5 | R3230 Y3231 Q3266 Q3270 | N3227-R3230 PolarHBondContact OD1-NH2 3.43Å; N3227-Y3231 WeakPolarHBondContact O-CB 3.38Å; N3227-Y3231 PolarHBondContact O-N 3.43Å; N3227-Y3231 VanDerWaalsContact O-N 3.13Å; N3227-Q3266 PolarHBondContact OD1-NE2 3.34Å; N3227-Q3270 PolarHBondContact O-NE2 2.96Å; N3227-Q3270 VanDerWaalsContact O-NE2 3.08Å |
| 3228 | E | 87.5 | Confident | 93.5 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 12% | 0.121 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.7 | -52.5 | 179.6 | -176.2 | -168.1 | 151.7 | 0 | 0 | 110.6 | M3175 H3176 Y3177 D3226 R3230 Y3231 L3232 | M3175-E3228 VanDerWaalsContact CA-OE1 3.23Å; M3175-E3228 WeakPolarHBondContact CA-OE1 3.44Å; H3176-E3228 IonicContact CE1-OE2 3.12Å; H3176-E3228 IonicContact CG-OE2 3.04Å; H3176-E3228 PolarHBondContact N-OE1 3.17Å; H3176-E3228 IonicContact ND1-OE2 2.94Å; H3176-E3228 PolarHBondContact ND1-OE2 3.32Å; Y3177-E3228 HydrophobicContact CD2-CG 4.3Å; Y3177-E3228 HydrophobicContact CE2-CB 4.41Å; D3226-E3228 VanDerWaalsContact C-N 3.28Å; D3226-E3228 PolarHBondContact O-N 2.78Å; D3226-E3228 PolarHBondContact OD1-N 2.53Å; E3228-R3230 VanDerWaalsContact C-N 3.3Å; E3228-R3230 PolarHBondContact O-N 2.85Å; E3228-Y3231 WeakPolarHBondContact O-CB 3.45Å; E3228-Y3231 PolarHBondContact O-N 3.32Å; E3228-Y3231 VanDerWaalsContact O-N 3.1Å; E3228-L3232 HydrophobicContact CG-CD1 4.12Å; E3228-L3232 WeakPolarHBondContact O-CG 3.38Å; E3228-L3232 PolarHBondContact O-N 3.33Å |
| 3229 | G | 91 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.1 | -42.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | D3226 L3232 L3233 | D3226-G3229 PolarHBondContact O-N 2.98Å; D3226-G3229 PolarHBondContact OD1-N 2.95Å; G3229-L3232 PolarHBondContact O-N 3.46Å; G3229-L3233 WeakPolarHBondContact O-CB 3.49Å; G3229-L3233 PolarHBondContact O-N 2.84Å |
| 3230 | R | 94.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 17.2 Ų | 17.2 | 7% | 0.068 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 175 | -70.1 | -170.1 | -45.4 | -98.4 | 1.6 | 112.4 | V3222 L3225 D3226 N3227 E3228 L3232 L3233 L3234 Q3266 | V3222-R3230 WeakPolarHBondContact O-CD 3.47Å; L3225-R3230 HydrophobicContact CB-CG 3.67Å; L3225-R3230 PolarHBondContact O-NH1 3.39Å; D3226-R3230 WeakPolarHBondContact O-CB 3.26Å; D3226-R3230 VanDerWaalsContact O-CG 3.3Å; D3226-R3230 WeakPolarHBondContact O-CG 3.42Å; D3226-R3230 PolarHBondContact O-N 3.47Å; N3227-R3230 PolarHBondContact OD1-NH2 3.43Å; E3228-R3230 VanDerWaalsContact C-N 3.3Å; E3228-R3230 PolarHBondContact O-N 2.85Å; R3230-L3232 VanDerWaalsContact C-N 3.3Å; R3230-L3232 PolarHBondContact O-N 3.35Å; R3230-L3233 PolarHBondContact O-N 3.17Å; R3230-L3234 WeakPolarHBondContact O-CB 3.39Å; R3230-L3234 VanDerWaalsContact O-CG 3.24Å; R3230-L3234 WeakPolarHBondContact O-CG 3.38Å; R3230-L3234 PolarHBondContact O-N 2.99Å; R3230-Q3266 VanDerWaalsContact NH2-OE1 3.11Å |
| 3231 | Y | 93.5 | Very high | 93.6 | Very high | 27 Ų | 27 | 16.8 Ų | 16.8 | 11% | 0.106 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 176.2 | 178.2 | -99.6 | 0 | 0 | 0 | 111.2 | N3227 E3228 N3235 V3274 E3277 | N3227-Y3231 WeakPolarHBondContact O-CB 3.38Å; N3227-Y3231 PolarHBondContact O-N 3.43Å; N3227-Y3231 VanDerWaalsContact O-N 3.13Å; E3228-Y3231 WeakPolarHBondContact O-CB 3.45Å; E3228-Y3231 PolarHBondContact O-N 3.32Å; E3228-Y3231 VanDerWaalsContact O-N 3.1Å; Y3231-N3235 WeakPolarHBondContact CD1-ND2 3.45Å; Y3231-N3235 WeakPolarHBondContact CE1-ND2 3.46Å; Y3231-N3235 WeakPolarHBondContact CE2-ND2 3.29Å; Y3231-N3235 WeakPolarHBondContact O-CB 3.21Å; Y3231-N3235 PolarHBondContact O-N 2.9Å; Y3231-N3235 PolarHBondContact O-ND2 3.15Å; Y3231-V3274 HydrophobicContact CD2-CG2 3.69Å; Y3231-V3274 HydrophobicContact CE2-CG2 3.74Å; Y3231-E3277 PolarHBondContact OH-OE2 2.91Å |
| 3232 | L | 92.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 16.8 Ų | 16.8 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.3 | -47.5 | 177.1 | -67.4 | 173.6 | 0 | 0 | 0 | 111.9 | Y3177 I3179 E3228 G3229 R3230 L3234 N3235 C3236 | Y3177-L3232 HydrophobicContact CD2-CD1 4.3Å; Y3177-L3232 HydrophobicContact CG-CD1 4.39Å; I3179-L3232 HydrophobicContact CD1-CD2 4.07Å; I3179-L3232 HydrophobicContact CG1-CD1 4.2Å; I3179-L3232 HydrophobicContact CG1-CD2 4.1Å; E3228-L3232 HydrophobicContact CG-CD1 4.12Å; E3228-L3232 WeakPolarHBondContact O-CG 3.38Å; E3228-L3232 PolarHBondContact O-N 3.33Å; G3229-L3232 PolarHBondContact O-N 3.46Å; R3230-L3232 VanDerWaalsContact C-N 3.3Å; R3230-L3232 PolarHBondContact O-N 3.35Å; L3232-L3234 PolarHBondContact O-N 3.29Å; L3232-N3235 CarbonylContact O-C 3.58Å; L3232-N3235 WeakPolarHBondContact O-CA 3.41Å; L3232-N3235 WeakPolarHBondContact O-CB 3.47Å; L3232-N3235 PolarHBondContact O-N 3.13Å; L3232-N3235 VanDerWaalsContact O-N 3.14Å; L3232-C3236 PolarHBondContact O-N 2.91Å; L3232-C3236 PolarHBondContact O-SG 3.09Å |
| 3233 | L | 95.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 177.6 | 177.6 | 67.9 | 0 | 0 | 0 | 111.7 | M3182 L3221 V3222 L3225 G3229 R3230 N3235 C3236 M3237 | M3182-L3233 HydrophobicContact CG-CD1 4.34Å; M3182-L3233 HydrophobicContact SD-CB 4.16Å; M3182-L3233 HydrophobicContact SD-CD1 3.9Å; L3221-L3233 HydrophobicContact CB-CD2 3.66Å; L3221-L3233 HydrophobicContact CD1-CD1 4.38Å; L3221-L3233 HydrophobicContact CD1-CD2 4.47Å; V3222-L3233 HydrophobicContact CG2-CD2 3.86Å; L3225-L3233 HydrophobicContact CD1-CB 4.13Å; L3225-L3233 HydrophobicContact CD1-CD2 3.95Å; G3229-L3233 WeakPolarHBondContact O-CB 3.49Å; G3229-L3233 PolarHBondContact O-N 2.84Å; R3230-L3233 PolarHBondContact O-N 3.17Å; L3233-N3235 VanDerWaalsContact C-N 3.28Å; L3233-N3235 PolarHBondContact O-N 3.16Å; L3233-C3236 WeakPolarHBondContact O-CB 3.29Å; L3233-C3236 PolarHBondContact O-N 2.77Å; L3233-C3236 VanDerWaalsContact O-N 3.1Å; L3233-M3237 HydrophobicContact CD1-CE 4.3Å; L3233-M3237 HydrophobicContact CD2-CE 3.92Å; L3233-M3237 HydrophobicContact CG-CE 3.61Å; L3233-M3237 WeakPolarHBondContact O-CG 3.5Å; L3233-M3237 PolarHBondContact O-N 3.14Å |
| 3234 | L | 96.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 176.7 | -71.2 | 172.3 | 0 | 0 | 0 | 111.6 | R3230 L3232 M3237 A3238 Q3270 I3271 V3274 | R3230-L3234 WeakPolarHBondContact O-CB 3.39Å; R3230-L3234 VanDerWaalsContact O-CG 3.24Å; R3230-L3234 WeakPolarHBondContact O-CG 3.38Å; R3230-L3234 PolarHBondContact O-N 2.99Å; L3232-L3234 PolarHBondContact O-N 3.29Å; L3234-M3237 HydrophobicContact CD2-CE 3.79Å; L3234-M3237 PolarHBondContact O-N 2.91Å; L3234-A3238 VanDerWaalsContact O-CB 3.32Å; L3234-A3238 WeakPolarHBondContact O-CB 3.36Å; L3234-A3238 PolarHBondContact O-N 3.18Å; L3234-Q3270 HydrophobicContact CD1-CB 3.7Å; L3234-I3271 HydrophobicContact CD1-CG1 3.98Å; L3234-I3271 HydrophobicContact CD2-CD1 4.49Å; L3234-I3271 HydrophobicContact CD2-CG1 3.65Å; L3234-I3271 HydrophobicContact CG-CG1 4.48Å; L3234-V3274 HydrophobicContact CB-CB 4.5Å; L3234-V3274 HydrophobicContact CB-CG1 4.26Å; L3234-V3274 HydrophobicContact CB-CG2 3.99Å |
| 3235 | N | 94.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 11 Ų | 11 | 5% | 0.048 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 171.8 | -88.6 | -72.3 | 0 | 0 | 0 | 112.6 | Y3231 L3232 L3233 M3237 A3238 N3239 R3278 | Y3231-N3235 WeakPolarHBondContact CD1-ND2 3.45Å; Y3231-N3235 WeakPolarHBondContact CE1-ND2 3.46Å; Y3231-N3235 WeakPolarHBondContact CE2-ND2 3.29Å; Y3231-N3235 WeakPolarHBondContact O-CB 3.21Å; Y3231-N3235 PolarHBondContact O-N 2.9Å; Y3231-N3235 PolarHBondContact O-ND2 3.15Å; L3232-N3235 CarbonylContact O-C 3.58Å; L3232-N3235 WeakPolarHBondContact O-CA 3.41Å; L3232-N3235 WeakPolarHBondContact O-CB 3.47Å; L3232-N3235 PolarHBondContact O-N 3.13Å; L3232-N3235 VanDerWaalsContact O-N 3.14Å; L3233-N3235 VanDerWaalsContact C-N 3.28Å; L3233-N3235 PolarHBondContact O-N 3.16Å; N3235-M3237 VanDerWaalsContact C-N 3.31Å; N3235-M3237 PolarHBondContact O-N 3.43Å; N3235-A3238 PolarHBondContact O-N 3.36Å; N3235-N3239 WeakPolarHBondContact O-CB 3.5Å; N3235-N3239 PolarHBondContact O-N 3.3Å; N3235-N3239 PolarHBondContact O-ND2 3.04Å; N3235-N3239 PolarHBondContact O-OD1 2.87Å; N3235-R3278 PolarHBondContact O-NH2 2.99Å; N3235-R3278 PolarHBondContact OD1-NH1 3.34Å; N3235-R3278 PolarHBondContact OD1-NH2 3.31Å |
| 3236 | C | 95.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 2% | 0.02 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 175.1 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | T3183 T3186 L3232 L3233 Q3240 | T3183-C3236 PolarHBondContact OG1-SG 3.27Å; T3183-C3236 VanDerWaalsContact OG1-SG 3.35Å; T3186-C3236 HydrophobicContact CG2-CB 4.12Å; L3232-C3236 PolarHBondContact O-N 2.91Å; L3232-C3236 PolarHBondContact O-SG 3.09Å; L3233-C3236 WeakPolarHBondContact O-CB 3.29Å; L3233-C3236 PolarHBondContact O-N 2.77Å; L3233-C3236 VanDerWaalsContact O-N 3.1Å; C3236-Q3240 WeakPolarHBondContact O-CG 3.43Å; C3236-Q3240 PolarHBondContact O-NE2 2.97Å |
| 3237 | M | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66.3 | -47.8 | 173.8 | -62.3 | -172.5 | -122.4 | 0 | 0 | 111.9 | T3186 I3218 V3222 L3233 L3234 N3235 N3239 Q3240 F3251 T3254 I3255 L3258 | T3186-M3237 HydrophobicContact CG2-CG 4.04Å; I3218-M3237 HydrophobicContact CG2-CE 4.06Å; I3218-M3237 HydrophobicContact CG2-SD 4.37Å; V3222-M3237 HydrophobicContact CG2-CE 4.35Å; L3233-M3237 HydrophobicContact CD1-CE 4.3Å; L3233-M3237 HydrophobicContact CD2-CE 3.92Å; L3233-M3237 HydrophobicContact CG-CE 3.61Å; L3233-M3237 WeakPolarHBondContact O-CG 3.5Å; L3233-M3237 PolarHBondContact O-N 3.14Å; L3234-M3237 HydrophobicContact CD2-CE 3.79Å; L3234-M3237 PolarHBondContact O-N 2.91Å; N3235-M3237 VanDerWaalsContact C-N 3.31Å; N3235-M3237 PolarHBondContact O-N 3.43Å; M3237-N3239 VanDerWaalsContact C-N 3.25Å; M3237-N3239 PolarHBondContact O-N 2.9Å; M3237-Q3240 VanDerWaalsContact O-CB 3.29Å; M3237-Q3240 WeakPolarHBondContact O-CB 3.46Å; M3237-Q3240 WeakPolarHBondContact O-CG 3.28Å; M3237-Q3240 PolarHBondContact O-N 3.33Å; M3237-F3251 HydrophobicContact CB-CD1 3.7Å; M3237-F3251 HydrophobicContact CB-CE1 4.07Å; M3237-F3251 HydrophobicContact CB-CG 4.43Å; M3237-F3251 HydrophobicContact CG-CD1 3.71Å; M3237-F3251 HydrophobicContact CG-CE1 3.65Å; M3237-F3251 HydrophobicContact SD-CD1 4.26Å; M3237-F3251 HydrophobicContact SD-CE1 4.39Å; M3237-T3254 HydrophobicContact SD-CG2 4.21Å; M3237-I3255 HydrophobicContact CB-CD1 4.16Å; M3237-I3255 HydrophobicContact CB-CG1 4.36Å; M3237-I3255 HydrophobicContact SD-CG1 4.41Å; M3237-L3258 HydrophobicContact CE-CD1 3.95Å; M3237-L3258 HydrophobicContact SD-CD1 4.06Å |
| 3238 | A | 96.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 2% | 0.017 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64.8 | -28.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3234 N3235 Q3240 L3241 V3274 R3278 | L3234-A3238 VanDerWaalsContact O-CB 3.32Å; L3234-A3238 WeakPolarHBondContact O-CB 3.36Å; L3234-A3238 PolarHBondContact O-N 3.18Å; N3235-A3238 PolarHBondContact O-N 3.36Å; A3238-Q3240 PolarHBondContact O-N 3.33Å; A3238-Q3240 VanDerWaalsContact O-N 3.15Å; A3238-L3241 WeakPolarHBondContact O-CB 3.42Å; A3238-L3241 PolarHBondContact O-N 3.45Å; A3238-L3241 VanDerWaalsContact O-N 3.12Å; A3238-V3274 HydrophobicContact CB-CG1 3.76Å; A3238-R3278 VanDerWaalsContact CB-CZ 3.43Å; A3238-R3278 VanDerWaalsContact CB-NH1 3.3Å |
| 3239 | N | 95.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 7.1 Ų | 7.1 | 3% | 0.027 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.2 | 171.6 | -67.7 | -20.9 | 0 | 0 | 0 | 113 | R2951 L2955 N3235 M3237 R3242 R3278 | R2951-N3239 PolarHBondContact NH1-ND2 3.44Å; L2955-N3239 HydrophobicContact CD1-CB 4.38Å; L2955-N3239 HydrophobicContact CD2-CB 4.35Å; L2955-N3239 WeakPolarHBondContact CD2-O 3.45Å; N3235-N3239 WeakPolarHBondContact O-CB 3.5Å; N3235-N3239 PolarHBondContact O-N 3.3Å; N3235-N3239 PolarHBondContact O-ND2 3.04Å; N3235-N3239 PolarHBondContact O-OD1 2.87Å; M3237-N3239 VanDerWaalsContact C-N 3.25Å; M3237-N3239 PolarHBondContact O-N 2.9Å; N3239-R3242 WeakPolarHBondContact O-CG 3.24Å; N3239-R3278 PolarHBondContact OD1-NH2 2.93Å |
| 3240 | Q | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.009 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -11.2 | 177.3 | -45.9 | -50.3 | -39 | 0 | 0 | 112.8 | Y2936 L3187 C3236 M3237 A3238 R3242 T3248 F3251 | Y2936-Q3240 PolarHBondContact OH-OE1 3.12Å; L3187-Q3240 HydrophobicContact CD2-CG 4.49Å; L3187-Q3240 VanDerWaalsContact CD2-OE1 3.31Å; C3236-Q3240 WeakPolarHBondContact O-CG 3.43Å; C3236-Q3240 PolarHBondContact O-NE2 2.97Å; M3237-Q3240 VanDerWaalsContact O-CB 3.29Å; M3237-Q3240 WeakPolarHBondContact O-CB 3.46Å; M3237-Q3240 WeakPolarHBondContact O-CG 3.28Å; M3237-Q3240 PolarHBondContact O-N 3.33Å; A3238-Q3240 PolarHBondContact O-N 3.33Å; A3238-Q3240 VanDerWaalsContact O-N 3.15Å; Q3240-R3242 PolarHBondContact O-N 3.47Å; Q3240-T3248 WeakPolarHBondContact O-CA 3.1Å; Q3240-T3248 PolarHBondContact O-OG1 2.86Å; Q3240-F3251 HydrophobicContact CB-CB 4.19Å; Q3240-F3251 HydrophobicContact CB-CD2 3.29Å; Q3240-F3251 HydrophobicContact CB-CE2 3.89Å; Q3240-F3251 HydrophobicContact CB-CG 3.95Å; Q3240-F3251 HydrophobicContact CG-CD2 3.4Å; Q3240-F3251 HydrophobicContact CG-CE2 3.44Å; Q3240-F3251 VanDerWaalsContact CG-CE2 3.44Å; Q3240-F3251 HydrophobicContact CG-CG 4.14Å; Q3240-F3251 HydrophobicContact CG-CZ 4.23Å |
| 3241 | L | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | trans | -77.4 | 64.6 | -179.8 | -58.5 | -177.9 | 0 | 0 | 0 | 111.7 | A3238 F3251 I3255 L3275 P3286 L3289 T3292 | A3238-L3241 WeakPolarHBondContact O-CB 3.42Å; A3238-L3241 PolarHBondContact O-N 3.45Å; A3238-L3241 VanDerWaalsContact O-N 3.12Å; L3241-F3251 HydrophobicContact CD2-CB 4.15Å; L3241-I3255 HydrophobicContact CD1-CD1 3.86Å; L3241-I3255 HydrophobicContact CD2-CD1 4.38Å; L3241-I3255 HydrophobicContact CG-CD1 4.31Å; L3241-L3275 HydrophobicContact CD1-CD2 4Å; L3241-P3286 WeakPolarHBondContact O-CB 3.27Å; L3241-L3289 HydrophobicContact CB-CB 4.37Å; L3241-L3289 HydrophobicContact CD1-CD1 4.29Å; L3241-L3289 PolarHBondContact O-N 2.87Å; L3241-T3292 HydrophobicContact CD1-CG2 4.34Å | ||
| 3242 | R | 93.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 5 Ų | 5 | 2% | 0.015 | 3% | 0.026 | C | C | . | . | trans | -98.4 | -112.6 | -169.5 | -62 | -172.4 | -62.9 | 144.2 | -1.8 | 112.4 | S2933 Y2936 L2955 N3239 Q3240 T3248 W3287 G3288 | S2933-R3242 PolarHBondContact O-NH1 3.44Å; S2933-R3242 PolarHBondContact OG-NH1 2.94Å; Y2936-R3242 VanDerWaalsContact CD1-CZ 3.43Å; Y2936-R3242 VanDerWaalsContact CZ-CZ 3.42Å; L2955-R3242 HydrophobicContact CB-CG 4.38Å; L2955-R3242 HydrophobicContact CD2-CG 3.9Å; N3239-R3242 WeakPolarHBondContact O-CG 3.24Å; Q3240-R3242 PolarHBondContact O-N 3.47Å; R3242-T3248 PolarHBondContact N-OG1 3.22Å; R3242-W3287 CarbonylContact O-C 3.25Å; R3242-W3287 WeakPolarHBondContact O-CA 3.43Å; R3242-W3287 VanDerWaalsContact O-CB 3.29Å; R3242-W3287 WeakPolarHBondContact O-CB 3.4Å; R3242-W3287 PolarHBondContact O-N 3.34Å; R3242-G3288 PolarHBondContact O-N 2.86Å | ||
| 3243 | Y | 90.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 6.5 Ų | 6.5 | 7% | 0.067 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -95.3 | 168.3 | 171.3 | 60.5 | -91.5 | 0 | 0 | 0 | 110.3 | S2933 L2958 P2959 I2963 N3245 T3248 | S2933-Y3243 VanDerWaalsContact OG-CE1 3.23Å; S2933-Y3243 WeakPolarHBondContact OG-CE1 3.4Å; S2933-Y3243 PolarHBondContact OG-OH 3.48Å; L2958-Y3243 HydrophobicContact CD1-CG 4.21Å; P2959-Y3243 HydrophobicContact CG-CD1 4.28Å; P2959-Y3243 HydrophobicContact CG-CE1 3.8Å; P2959-Y3243 HydrophobicContact CG-CE2 4.1Å; I2963-Y3243 HydrophobicContact CD1-CD2 3.35Å; I2963-Y3243 HydrophobicContact CD1-CE2 3.84Å; I2963-Y3243 HydrophobicContact CD1-CG 4.08Å; Y3243-N3245 HydrophobicContact CD2-CB 4.24Å; Y3243-N3245 HydrophobicContact CE2-CB 3.85Å; Y3243-N3245 WeakPolarHBondContact CE2-ND2 2.99Å; Y3243-N3245 PolarHBondContact O-N 2.74Å; Y3243-N3245 PolarHBondContact O-ND2 2.94Å; Y3243-T3248 VanDerWaalsContact O-CB 3.31Å; Y3243-T3248 WeakPolarHBondContact O-CB 3.49Å; Y3243-T3248 PolarHBondContact O-OG1 3.11Å |
| 3244 | P | 88.6 | Confident | 94.2 | Very high | 28 Ų | 28 | 6.4 Ų | 6.4 | 18% | 0.182 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -55.1 | 110.7 | 175.6 | -24.6 | 32.3 | 0 | 0 | 0 | 112.5 | I2963 Y3249 W3287 | I2963-P3244 HydrophobicContact CG2-CB 4.17Å; I2963-P3244 HydrophobicContact CG2-CG 3.78Å; P3244-Y3249 HydrophobicContact CB-CE2 4.28Å; P3244-W3287 HydrophobicContact CB-CH2 4.37Å; P3244-W3287 HydrophobicContact CB-CZ3 4.27Å; P3244-W3287 HydrophobicContact CG-CD2 3.75Å; P3244-W3287 HydrophobicContact CG-CE3 3.74Å; P3244-W3287 HydrophobicContact CG-CG 4.5Å; P3244-W3287 HydrophobicContact CG-CH2 3.82Å; P3244-W3287 HydrophobicContact CG-CZ2 3.76Å; P3244-W3287 HydrophobicContact CG-CZ3 3.79Å |
| 3245 | N | 89.4 | Confident | 94.2 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 2% | 0.016 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -160.1 | 169 | 174 | 62.5 | 61.1 | 0 | 0 | 0 | 109.4 | E2981 Y3243 H3247 T3248 Y3249 | E2981-N3245 WeakPolarHBondContact O-CA 3.29Å; Y3243-N3245 HydrophobicContact CD2-CB 4.24Å; Y3243-N3245 HydrophobicContact CE2-CB 3.85Å; Y3243-N3245 WeakPolarHBondContact CE2-ND2 2.99Å; Y3243-N3245 PolarHBondContact O-N 2.74Å; Y3243-N3245 PolarHBondContact O-ND2 2.94Å; N3245-H3247 VanDerWaalsContact C-N 3.31Å; N3245-H3247 PolarHBondContact O-N 3.38Å; N3245-H3247 WeakPolarHBondContact OD1-CA 3.07Å; N3245-H3247 WeakPolarHBondContact OD1-CB 3.47Å; N3245-H3247 PolarHBondContact OD1-N 3.26Å; N3245-T3248 PolarHBondContact ND2-OG1 3.35Å; N3245-T3248 PolarHBondContact O-N 2.73Å; N3245-T3248 PolarHBondContact OD1-N 3.07Å; N3245-T3248 PolarHBondContact OD1-OG1 3.29Å; N3245-Y3249 VanDerWaalsContact O-CD2 3.24Å; N3245-Y3249 WeakPolarHBondContact O-CD2 3.43Å; N3245-Y3249 PolarHBondContact O-N 3.37Å |
| 3246 | S | 91.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -55.7 | -39.8 | -177.4 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | E2981 D2982 Y3250 | E2981-S3246 PolarHBondContact O-N 3.2Å; D2982-S3246 WeakPolarHBondContact CA-OG 2.85Å; D2982-S3246 VanDerWaalsContact OD1-CB 3.3Å; D2982-S3246 WeakPolarHBondContact OD1-CB 3.39Å; D2982-S3246 PolarHBondContact OD1-OG 3.32Å; S3246-Y3250 WeakPolarHBondContact O-CB 3.35Å; S3246-Y3250 PolarHBondContact O-N 3Å |
| 3247 | H | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 178.5 | -70.8 | -158.9 | 0 | 0 | 0 | 112 | P2983 I3194 N3245 Y3249 Y3250 F3251 | P2983-H3247 HydrophobicContact CG-CB 4.1Å; P2983-H3247 VanDerWaalsContact CG-CG 3.49Å; I3194-H3247 VanDerWaalsContact CD1-CD2 3.49Å; I3194-H3247 WeakPolarHBondContact CD1-CD2 3.5Å; N3245-H3247 VanDerWaalsContact C-N 3.31Å; N3245-H3247 PolarHBondContact O-N 3.38Å; N3245-H3247 WeakPolarHBondContact OD1-CA 3.07Å; N3245-H3247 WeakPolarHBondContact OD1-CB 3.47Å; N3245-H3247 PolarHBondContact OD1-N 3.26Å; H3247-Y3249 VanDerWaalsContact C-N 3.33Å; H3247-Y3249 PolarHBondContact O-N 3.46Å; H3247-Y3250 PolarHBondContact O-N 3.46Å; H3247-F3251 WeakPolarHBondContact O-CD2 3.47Å; H3247-F3251 PolarHBondContact O-N 3.43Å |
| 3248 | T | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 178.2 | -65 | 0 | 0 | 0 | 0 | 110.7 | Q3240 R3242 Y3243 N3245 S3252 W3287 | Q3240-T3248 WeakPolarHBondContact O-CA 3.1Å; Q3240-T3248 PolarHBondContact O-OG1 2.86Å; R3242-T3248 PolarHBondContact N-OG1 3.22Å; Y3243-T3248 VanDerWaalsContact O-CB 3.31Å; Y3243-T3248 WeakPolarHBondContact O-CB 3.49Å; Y3243-T3248 PolarHBondContact O-OG1 3.11Å; N3245-T3248 PolarHBondContact ND2-OG1 3.35Å; N3245-T3248 PolarHBondContact O-N 2.73Å; N3245-T3248 PolarHBondContact OD1-N 3.07Å; N3245-T3248 PolarHBondContact OD1-OG1 3.29Å; T3248-S3252 WeakPolarHBondContact O-CB 3.3Å; T3248-S3252 PolarHBondContact O-N 3.31Å; T3248-W3287 HydrophobicContact CG2-CE3 4.34Å; T3248-W3287 HydrophobicContact CG2-CZ3 4.23Å |
| 3249 | Y | 92.6 | Very high | 94 | Very high | 15 Ų | 15 | 7.4 Ų | 7.4 | 6% | 0.059 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -68.5 | -42.9 | 177.9 | -74.6 | -75.6 | 0 | 0 | 0 | 112.1 | V2974 L2980 P3244 N3245 H3247 F3251 S3252 Y3253 M3291 | V2974-Y3249 HydrophobicContact CB-CE1 4.46Å; V2974-Y3249 HydrophobicContact CG2-CD1 3.92Å; V2974-Y3249 HydrophobicContact CG2-CD2 4.32Å; V2974-Y3249 HydrophobicContact CG2-CE1 3.44Å; V2974-Y3249 VanDerWaalsContact CG2-CE1 3.44Å; V2974-Y3249 HydrophobicContact CG2-CE2 3.9Å; V2974-Y3249 HydrophobicContact CG2-CG 4.34Å; V2974-Y3249 VanDerWaalsContact CG2-CZ 3.42Å; L2980-Y3249 HydrophobicContact CD1-CD2 3.81Å; L2980-Y3249 HydrophobicContact CD1-CG 4.17Å; L2980-Y3249 HydrophobicContact CD2-CD2 3.54Å; L2980-Y3249 HydrophobicContact CD2-CE2 3.53Å; L2980-Y3249 HydrophobicContact CG-CD2 4.35Å; P3244-Y3249 HydrophobicContact CB-CE2 4.28Å; N3245-Y3249 VanDerWaalsContact O-CD2 3.24Å; N3245-Y3249 WeakPolarHBondContact O-CD2 3.43Å; N3245-Y3249 PolarHBondContact O-N 3.37Å; H3247-Y3249 VanDerWaalsContact C-N 3.33Å; H3247-Y3249 PolarHBondContact O-N 3.46Å; Y3249-F3251 PolarHBondContact O-N 3.12Å; Y3249-S3252 PolarHBondContact O-N 3.09Å; Y3249-Y3253 HydrophobicContact CD1-CE2 4.42Å; Y3249-Y3253 WeakPolarHBondContact O-CD2 3.23Å; Y3249-Y3253 PolarHBondContact O-N 3.36Å; Y3249-M3291 HydrophobicContact CD1-CE 4.03Å; Y3249-M3291 HydrophobicContact CE1-CE 3.97Å |
| 3250 | Y | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 177.9 | 177.7 | -92.9 | 0 | 0 | 0 | 111.6 | C3190 A3193 I3194 L3204 I3209 S3246 H3247 Y3253 T3254 | C3190-Y3250 HydrophobicContact CB-CD1 3.95Å; C3190-Y3250 HydrophobicContact CB-CE1 4.01Å; C3190-Y3250 WeakPolarHBondContact SG-CD1 3.5Å; A3193-Y3250 HydrophobicContact CB-CD2 4.24Å; A3193-Y3250 HydrophobicContact CB-CE2 3.4Å; A3193-Y3250 WeakPolarHBondContact CB-OH 3.23Å; I3194-Y3250 HydrophobicContact CD1-CG 4.38Å; I3194-Y3250 HydrophobicContact CG1-CD2 4.18Å; I3194-Y3250 HydrophobicContact CG1-CG 4.26Å; L3204-Y3250 HydrophobicContact CD1-CD2 3.92Å; I3209-Y3250 HydrophobicContact CD1-CD2 3.99Å; I3209-Y3250 HydrophobicContact CD1-CE2 4.23Å; I3209-Y3250 HydrophobicContact CG1-CD2 4.18Å; I3209-Y3250 HydrophobicContact CG1-CE2 4.05Å; I3209-Y3250 HydrophobicContact CG2-CE2 3.96Å; S3246-Y3250 WeakPolarHBondContact O-CB 3.35Å; S3246-Y3250 PolarHBondContact O-N 3Å; H3247-Y3250 PolarHBondContact O-N 3.46Å; Y3250-Y3253 PolarHBondContact O-N 2.69Å; Y3250-T3254 WeakPolarHBondContact O-CB 3.32Å; Y3250-T3254 PolarHBondContact O-N 2.94Å; Y3250-T3254 PolarHBondContact O-OG1 3.09Å |
| 3251 | F | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.8 | -29.4 | 179.8 | -79.3 | -65.4 | 0 | 0 | 0 | 113.6 | T3186 C3190 M3237 Q3240 L3241 H3247 Y3249 T3254 I3255 | T3186-F3251 HydrophobicContact CG2-CE1 3.71Å; T3186-F3251 HydrophobicContact CG2-CZ 3.5Å; T3186-F3251 VanDerWaalsContact CG2-CZ 3.5Å; C3190-F3251 HydrophobicContact CB-CD2 4.37Å; C3190-F3251 HydrophobicContact CB-CE2 3.34Å; C3190-F3251 HydrophobicContact CB-CZ 3.49Å; C3190-F3251 VanDerWaalsContact CB-CZ 3.49Å; C3190-F3251 WeakPolarHBondContact SG-CE2 3.17Å; M3237-F3251 HydrophobicContact CB-CD1 3.7Å; M3237-F3251 HydrophobicContact CB-CE1 4.07Å; M3237-F3251 HydrophobicContact CB-CG 4.43Å; M3237-F3251 HydrophobicContact CG-CD1 3.71Å; M3237-F3251 HydrophobicContact CG-CE1 3.65Å; M3237-F3251 HydrophobicContact SD-CD1 4.26Å; M3237-F3251 HydrophobicContact SD-CE1 4.39Å; Q3240-F3251 HydrophobicContact CB-CB 4.19Å; Q3240-F3251 HydrophobicContact CB-CD2 3.29Å; Q3240-F3251 HydrophobicContact CB-CE2 3.89Å; Q3240-F3251 HydrophobicContact CB-CG 3.95Å; Q3240-F3251 HydrophobicContact CG-CD2 3.4Å; Q3240-F3251 HydrophobicContact CG-CE2 3.44Å; Q3240-F3251 VanDerWaalsContact CG-CE2 3.44Å; Q3240-F3251 HydrophobicContact CG-CG 4.14Å; Q3240-F3251 HydrophobicContact CG-CZ 4.23Å; L3241-F3251 HydrophobicContact CD2-CB 4.15Å; H3247-F3251 WeakPolarHBondContact O-CD2 3.47Å; H3247-F3251 PolarHBondContact O-N 3.43Å; Y3249-F3251 PolarHBondContact O-N 3.12Å; F3251-T3254 PolarHBondContact O-N 3.22Å; F3251-I3255 WeakPolarHBondContact O-CB 3.41Å; F3251-I3255 WeakPolarHBondContact O-CD1 3.17Å; F3251-I3255 VanDerWaalsContact O-CG1 3.23Å; F3251-I3255 WeakPolarHBondContact O-CG1 3.41Å; F3251-I3255 PolarHBondContact O-N 3.29Å |
| 3252 | S | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.007 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.5 | -54.3 | 169.8 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | T3248 Y3249 T3254 I3255 L3256 M3291 T3292 | T3248-S3252 WeakPolarHBondContact O-CB 3.3Å; T3248-S3252 PolarHBondContact O-N 3.31Å; Y3249-S3252 PolarHBondContact O-N 3.09Å; S3252-T3254 VanDerWaalsContact C-N 3.35Å; S3252-T3254 PolarHBondContact O-N 3.12Å; S3252-I3255 PolarHBondContact O-N 2.93Å; S3252-L3256 VanDerWaalsContact O-CG 3.28Å; S3252-L3256 WeakPolarHBondContact O-CG 3.12Å; S3252-L3256 PolarHBondContact O-N 2.8Å; S3252-M3291 PolarHBondContact OG-SD 3.09Å; S3252-M3291 VanDerWaalsContact OG-SD 3.39Å; S3252-T3292 VanDerWaalsContact CB-OG1 3.27Å; S3252-T3292 WeakPolarHBondContact CB-OG1 3.42Å; S3252-T3292 PolarHBondContact OG-OG1 3.11Å |
| 3253 | Y | 94.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 20.2 Ų | 20.2 | 15% | 0.145 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 177.3 | -66.1 | -50.8 | 0 | 0 | 0 | 113 | L3204 M3206 I3209 Y3249 Y3250 L3256 Y3257 | L3204-Y3253 HydrophobicContact CD2-CD2 4.41Å; L3204-Y3253 HydrophobicContact CD2-CE2 4.46Å; L3204-Y3253 HydrophobicContact CG-CD2 4.02Å; L3204-Y3253 HydrophobicContact CG-CE2 4.2Å; L3204-Y3253 VanDerWaalsContact O-CE2 3.28Å; L3204-Y3253 WeakPolarHBondContact O-CE2 3.47Å; M3206-Y3253 HydrophobicContact CG-CD1 3.85Å; M3206-Y3253 HydrophobicContact CG-CG 4.3Å; I3209-Y3253 HydrophobicContact CD1-CD2 4.34Å; I3209-Y3253 HydrophobicContact CD1-CG 4.37Å; Y3249-Y3253 HydrophobicContact CD1-CE2 4.42Å; Y3249-Y3253 WeakPolarHBondContact O-CD2 3.23Å; Y3249-Y3253 PolarHBondContact O-N 3.36Å; Y3250-Y3253 PolarHBondContact O-N 2.69Å; Y3253-L3256 PolarHBondContact O-N 3.3Å; Y3253-Y3257 WeakPolarHBondContact O-CB 3.45Å; Y3253-Y3257 PolarHBondContact O-N 2.99Å |
| 3254 | T | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | M3215 I3218 M3237 Y3250 F3251 S3252 Y3257 L3258 | M3215-T3254 HydrophobicContact CE-CG2 4.18Å; M3215-T3254 HydrophobicContact SD-CG2 4.09Å; I3218-T3254 HydrophobicContact CD1-CG2 3.94Å; I3218-T3254 HydrophobicContact CG2-CG2 4.24Å; M3237-T3254 HydrophobicContact SD-CG2 4.21Å; Y3250-T3254 WeakPolarHBondContact O-CB 3.32Å; Y3250-T3254 PolarHBondContact O-N 2.94Å; Y3250-T3254 PolarHBondContact O-OG1 3.09Å; F3251-T3254 PolarHBondContact O-N 3.22Å; S3252-T3254 VanDerWaalsContact C-N 3.35Å; S3252-T3254 PolarHBondContact O-N 3.12Å; T3254-Y3257 PolarHBondContact O-N 3.48Å; T3254-L3258 HydrophobicContact CG2-CD1 4.21Å; T3254-L3258 WeakPolarHBondContact O-CB 3.19Å; T3254-L3258 VanDerWaalsContact O-CG 3.28Å; T3254-L3258 WeakPolarHBondContact O-CG 3.34Å; T3254-L3258 PolarHBondContact O-N 2.83Å |
| 3255 | I | 96.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -45 | 179.1 | -72.4 | 166.6 | 0 | 0 | 0 | 110.9 | M3237 L3241 F3251 S3252 Y3257 L3258 F3259 I3271 L3275 T3292 | M3237-I3255 HydrophobicContact CB-CD1 4.16Å; M3237-I3255 HydrophobicContact CB-CG1 4.36Å; M3237-I3255 HydrophobicContact SD-CG1 4.41Å; L3241-I3255 HydrophobicContact CD1-CD1 3.86Å; L3241-I3255 HydrophobicContact CD2-CD1 4.38Å; L3241-I3255 HydrophobicContact CG-CD1 4.31Å; F3251-I3255 WeakPolarHBondContact O-CB 3.41Å; F3251-I3255 WeakPolarHBondContact O-CD1 3.17Å; F3251-I3255 VanDerWaalsContact O-CG1 3.23Å; F3251-I3255 WeakPolarHBondContact O-CG1 3.41Å; F3251-I3255 PolarHBondContact O-N 3.29Å; S3252-I3255 PolarHBondContact O-N 2.93Å; I3255-Y3257 VanDerWaalsContact C-N 3.3Å; I3255-Y3257 PolarHBondContact O-N 3.33Å; I3255-L3258 PolarHBondContact O-N 3.46Å; I3255-F3259 WeakPolarHBondContact O-CB 3.29Å; I3255-F3259 PolarHBondContact O-N 3.46Å; I3255-I3271 HydrophobicContact CG2-CG2 3.7Å; I3255-L3275 HydrophobicContact CG2-CD1 4.43Å; I3255-T3292 HydrophobicContact CG2-CG2 4.37Å |
| 3256 | L | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | 177.4 | -67.7 | 171.1 | 0 | 0 | 0 | 111.6 | M3206 S3252 Y3253 F3259 S3260 T3292 E3295 L3296 Y3302 | M3206-L3256 HydrophobicContact CE-CB 4.18Å; M3206-L3256 HydrophobicContact SD-CB 4.08Å; S3252-L3256 VanDerWaalsContact O-CG 3.28Å; S3252-L3256 WeakPolarHBondContact O-CG 3.12Å; S3252-L3256 PolarHBondContact O-N 2.8Å; Y3253-L3256 PolarHBondContact O-N 3.3Å; L3256-F3259 PolarHBondContact O-N 3.31Å; L3256-S3260 PolarHBondContact O-N 2.75Å; L3256-S3260 PolarHBondContact O-OG 3.37Å; L3256-T3292 HydrophobicContact CD2-CG2 4.3Å; L3256-T3292 HydrophobicContact CG-CG2 4.19Å; L3256-E3295 HydrophobicContact CD1-CB 4.34Å; L3256-E3295 HydrophobicContact CD1-CG 3.75Å; L3256-E3295 HydrophobicContact CD2-CG 4.32Å; L3256-L3296 HydrophobicContact CD2-CB 4.04Å; L3256-L3296 HydrophobicContact CD2-CD1 4.4Å; L3256-Y3302 HydrophobicContact CB-CE1 4.03Å; L3256-Y3302 HydrophobicContact CD2-CE1 4.2Å; L3256-Y3302 HydrophobicContact CD2-CE2 4.05Å |
| 3257 | Y | 95.2 | Very high | 93.3 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 12% | 0.122 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | 176.4 | 175.5 | -102.4 | 0 | 0 | 0 | 112.4 | M3206 A3210 M3215 Q3219 Y3253 T3254 I3255 F3259 S3260 E3261 | M3206-Y3257 VanDerWaalsContact CE-CA 3.5Å; M3206-Y3257 HydrophobicContact CE-CD2 4.47Å; A3210-Y3257 HydrophobicContact CB-CD2 4.26Å; A3210-Y3257 HydrophobicContact CB-CE1 4.18Å; A3210-Y3257 HydrophobicContact CB-CE2 3.48Å; A3210-Y3257 VanDerWaalsContact CB-CE2 3.48Å; A3210-Y3257 VanDerWaalsContact CB-CZ 3.46Å; M3215-Y3257 HydrophobicContact CE-CD1 3.54Å; M3215-Y3257 HydrophobicContact CE-CE1 3.73Å; M3215-Y3257 HydrophobicContact CG-CD1 4.25Å; M3215-Y3257 HydrophobicContact CG-CE1 3.81Å; M3215-Y3257 HydrophobicContact SD-CD1 3.77Å; M3215-Y3257 HydrophobicContact SD-CE1 3.95Å; Q3219-Y3257 PolarHBondContact NE2-OH 3.01Å; Y3253-Y3257 WeakPolarHBondContact O-CB 3.45Å; Y3253-Y3257 PolarHBondContact O-N 2.99Å; T3254-Y3257 PolarHBondContact O-N 3.48Å; I3255-Y3257 VanDerWaalsContact C-N 3.3Å; I3255-Y3257 PolarHBondContact O-N 3.33Å; Y3257-F3259 VanDerWaalsContact C-N 3.29Å; Y3257-F3259 PolarHBondContact O-N 3.13Å; Y3257-S3260 PolarHBondContact O-N 2.89Å; Y3257-S3260 PolarHBondContact O-OG 2.79Å; Y3257-S3260 VanDerWaalsContact O-OG 3.09Å; Y3257-E3261 HydrophobicContact CD2-CG 3.7Å; Y3257-E3261 HydrophobicContact CE1-CG 4.34Å; Y3257-E3261 HydrophobicContact CE2-CB 4.36Å; Y3257-E3261 HydrophobicContact CE2-CG 3.24Å; Y3257-E3261 HydrophobicContact CG-CG 4.39Å; Y3257-E3261 WeakPolarHBondContact O-CB 3.41Å; Y3257-E3261 PolarHBondContact O-N 3.06Å |
| 3258 | L | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | 171.8 | -72 | 172.5 | 0 | 0 | 0 | 111.1 | M3215 I3218 Q3219 V3222 M3237 T3254 I3255 Q3262 I3271 | M3215-L3258 HydrophobicContact CE-CD1 4.49Å; M3215-L3258 HydrophobicContact CE-CD2 3.41Å; M3215-L3258 VanDerWaalsContact CE-CD2 3.41Å; M3215-L3258 HydrophobicContact CE-CG 3.78Å; I3218-L3258 HydrophobicContact CG2-CD1 3.92Å; I3218-L3258 HydrophobicContact CG2-CD2 4.44Å; Q3219-L3258 HydrophobicContact CG-CD2 4.22Å; V3222-L3258 HydrophobicContact CG2-CD1 4.12Å; V3222-L3258 HydrophobicContact CG2-CD2 4.31Å; M3237-L3258 HydrophobicContact CE-CD1 3.95Å; M3237-L3258 HydrophobicContact SD-CD1 4.06Å; T3254-L3258 HydrophobicContact CG2-CD1 4.21Å; T3254-L3258 WeakPolarHBondContact O-CB 3.19Å; T3254-L3258 VanDerWaalsContact O-CG 3.28Å; T3254-L3258 WeakPolarHBondContact O-CG 3.34Å; T3254-L3258 PolarHBondContact O-N 2.83Å; I3255-L3258 PolarHBondContact O-N 3.46Å; L3258-Q3262 HydrophobicContact CB-CG 4.45Å; L3258-Q3262 HydrophobicContact CD2-CG 4.3Å; L3258-Q3262 WeakPolarHBondContact O-CB 3.28Å; L3258-Q3262 WeakPolarHBondContact O-CG 3.36Å; L3258-Q3262 PolarHBondContact O-N 3.46Å; L3258-Q3262 VanDerWaalsContact O-N 3.09Å; L3258-I3271 HydrophobicContact CB-CD1 3.9Å |
| 3259 | F | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.4 | -169.1 | -84.6 | 0 | 0 | 0 | 112.5 | I3255 L3256 Y3257 K3268 I3271 L3296 Y3302 F3304 H3307 F3309 | I3255-F3259 WeakPolarHBondContact O-CB 3.29Å; I3255-F3259 PolarHBondContact O-N 3.46Å; L3256-F3259 PolarHBondContact O-N 3.31Å; Y3257-F3259 VanDerWaalsContact C-N 3.29Å; Y3257-F3259 PolarHBondContact O-N 3.13Å; F3259-K3268 HydrophobicContact CD2-CB 4Å; F3259-K3268 HydrophobicContact CD2-CG 4.22Å; F3259-K3268 HydrophobicContact CE1-CD 4.48Å; F3259-K3268 HydrophobicContact CE2-CB 3.7Å; F3259-K3268 HydrophobicContact CE2-CD 4.46Å; F3259-K3268 HydrophobicContact CE2-CG 4.23Å; F3259-K3268 HydrophobicContact CZ-CB 4.28Å; F3259-K3268 HydrophobicContact CZ-CD 4.35Å; F3259-K3268 WeakPolarHBondContact O-CE 3.28Å; F3259-K3268 PolarHBondContact O-NZ 3.04Å; F3259-I3271 HydrophobicContact CB-CD1 4.26Å; F3259-I3271 HydrophobicContact CD2-CB 4.34Å; F3259-I3271 HydrophobicContact CD2-CG2 4.08Å; F3259-L3296 HydrophobicContact CB-CD1 4.36Å; F3259-L3296 HydrophobicContact CD1-CD1 3.51Å; F3259-L3296 HydrophobicContact CD2-CD1 4Å; F3259-L3296 HydrophobicContact CD2-CD2 4.43Å; F3259-L3296 HydrophobicContact CE1-CD1 3.71Å; F3259-L3296 HydrophobicContact CE2-CD1 4.15Å; F3259-L3296 HydrophobicContact CE2-CD2 4.49Å; F3259-L3296 HydrophobicContact CG-CD1 3.67Å; F3259-L3296 HydrophobicContact CZ-CD1 4.02Å; F3259-Y3302 HydrophobicContact CD1-CD1 4.28Å; F3259-Y3302 WeakPolarHBondContact CE1-O 3.21Å; F3259-F3304 HydrophobicContact CE2-CD2 4.23Å; F3259-F3304 AromaticContact CZ-CD2 3.82Å; F3259-F3304 HydrophobicContact CZ-CD2 3.82Å; F3259-H3307 AromaticContact CZ-CD2 3.91Å; F3259-F3309 HydrophobicContact CE2-CZ 4.05Å; F3259-F3309 HydrophobicContact CZ-CZ 4.11Å |
| 3260 | S | 93.3 | Very high | 93.3 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 30% | 0.301 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -72.6 | -46.6 | -179.7 | 69 | 0 | 0 | 0 | 0 | 112.8 | L3256 Y3257 | L3256-S3260 PolarHBondContact O-N 2.75Å; L3256-S3260 PolarHBondContact O-OG 3.37Å; Y3257-S3260 PolarHBondContact O-N 2.89Å; Y3257-S3260 PolarHBondContact O-OG 2.79Å; Y3257-S3260 VanDerWaalsContact O-OG 3.09Å |
| 3261 | E | 91.3 | Very high | 93.3 | Very high | 117 Ų | 117 | 33.6 Ų | 33.6 | 55% | 0.547 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -90.3 | -22.5 | -170.6 | -62.9 | -53.2 | 122.1 | 0 | 0 | 114.6 | Y3257 S3263 | Y3257-E3261 HydrophobicContact CD2-CG 3.7Å; Y3257-E3261 HydrophobicContact CE1-CG 4.34Å; Y3257-E3261 HydrophobicContact CE2-CB 4.36Å; Y3257-E3261 HydrophobicContact CE2-CG 3.24Å; Y3257-E3261 HydrophobicContact CG-CG 4.39Å; Y3257-E3261 WeakPolarHBondContact O-CB 3.41Å; Y3257-E3261 PolarHBondContact O-N 3.06Å; E3261-S3263 PolarHBondContact O-N 2.75Å |
| 3262 | Q | 90.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | trans | -69.7 | 123.5 | -178.9 | -72.2 | -70 | -36.5 | 0 | 0 | 110.7 | L3258 V3267 K3268 | L3258-Q3262 HydrophobicContact CB-CG 4.45Å; L3258-Q3262 HydrophobicContact CD2-CG 4.3Å; L3258-Q3262 WeakPolarHBondContact O-CB 3.28Å; L3258-Q3262 WeakPolarHBondContact O-CG 3.36Å; L3258-Q3262 PolarHBondContact O-N 3.46Å; L3258-Q3262 VanDerWaalsContact O-N 3.09Å; Q3262-V3267 HydrophobicContact CB-CB 4.38Å; Q3262-V3267 HydrophobicContact CB-CG1 4.28Å; Q3262-V3267 HydrophobicContact CG-CG1 4Å; Q3262-K3268 WeakPolarHBondContact O-CE 3.5Å | ||
| 3263 | S | 88.1 | Confident | 93.1 | Very high | 109 Ų | 109 | 37.6 Ų | 37.6 | 76% | 0.762 | 19% | 0.186 | S | C | * | . | trans | -79 | -22.2 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | E3261 E3265 | E3261-S3263 PolarHBondContact O-N 2.75Å; S3263-E3265 PolarHBondContact O-N 2.78Å | ||
| 3264 | K | 89.3 | Confident | 93.1 | Very high | 94 Ų | 94 | 36 Ų | 36 | 41% | 0.409 | 18% | 0.18 | S | C | . | . | trans | -76.9 | 108.2 | 179 | -66.8 | -177.4 | -177.8 | 178.4 | 0 | 110 | L3223 Q3266 V3267 | L3223-K3264 HydrophobicContact CD2-CD 4.44Å; K3264-Q3266 PolarHBondContact O-N 3.27Å; K3264-Q3266 VanDerWaalsContact O-N 3.15Å; K3264-V3267 HydrophobicContact CB-CB 4.49Å; K3264-V3267 HydrophobicContact CB-CG2 3.93Å; K3264-V3267 HydrophobicContact CD-CG2 4.49Å; K3264-V3267 WeakPolarHBondContact O-CB 3.44Å; K3264-V3267 PolarHBondContact O-N 3.4Å | ||
| 3265 | E | 90.8 | Very high | 93 | Very high | 82 Ų | 82 | 36.1 Ų | 36.1 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -51.5 | -36.9 | 174.8 | -76.2 | -63.2 | 131 | 0 | 0 | 112.8 | S3263 V3267 K3268 E3269 H3307 F3309 | S3263-E3265 PolarHBondContact O-N 2.78Å; E3265-V3267 PolarHBondContact O-N 2.95Å; E3265-K3268 WeakPolarHBondContact O-CB 3.43Å; E3265-K3268 PolarHBondContact O-N 2.98Å; E3265-E3269 PolarHBondContact O-N 3.25Å; E3265-H3307 VanDerWaalsContact CD-ND1 3.26Å; E3265-H3307 IonicContact OE1-CE1 3.43Å; E3265-H3307 PolarHBondContact OE1-CE1 3.18Å; E3265-H3307 IonicContact OE1-ND1 3.38Å; E3265-H3307 PolarHBondContact OE1-ND1 3.34Å; E3265-H3307 IonicContact OE2-CE1 2.78Å; E3265-H3307 IonicContact OE2-CG 3.55Å; E3265-H3307 IonicContact OE2-ND1 3.66Å; E3265-H3307 PolarHBondContact OE2-ND1 2.98Å; E3265-F3309 WeakPolarHBondContact OE2-CE1 3.49Å |
| 3266 | Q | 90.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 36.8 Ų | 36.8 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -35.4 | 176.8 | -168 | -176.4 | 24.3 | 0 | 0 | 113.2 | N3227 R3230 K3264 Q3270 | N3227-Q3266 PolarHBondContact OD1-NE2 3.34Å; R3230-Q3266 VanDerWaalsContact NH2-OE1 3.11Å; K3264-Q3266 PolarHBondContact O-N 3.27Å; K3264-Q3266 VanDerWaalsContact O-N 3.15Å; Q3266-Q3270 WeakPolarHBondContact O-CB 3.39Å; Q3266-Q3270 VanDerWaalsContact O-CG 3.27Å; Q3266-Q3270 WeakPolarHBondContact O-CG 3.1Å; Q3266-Q3270 PolarHBondContact O-N 3.16Å |
| 3267 | V | 92.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72 | -41.4 | 178 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | V3222 Q3262 K3264 E3265 E3269 Q3270 I3271 | V3222-V3267 HydrophobicContact CG1-CB 4.48Å; V3222-V3267 HydrophobicContact CG1-CG1 3.54Å; V3222-V3267 HydrophobicContact CG1-CG2 4.07Å; Q3262-V3267 HydrophobicContact CB-CB 4.38Å; Q3262-V3267 HydrophobicContact CB-CG1 4.28Å; Q3262-V3267 HydrophobicContact CG-CG1 4Å; K3264-V3267 HydrophobicContact CB-CB 4.49Å; K3264-V3267 HydrophobicContact CB-CG2 3.93Å; K3264-V3267 HydrophobicContact CD-CG2 4.49Å; K3264-V3267 WeakPolarHBondContact O-CB 3.44Å; K3264-V3267 PolarHBondContact O-N 3.4Å; E3265-V3267 PolarHBondContact O-N 2.95Å; V3267-E3269 VanDerWaalsContact C-N 3.35Å; V3267-Q3270 PolarHBondContact O-N 3.18Å; V3267-I3271 HydrophobicContact CG1-CD1 4.03Å; V3267-I3271 VanDerWaalsContact O-CG1 3.31Å; V3267-I3271 WeakPolarHBondContact O-CG1 3.3Å; V3267-I3271 PolarHBondContact O-N 3.07Å |
| 3268 | K | 94.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 11% | 0.109 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 175.4 | -62 | -170.8 | -175.5 | -166.1 | 0 | 111.9 | F3259 Q3262 E3265 I3271 S3272 H3307 F3309 | F3259-K3268 HydrophobicContact CD2-CB 4Å; F3259-K3268 HydrophobicContact CD2-CG 4.22Å; F3259-K3268 HydrophobicContact CE1-CD 4.48Å; F3259-K3268 HydrophobicContact CE2-CB 3.7Å; F3259-K3268 HydrophobicContact CE2-CD 4.46Å; F3259-K3268 HydrophobicContact CE2-CG 4.23Å; F3259-K3268 HydrophobicContact CZ-CB 4.28Å; F3259-K3268 HydrophobicContact CZ-CD 4.35Å; F3259-K3268 WeakPolarHBondContact O-CE 3.28Å; F3259-K3268 PolarHBondContact O-NZ 3.04Å; Q3262-K3268 WeakPolarHBondContact O-CE 3.5Å; E3265-K3268 WeakPolarHBondContact O-CB 3.43Å; E3265-K3268 PolarHBondContact O-N 2.98Å; K3268-I3271 PolarHBondContact O-N 3.36Å; K3268-S3272 WeakPolarHBondContact O-CB 3.41Å; K3268-S3272 PolarHBondContact O-N 3.42Å; K3268-S3272 PolarHBondContact O-OG 3.38Å; K3268-H3307 VanDerWaalsContact CD-CE1 3.42Å; K3268-H3307 WeakPolarHBondContact CD-CE1 3.47Å; K3268-H3307 PolarHBondContact NZ-CE1 2.92Å; K3268-H3307 VanDerWaalsContact NZ-CE1 3.34Å; K3268-F3309 HydrophobicContact CB-CE1 3.68Å; K3268-F3309 HydrophobicContact CB-CZ 3.93Å |
| 3269 | E | 93.5 | Very high | 92.4 | Very high | 79 Ų | 79 | 37.3 Ų | 37.3 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 172.9 | -177.1 | -166.9 | 165.9 | 0 | 0 | 110.8 | E3265 V3267 I3271 S3272 R3273 F3309 | E3265-E3269 PolarHBondContact O-N 3.25Å; V3267-E3269 VanDerWaalsContact C-N 3.35Å; E3269-I3271 PolarHBondContact O-N 2.72Å; E3269-S3272 WeakPolarHBondContact O-CB 3.32Å; E3269-S3272 PolarHBondContact O-N 2.92Å; E3269-R3273 WeakPolarHBondContact O-CB 3.43Å; E3269-R3273 PolarHBondContact O-N 3.5Å; E3269-F3309 HydrophobicContact CB-CB 4.16Å; E3269-F3309 HydrophobicContact CB-CD1 3.87Å; E3269-F3309 HydrophobicContact CB-CD2 4.45Å; E3269-F3309 HydrophobicContact CB-CE1 4.41Å; E3269-F3309 HydrophobicContact CB-CG 3.9Å; E3269-F3309 HydrophobicContact CG-CB 3.89Å; E3269-F3309 HydrophobicContact CG-CG 4.09Å |
| 3270 | Q | 93.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.8 | -76.3 | -176.3 | -34 | 0 | 0 | 112.5 | N3227 L3234 Q3266 V3267 S3272 R3273 V3274 | N3227-Q3270 PolarHBondContact O-NE2 2.96Å; N3227-Q3270 VanDerWaalsContact O-NE2 3.08Å; L3234-Q3270 HydrophobicContact CD1-CB 3.7Å; Q3266-Q3270 WeakPolarHBondContact O-CB 3.39Å; Q3266-Q3270 VanDerWaalsContact O-CG 3.27Å; Q3266-Q3270 WeakPolarHBondContact O-CG 3.1Å; Q3266-Q3270 PolarHBondContact O-N 3.16Å; V3267-Q3270 PolarHBondContact O-N 3.18Å; Q3270-S3272 VanDerWaalsContact C-N 3.33Å; Q3270-S3272 PolarHBondContact O-N 2.72Å; Q3270-R3273 PolarHBondContact O-N 2.95Å; Q3270-V3274 WeakPolarHBondContact O-CB 3.28Å; Q3270-V3274 WeakPolarHBondContact O-CG2 3.46Å; Q3270-V3274 PolarHBondContact O-N 3Å |
| 3271 | I | 95.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 173.1 | -70.9 | 165.1 | 0 | 0 | 0 | 109.6 | L3234 I3255 L3258 F3259 V3267 K3268 E3269 R3273 V3274 L3275 | L3234-I3271 HydrophobicContact CD1-CG1 3.98Å; L3234-I3271 HydrophobicContact CD2-CD1 4.49Å; L3234-I3271 HydrophobicContact CD2-CG1 3.65Å; L3234-I3271 HydrophobicContact CG-CG1 4.48Å; I3255-I3271 HydrophobicContact CG2-CG2 3.7Å; L3258-I3271 HydrophobicContact CB-CD1 3.9Å; F3259-I3271 HydrophobicContact CB-CD1 4.26Å; F3259-I3271 HydrophobicContact CD2-CB 4.34Å; F3259-I3271 HydrophobicContact CD2-CG2 4.08Å; V3267-I3271 HydrophobicContact CG1-CD1 4.03Å; V3267-I3271 VanDerWaalsContact O-CG1 3.31Å; V3267-I3271 WeakPolarHBondContact O-CG1 3.3Å; V3267-I3271 PolarHBondContact O-N 3.07Å; K3268-I3271 PolarHBondContact O-N 3.36Å; E3269-I3271 PolarHBondContact O-N 2.72Å; I3271-R3273 PolarHBondContact O-N 2.88Å; I3271-V3274 PolarHBondContact O-N 3.04Å; I3271-L3275 HydrophobicContact CG2-CD1 4.25Å; I3271-L3275 WeakPolarHBondContact O-CG 3.47Å; I3271-L3275 PolarHBondContact O-N 2.95Å; I3271-L3275 VanDerWaalsContact O-N 3.16Å |
| 3272 | S | 93.1 | Very high | 92 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | -179.7 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | K3268 E3269 Q3270 V3274 L3275 M3276 F3304 F3309 | K3268-S3272 WeakPolarHBondContact O-CB 3.41Å; K3268-S3272 PolarHBondContact O-N 3.42Å; K3268-S3272 PolarHBondContact O-OG 3.38Å; E3269-S3272 WeakPolarHBondContact O-CB 3.32Å; E3269-S3272 PolarHBondContact O-N 2.92Å; Q3270-S3272 VanDerWaalsContact C-N 3.33Å; Q3270-S3272 PolarHBondContact O-N 2.72Å; S3272-V3274 PolarHBondContact O-N 2.95Å; S3272-L3275 PolarHBondContact O-N 3.09Å; S3272-M3276 WeakPolarHBondContact O-CB 3.34Å; S3272-M3276 VanDerWaalsContact O-CG 3.23Å; S3272-M3276 WeakPolarHBondContact O-CG 3.35Å; S3272-M3276 PolarHBondContact O-N 3.31Å; S3272-F3304 WeakPolarHBondContact OG-CE2 3.47Å; S3272-F3309 VanDerWaalsContact OG-CE2 3.29Å; S3272-F3309 WeakPolarHBondContact OG-CE2 3.46Å |
| 3273 | R | 92.3 | Very high | 91.9 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.6 | -48.7 | 177.6 | 178.7 | 174.5 | 177 | 169.7 | -0.9 | 112 | E3269 Q3270 I3271 L3275 M3276 E3277 | E3269-R3273 WeakPolarHBondContact O-CB 3.43Å; E3269-R3273 PolarHBondContact O-N 3.5Å; Q3270-R3273 PolarHBondContact O-N 2.95Å; I3271-R3273 PolarHBondContact O-N 2.88Å; R3273-L3275 VanDerWaalsContact C-N 3.25Å; R3273-L3275 PolarHBondContact O-N 3.49Å; R3273-M3276 PolarHBondContact O-N 3.31Å; R3273-E3277 HydrophobicContact CG-CG 4.11Å; R3273-E3277 WeakPolarHBondContact CG-OE1 3.13Å; R3273-E3277 IonicContact CZ-OE1 3.92Å; R3273-E3277 IonicContact NE-OE1 3.46Å; R3273-E3277 PolarHBondContact NE-OE1 2.97Å; R3273-E3277 IonicContact NH2-OE1 2.91Å; R3273-E3277 PolarHBondContact NH2-OE1 3.28Å; R3273-E3277 VanDerWaalsContact O-CB 3.3Å; R3273-E3277 WeakPolarHBondContact O-CB 3.49Å; R3273-E3277 VanDerWaalsContact O-CG 3.3Å; R3273-E3277 WeakPolarHBondContact O-CG 3.46Å; R3273-E3277 PolarHBondContact O-N 3.39Å |
| 3274 | V | 94.4 | Very high | 92 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -34.4 | -179.4 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | Y3231 L3234 A3238 Q3270 I3271 S3272 R3278 | Y3231-V3274 HydrophobicContact CD2-CG2 3.69Å; Y3231-V3274 HydrophobicContact CE2-CG2 3.74Å; L3234-V3274 HydrophobicContact CB-CB 4.5Å; L3234-V3274 HydrophobicContact CB-CG1 4.26Å; L3234-V3274 HydrophobicContact CB-CG2 3.99Å; A3238-V3274 HydrophobicContact CB-CG1 3.76Å; Q3270-V3274 WeakPolarHBondContact O-CB 3.28Å; Q3270-V3274 WeakPolarHBondContact O-CG2 3.46Å; Q3270-V3274 PolarHBondContact O-N 3Å; I3271-V3274 PolarHBondContact O-N 3.04Å; S3272-V3274 PolarHBondContact O-N 2.95Å; V3274-R3278 PolarHBondContact O-NH1 3.41Å |
| 3275 | L | 94.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.4 | -48.2 | 174.6 | -62.2 | 176.5 | 0 | 0 | 0 | 111.7 | L3241 I3255 I3271 S3272 R3273 R3278 L3279 L3289 L3296 | L3241-L3275 HydrophobicContact CD1-CD2 4Å; I3255-L3275 HydrophobicContact CG2-CD1 4.43Å; I3271-L3275 HydrophobicContact CG2-CD1 4.25Å; I3271-L3275 WeakPolarHBondContact O-CG 3.47Å; I3271-L3275 PolarHBondContact O-N 2.95Å; I3271-L3275 VanDerWaalsContact O-N 3.16Å; S3272-L3275 PolarHBondContact O-N 3.09Å; R3273-L3275 VanDerWaalsContact C-N 3.25Å; R3273-L3275 PolarHBondContact O-N 3.49Å; L3275-R3278 PolarHBondContact O-N 2.87Å; L3275-L3279 WeakPolarHBondContact O-CG 3.28Å; L3275-L3279 PolarHBondContact O-N 3.2Å; L3275-L3289 HydrophobicContact CD2-CD1 3.56Å; L3275-L3296 HydrophobicContact CD1-CD2 3.82Å |
| 3276 | M | 91 | Very high | 92.2 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 9% | 0.089 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | -176.6 | -66.4 | -52.7 | 128.5 | 0 | 0 | 112.6 | S3272 R3273 R3278 L3279 I3280 L3297 V3320 V3323 | S3272-M3276 WeakPolarHBondContact O-CB 3.34Å; S3272-M3276 VanDerWaalsContact O-CG 3.23Å; S3272-M3276 WeakPolarHBondContact O-CG 3.35Å; S3272-M3276 PolarHBondContact O-N 3.31Å; R3273-M3276 PolarHBondContact O-N 3.31Å; M3276-R3278 PolarHBondContact O-N 3.49Å; M3276-L3279 HydrophobicContact CE-CD1 4.5Å; M3276-L3279 PolarHBondContact O-N 2.95Å; M3276-L3279 HydrophobicContact SD-CD1 4.49Å; M3276-I3280 WeakPolarHBondContact O-CG2 3.42Å; M3276-I3280 PolarHBondContact O-N 2.88Å; M3276-L3297 HydrophobicContact CE-CD1 4.09Å; M3276-L3297 HydrophobicContact CE-CD2 4.12Å; M3276-L3297 HydrophobicContact CE-CG 4.32Å; M3276-V3320 HydrophobicContact CG-CG2 4.48Å; M3276-V3320 HydrophobicContact SD-CG1 4.26Å; M3276-V3323 HydrophobicContact SD-CB 4.47Å; M3276-V3323 HydrophobicContact SD-CG1 3.87Å |
| 3277 | E | 92 | Very high | 92.2 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55 | -37.3 | 175.3 | -79.1 | 177.7 | 174.5 | 0 | 0 | 111.3 | I2948 Y3231 R3273 I3280 | I2948-E3277 HydrophobicContact CD1-CB 3.91Å; I2948-E3277 WeakPolarHBondContact CG2-O 3.49Å; Y3231-E3277 PolarHBondContact OH-OE2 2.91Å; R3273-E3277 HydrophobicContact CG-CG 4.11Å; R3273-E3277 WeakPolarHBondContact CG-OE1 3.13Å; R3273-E3277 IonicContact CZ-OE1 3.92Å; R3273-E3277 IonicContact NE-OE1 3.46Å; R3273-E3277 PolarHBondContact NE-OE1 2.97Å; R3273-E3277 IonicContact NH2-OE1 2.91Å; R3273-E3277 PolarHBondContact NH2-OE1 3.28Å; R3273-E3277 VanDerWaalsContact O-CB 3.3Å; R3273-E3277 WeakPolarHBondContact O-CB 3.49Å; R3273-E3277 VanDerWaalsContact O-CG 3.3Å; R3273-E3277 WeakPolarHBondContact O-CG 3.46Å; R3273-E3277 PolarHBondContact O-N 3.39Å; E3277-I3280 WeakPolarHBondContact O-CG1 3.49Å |
| 3278 | R | 93.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.3 | -18.9 | 175.6 | -68.2 | -177 | 170.7 | 77.3 | -0.3 | 113.8 | I2948 N2952 N3235 A3238 N3239 V3274 L3275 M3276 H3285 L3289 | I2948-R3278 HydrophobicContact CG2-CB 4.38Å; I2948-R3278 HydrophobicContact CG2-CG 4.12Å; N2952-R3278 PolarHBondContact ND2-O 3.14Å; N3235-R3278 PolarHBondContact O-NH2 2.99Å; N3235-R3278 PolarHBondContact OD1-NH1 3.34Å; N3235-R3278 PolarHBondContact OD1-NH2 3.31Å; A3238-R3278 VanDerWaalsContact CB-CZ 3.43Å; A3238-R3278 VanDerWaalsContact CB-NH1 3.3Å; N3239-R3278 PolarHBondContact OD1-NH2 2.93Å; V3274-R3278 PolarHBondContact O-NH1 3.41Å; L3275-R3278 PolarHBondContact O-N 2.87Å; M3276-R3278 PolarHBondContact O-N 3.49Å; R3278-H3285 PolarHBondContact O-CD2 3Å; R3278-L3289 HydrophobicContact CB-CD1 4.25Å; R3278-L3289 HydrophobicContact CB-CD2 3.44Å; R3278-L3289 VanDerWaalsContact CB-CD2 3.44Å; R3278-L3289 HydrophobicContact CB-CG 4.49Å; R3278-L3289 HydrophobicContact CG-CD2 4.44Å |
| 3279 | L | 92.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -96.2 | -22.8 | -179.5 | -66.4 | 176.1 | 0 | 0 | 0 | 113.6 | L3275 M3276 V3281 H3285 L3289 L3290 V3323 | L3275-L3279 WeakPolarHBondContact O-CG 3.28Å; L3275-L3279 PolarHBondContact O-N 3.2Å; M3276-L3279 HydrophobicContact CE-CD1 4.5Å; M3276-L3279 PolarHBondContact O-N 2.95Å; M3276-L3279 HydrophobicContact SD-CD1 4.49Å; L3279-V3281 VanDerWaalsContact C-N 3.27Å; L3279-V3281 PolarHBondContact O-N 3.25Å; L3279-H3285 HydrophobicContact CD2-CB 4.48Å; L3279-H3285 PolarHBondContact O-NE2 3.31Å; L3279-L3289 HydrophobicContact CD2-CD2 3.66Å; L3279-L3289 HydrophobicContact CD2-CG 3.96Å; L3279-L3289 HydrophobicContact CG-CD2 4.16Å; L3279-L3289 HydrophobicContact CG-CG 4.41Å; L3279-L3290 HydrophobicContact CD2-CD2 3.79Å; L3279-V3323 HydrophobicContact CB-CG1 3.45Å; L3279-V3323 VanDerWaalsContact CB-CG1 3.45Å; L3279-V3323 HydrophobicContact CD1-CG1 3.73Å; L3279-V3323 HydrophobicContact CG-CG1 4.26Å |
| 3280 | I | 90 | Very high | 92.1 | Very high | 100 Ų | 100 | 33.5 Ų | 33.5 | 51% | 0.513 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -70.6 | -20.3 | 178.5 | 56.4 | 167.6 | 0 | 0 | 0 | 113.8 | M3276 E3277 I3319 V3323 | M3276-I3280 WeakPolarHBondContact O-CG2 3.42Å; M3276-I3280 PolarHBondContact O-N 2.88Å; E3277-I3280 WeakPolarHBondContact O-CG1 3.49Å; I3280-I3319 HydrophobicContact CG2-CG2 4.08Å; I3280-V3323 HydrophobicContact CG2-CG2 3.59Å |
| 3281 | V | 90.9 | Very high | 92 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 19% | 0.188 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -79.3 | 168.3 | 179.9 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | I2948 N2952 L3279 H3285 | I2948-V3281 HydrophobicContact CB-CG1 4.01Å; I2948-V3281 HydrophobicContact CG2-CG1 3.83Å; I2948-V3281 HydrophobicContact CG2-CG2 4.07Å; N2952-V3281 HydrophobicContact CB-CG2 4.49Å; N2952-V3281 WeakPolarHBondContact ND2-CG2 3.22Å; L3279-V3281 VanDerWaalsContact C-N 3.27Å; L3279-V3281 PolarHBondContact O-N 3.25Å; V3281-H3285 PolarHBondContact O-NE2 3.25Å |
| 3282 | N | 89.4 | Confident | 91.9 | Very high | 125 Ų | 125 | 34 Ų | 34 | 67% | 0.668 | 16% | 0.162 | S | C | * | . | P | Polyproline II helix | trans | -66.8 | 150.5 | 179.5 | -62.8 | -54.5 | 0 | 0 | 0 | 111.5 | Q2949 | Q2949-N3282 PolarHBondContact NE2-O 2.79Å; Q2949-N3282 PolarHBondContact OE1-O 2.64Å |
| 3283 | R | 88.6 | Confident | 91.8 | Very high | 152 Ų | 152 | 33.7 Ų | 33.7 | 57% | 0.574 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -58.1 | 150.7 | 171.9 | -71.8 | 178.7 | -177.5 | -92.8 | 2.2 | 110.9 | S3326 | R3283-S3326 PolarHBondContact NH2-O 3.44Š|
| 3284 | P | 90.7 | Very high | 91.7 | Very high | 52 Ų | 52 | 30.3 Ų | 30.3 | 34% | 0.338 | 15% | 0.148 | S | C | . | . | P | Polyproline II helix | cis | -80.4 | 150 | 10.4 | 33.4 | -36.5 | 0 | 0 | 0 | 114 | I2953 | I2953-P3284 HydrophobicContact CG1-CG 4.28Š|
| 3285 | H | 90.3 | Very high | 91.4 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | trans | -110.9 | 140.3 | 171.2 | -58.3 | 128.5 | 0 | 0 | 0 | 109.1 | R3278 L3279 V3281 L3290 | R3278-H3285 PolarHBondContact O-CD2 3Å; L3279-H3285 HydrophobicContact CD2-CB 4.48Å; L3279-H3285 PolarHBondContact O-NE2 3.31Å; V3281-H3285 PolarHBondContact O-NE2 3.25Å; H3285-L3290 HydrophobicContact CB-CD1 4.16Å; H3285-L3290 HydrophobicContact CB-CD2 4.08Å; H3285-L3290 HydrophobicContact CB-CG 4.03Å | ||
| 3286 | P | 92.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | trans | -59.1 | 142.1 | 178 | -26.1 | 35.7 | 0 | 0 | 0 | 112.8 | L2955 L3241 G3288 L3289 L3290 | L2955-P3286 HydrophobicContact CB-CB 4.3Å; L2955-P3286 HydrophobicContact CB-CG 3.54Å; L3241-P3286 WeakPolarHBondContact O-CB 3.27Å; P3286-G3288 PolarHBondContact O-N 2.99Å; P3286-L3289 HydrophobicContact CB-CB 3.98Å; P3286-L3289 HydrophobicContact CG-CB 4.44Å; P3286-L3289 WeakPolarHBondContact O-CB 3.11Å; P3286-L3289 PolarHBondContact O-N 3.39Å; P3286-L3290 PolarHBondContact O-N 3.02Å; P3286-L3290 VanDerWaalsContact O-N 3.12Å | ||
| 3287 | W | 91.8 | Very high | 91.2 | Very high | 38 Ų | 38 | 32.8 Ų | 32.8 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | -176.1 | 177.1 | 103.3 | 0 | 0 | 0 | 112.3 | A2966 P2968 A2971 R3242 P3244 T3248 L3289 L3290 M3291 | A2966-W3287 PolarHBondContact O-NE1 3.2Å; P2968-W3287 HydrophobicContact CB-CD2 4.19Å; P2968-W3287 HydrophobicContact CB-CG 3.99Å; P2968-W3287 VanDerWaalsContact CG-CD1 3.42Å; P2968-W3287 HydrophobicContact CG-CG 4.06Å; A2971-W3287 HydrophobicContact CB-CH2 3.58Å; A2971-W3287 HydrophobicContact CB-CZ2 3.57Å; R3242-W3287 CarbonylContact O-C 3.25Å; R3242-W3287 WeakPolarHBondContact O-CA 3.43Å; R3242-W3287 VanDerWaalsContact O-CB 3.29Å; R3242-W3287 WeakPolarHBondContact O-CB 3.4Å; R3242-W3287 PolarHBondContact O-N 3.34Å; P3244-W3287 HydrophobicContact CB-CH2 4.37Å; P3244-W3287 HydrophobicContact CB-CZ3 4.27Å; P3244-W3287 HydrophobicContact CG-CD2 3.75Å; P3244-W3287 HydrophobicContact CG-CE3 3.74Å; P3244-W3287 HydrophobicContact CG-CG 4.5Å; P3244-W3287 HydrophobicContact CG-CH2 3.82Å; P3244-W3287 HydrophobicContact CG-CZ2 3.76Å; P3244-W3287 HydrophobicContact CG-CZ3 3.79Å; T3248-W3287 HydrophobicContact CG2-CE3 4.34Å; T3248-W3287 HydrophobicContact CG2-CZ3 4.23Å; W3287-L3289 VanDerWaalsContact C-N 3.28Å; W3287-L3289 PolarHBondContact O-N 3.19Å; W3287-L3290 PolarHBondContact O-N 3.03Å; W3287-M3291 HydrophobicContact CH2-CB 4.38Å; W3287-M3291 HydrophobicContact CH2-CE 4.32Å; W3287-M3291 HydrophobicContact CH2-CG 4.27Å; W3287-M3291 HydrophobicContact CZ3-CB 4.26Å; W3287-M3291 HydrophobicContact CZ3-CE 3.93Å; W3287-M3291 HydrophobicContact CZ3-CG 4.43Å; W3287-M3291 PolarHBondContact O-N 2.89Å |
| 3288 | G | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.7 | -30.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R3242 P3286 T3292 | R3242-G3288 PolarHBondContact O-N 2.86Å; P3286-G3288 PolarHBondContact O-N 2.99Å; G3288-T3292 VanDerWaalsContact O-CB 3.32Å; G3288-T3292 WeakPolarHBondContact O-CB 3.24Å; G3288-T3292 PolarHBondContact O-N 3.03Å; G3288-T3292 PolarHBondContact O-OG1 2.99Å |
| 3289 | L | 94.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -47 | 174.2 | 178.4 | 72.9 | 0 | 0 | 0 | 110.2 | L3241 L3275 R3278 L3279 P3286 W3287 S3293 | L3241-L3289 HydrophobicContact CB-CB 4.37Å; L3241-L3289 HydrophobicContact CD1-CD1 4.29Å; L3241-L3289 PolarHBondContact O-N 2.87Å; L3275-L3289 HydrophobicContact CD2-CD1 3.56Å; R3278-L3289 HydrophobicContact CB-CD1 4.25Å; R3278-L3289 HydrophobicContact CB-CD2 3.44Å; R3278-L3289 VanDerWaalsContact CB-CD2 3.44Å; R3278-L3289 HydrophobicContact CB-CG 4.49Å; R3278-L3289 HydrophobicContact CG-CD2 4.44Å; L3279-L3289 HydrophobicContact CD2-CD2 3.66Å; L3279-L3289 HydrophobicContact CD2-CG 3.96Å; L3279-L3289 HydrophobicContact CG-CD2 4.16Å; L3279-L3289 HydrophobicContact CG-CG 4.41Å; P3286-L3289 HydrophobicContact CB-CB 3.98Å; P3286-L3289 HydrophobicContact CG-CB 4.44Å; P3286-L3289 WeakPolarHBondContact O-CB 3.11Å; P3286-L3289 PolarHBondContact O-N 3.39Å; W3287-L3289 VanDerWaalsContact C-N 3.28Å; W3287-L3289 PolarHBondContact O-N 3.19Å; L3289-S3293 WeakPolarHBondContact O-CB 3.39Å; L3289-S3293 PolarHBondContact O-N 3.27Å; L3289-S3293 PolarHBondContact O-OG 3.03Å |
| 3290 | L | 91.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 176.8 | -70.1 | 172.9 | 0 | 0 | 0 | 111.4 | P2968 L3279 H3285 P3286 W3287 A3294 C3327 | P2968-L3290 HydrophobicContact CB-CB 3.96Å; P2968-L3290 HydrophobicContact CG-CB 4.29Å; P2968-L3290 HydrophobicContact CG-CD1 4.09Å; L3279-L3290 HydrophobicContact CD2-CD2 3.79Å; H3285-L3290 HydrophobicContact CB-CD1 4.16Å; H3285-L3290 HydrophobicContact CB-CD2 4.08Å; H3285-L3290 HydrophobicContact CB-CG 4.03Å; P3286-L3290 PolarHBondContact O-N 3.02Å; P3286-L3290 VanDerWaalsContact O-N 3.12Å; W3287-L3290 PolarHBondContact O-N 3.03Å; L3290-A3294 WeakPolarHBondContact O-CB 3.31Å; L3290-A3294 PolarHBondContact O-N 2.97Å; L3290-C3327 HydrophobicContact CD2-CB 4.1Å |
| 3291 | M | 90.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -53.1 | 177.4 | 176.6 | -89 | -81.9 | 0 | 0 | 111.7 | P2968 A2971 Y3249 S3252 W3287 S3293 A3294 E3295 | P2968-M3291 HydrophobicContact CB-CB 4.43Å; A2971-M3291 HydrophobicContact CB-CG 3.79Å; Y3249-M3291 HydrophobicContact CD1-CE 4.03Å; Y3249-M3291 HydrophobicContact CE1-CE 3.97Å; S3252-M3291 PolarHBondContact OG-SD 3.09Å; S3252-M3291 VanDerWaalsContact OG-SD 3.39Å; W3287-M3291 HydrophobicContact CH2-CB 4.38Å; W3287-M3291 HydrophobicContact CH2-CE 4.32Å; W3287-M3291 HydrophobicContact CH2-CG 4.27Å; W3287-M3291 HydrophobicContact CZ3-CB 4.26Å; W3287-M3291 HydrophobicContact CZ3-CE 3.93Å; W3287-M3291 HydrophobicContact CZ3-CG 4.43Å; W3287-M3291 PolarHBondContact O-N 2.89Å; M3291-S3293 PolarHBondContact O-N 3.26Å; M3291-A3294 PolarHBondContact O-N 3.49Å; M3291-E3295 PolarHBondContact O-N 2.98Å |
| 3292 | T | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | -177 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | L3241 S3252 I3255 L3256 G3288 E3295 L3296 | L3241-T3292 HydrophobicContact CD1-CG2 4.34Å; S3252-T3292 VanDerWaalsContact CB-OG1 3.27Å; S3252-T3292 WeakPolarHBondContact CB-OG1 3.42Å; S3252-T3292 PolarHBondContact OG-OG1 3.11Å; I3255-T3292 HydrophobicContact CG2-CG2 4.37Å; L3256-T3292 HydrophobicContact CD2-CG2 4.3Å; L3256-T3292 HydrophobicContact CG-CG2 4.19Å; G3288-T3292 VanDerWaalsContact O-CB 3.32Å; G3288-T3292 WeakPolarHBondContact O-CB 3.24Å; G3288-T3292 PolarHBondContact O-N 3.03Å; G3288-T3292 PolarHBondContact O-OG1 2.99Å; T3292-E3295 PolarHBondContact O-N 3.28Å; T3292-L3296 WeakPolarHBondContact O-CB 3.21Å; T3292-L3296 PolarHBondContact O-N 2.96Å |
| 3293 | S | 92 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.4 | -37 | 178.5 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | L3289 M3291 L3296 L3297 | L3289-S3293 WeakPolarHBondContact O-CB 3.39Å; L3289-S3293 PolarHBondContact O-N 3.27Å; L3289-S3293 PolarHBondContact O-OG 3.03Å; M3291-S3293 PolarHBondContact O-N 3.26Å; S3293-L3296 PolarHBondContact O-N 3.39Å; S3293-L3297 WeakPolarHBondContact O-CB 3.31Å; S3293-L3297 WeakPolarHBondContact O-CG 3.49Å; S3293-L3297 PolarHBondContact O-N 3.47Å |
| 3294 | A | 88.6 | Confident | 90.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2969 L3290 M3291 L3297 R3298 I3328 | L2969-A3294 HydrophobicContact CD2-CB 3.49Å; L2969-A3294 VanDerWaalsContact CD2-CB 3.49Å; L3290-A3294 WeakPolarHBondContact O-CB 3.31Å; L3290-A3294 PolarHBondContact O-N 2.97Å; M3291-A3294 PolarHBondContact O-N 3.49Å; A3294-L3297 PolarHBondContact O-N 2.94Å; A3294-R3298 WeakPolarHBondContact O-CB 3.41Å; A3294-R3298 VanDerWaalsContact O-CG 3.23Å; A3294-R3298 WeakPolarHBondContact O-CG 3.17Å; A3294-R3298 PolarHBondContact O-N 2.99Å; A3294-I3328 HydrophobicContact CB-CD1 4.14Å; A3294-I3328 HydrophobicContact CB-CG1 3.99Å |
| 3295 | E | 89.7 | Confident | 90.4 | Very high | 74 Ų | 74 | 34.3 Ų | 34.3 | 35% | 0.346 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 175 | -176.8 | 56.9 | -157.4 | 0 | 0 | 111.3 | L3256 M3291 T3292 L3297 N3299 Y3302 | L3256-E3295 HydrophobicContact CD1-CB 4.34Å; L3256-E3295 HydrophobicContact CD1-CG 3.75Å; L3256-E3295 HydrophobicContact CD2-CG 4.32Å; M3291-E3295 PolarHBondContact O-N 2.98Å; T3292-E3295 PolarHBondContact O-N 3.28Å; E3295-L3297 PolarHBondContact O-N 3.49Å; E3295-N3299 WeakPolarHBondContact O-CB 3.23Å; E3295-N3299 PolarHBondContact O-N 2.86Å; E3295-N3299 WeakPolarHBondContact OE1-CB 3.14Å; E3295-N3299 PolarHBondContact OE1-ND2 3.04Å; E3295-Y3302 HydrophobicContact CG-CE2 4.03Å |
| 3296 | L | 91.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 178 | -178.6 | 63 | 0 | 0 | 0 | 113 | L3256 F3259 L3275 T3292 S3293 Y3302 F3304 | L3256-L3296 HydrophobicContact CD2-CB 4.04Å; L3256-L3296 HydrophobicContact CD2-CD1 4.4Å; F3259-L3296 HydrophobicContact CB-CD1 4.36Å; F3259-L3296 HydrophobicContact CD1-CD1 3.51Å; F3259-L3296 HydrophobicContact CD2-CD1 4Å; F3259-L3296 HydrophobicContact CD2-CD2 4.43Å; F3259-L3296 HydrophobicContact CE1-CD1 3.71Å; F3259-L3296 HydrophobicContact CE2-CD1 4.15Å; F3259-L3296 HydrophobicContact CE2-CD2 4.49Å; F3259-L3296 HydrophobicContact CG-CD1 3.67Å; F3259-L3296 HydrophobicContact CZ-CD1 4.02Å; L3275-L3296 HydrophobicContact CD1-CD2 3.82Å; T3292-L3296 WeakPolarHBondContact O-CB 3.21Å; T3292-L3296 PolarHBondContact O-N 2.96Å; S3293-L3296 PolarHBondContact O-N 3.39Å; L3296-Y3302 HydrophobicContact CD1-CD2 4.4Å; L3296-Y3302 HydrophobicContact CD1-CG 4.04Å; L3296-F3304 HydrophobicContact CD1-CD2 4.24Å; L3296-F3304 HydrophobicContact CD2-CD2 4.04Å; L3296-F3304 HydrophobicContact CD2-CE2 4.18Å; L3296-F3304 HydrophobicContact CG-CD2 3.85Å; L3296-F3304 HydrophobicContact CG-CE2 4.44Å |
| 3297 | L | 89.2 | Confident | 90.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -82 | -27.6 | -174.9 | -68.3 | 173.5 | 0 | 0 | 0 | 114 | M3276 S3293 A3294 E3295 F3304 W3305 V3320 A3324 I3328 F3331 | M3276-L3297 HydrophobicContact CE-CD1 4.09Å; M3276-L3297 HydrophobicContact CE-CD2 4.12Å; M3276-L3297 HydrophobicContact CE-CG 4.32Å; S3293-L3297 WeakPolarHBondContact O-CB 3.31Å; S3293-L3297 WeakPolarHBondContact O-CG 3.49Å; S3293-L3297 PolarHBondContact O-N 3.47Å; A3294-L3297 PolarHBondContact O-N 2.94Å; E3295-L3297 PolarHBondContact O-N 3.49Å; L3297-F3304 HydrophobicContact CD2-CD1 3.59Å; L3297-F3304 HydrophobicContact CD2-CD2 4.33Å; L3297-F3304 HydrophobicContact CD2-CE1 3.42Å; L3297-F3304 VanDerWaalsContact CD2-CE1 3.42Å; L3297-F3304 HydrophobicContact CD2-CE2 4.15Å; L3297-F3304 HydrophobicContact CD2-CG 4.06Å; L3297-F3304 HydrophobicContact CD2-CZ 3.72Å; L3297-W3305 HydrophobicContact CD2-CZ2 4.1Å; L3297-W3305 PolarHBondContact O-NE1 3.36Å; L3297-W3305 VanDerWaalsContact O-NE1 3.09Å; L3297-V3320 HydrophobicContact CD2-CG1 4.24Å; L3297-A3324 HydrophobicContact CD1-CB 3.86Å; L3297-I3328 HydrophobicContact CB-CD1 4.36Å; L3297-F3331 HydrophobicContact CB-CE2 4.48Å |
| 3298 | R | 86 | Confident | 90 | Very high | 128 Ų | 128 | 45.5 Ų | 45.5 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -96.4 | -38.5 | -176.7 | -67.7 | 174.3 | 68.3 | 168.1 | -2.6 | 113.2 | A3294 P3300 I3328 F3331 | A3294-R3298 WeakPolarHBondContact O-CB 3.41Å; A3294-R3298 VanDerWaalsContact O-CG 3.23Å; A3294-R3298 WeakPolarHBondContact O-CG 3.17Å; A3294-R3298 PolarHBondContact O-N 2.99Å; R3298-P3300 VanDerWaalsContact O-CD 3.27Å; R3298-P3300 WeakPolarHBondContact O-CD 3.49Å; R3298-I3328 HydrophobicContact CG-CD1 3.54Å; R3298-I3328 HydrophobicContact CG-CG1 4.39Å; R3298-I3328 HydrophobicContact CG-CG2 4.41Å; R3298-F3331 HydrophobicContact CG-CD2 4.33Å; R3298-F3331 HydrophobicContact CG-CE2 4.16Å |
| 3299 | N | 87.5 | Confident | 89.8 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | trans | -75.5 | 114.7 | -172.2 | -175.5 | -15.4 | 0 | 0 | 0 | 109.7 | E3295 A3301 Y3302 | E3295-N3299 WeakPolarHBondContact O-CB 3.23Å; E3295-N3299 PolarHBondContact O-N 2.86Å; E3295-N3299 WeakPolarHBondContact OE1-CB 3.14Å; E3295-N3299 PolarHBondContact OE1-ND2 3.04Å; N3299-A3301 PolarHBondContact O-N 3.04Å; N3299-A3301 VanDerWaalsContact O-N 3.08Å; N3299-A3301 WeakPolarHBondContact OD1-CB 3.27Å; N3299-A3301 PolarHBondContact OD1-N 2.75Å; N3299-Y3302 HydrophobicContact CB-CD2 3.79Å; N3299-Y3302 HydrophobicContact CB-CE2 3.77Å; N3299-Y3302 PolarHBondContact O-N 2.77Å | ||
| 3300 | P | 87 | Confident | 89.3 | Confident | 95 Ų | 95 | 46.9 Ų | 46.9 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -63.8 | -16.3 | -177.4 | 27.5 | -35.5 | 0 | 0 | 0 | 113 | R3298 Y3302 R3303 | R3298-P3300 VanDerWaalsContact O-CD 3.27Å; R3298-P3300 WeakPolarHBondContact O-CD 3.49Å; P3300-Y3302 PolarHBondContact O-N 3.28Å; P3300-R3303 WeakPolarHBondContact O-CG 3.49Å; P3300-R3303 PolarHBondContact O-N 3.21Å; P3300-R3303 VanDerWaalsContact O-N 3.11Å |
| 3301 | A | 87.9 | Confident | 88.9 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 60% | 0.603 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -58.9 | -32.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N3299 | N3299-A3301 PolarHBondContact O-N 3.04Å; N3299-A3301 VanDerWaalsContact O-N 3.08Å; N3299-A3301 WeakPolarHBondContact OD1-CB 3.27Å; N3299-A3301 PolarHBondContact OD1-N 2.75Å |
| 3302 | Y | 90.7 | Very high | 88.7 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -82.5 | -13.3 | 179.3 | -57.9 | -68.7 | 0 | 0 | 0 | 113.4 | M3206 L3256 F3259 E3295 L3296 N3299 P3300 F3304 | M3206-Y3302 HydrophobicContact CE-CE1 4.21Å; M3206-Y3302 PolarHBondContact SD-OH 3.45Å; L3256-Y3302 HydrophobicContact CB-CE1 4.03Å; L3256-Y3302 HydrophobicContact CD2-CE1 4.2Å; L3256-Y3302 HydrophobicContact CD2-CE2 4.05Å; F3259-Y3302 HydrophobicContact CD1-CD1 4.28Å; F3259-Y3302 WeakPolarHBondContact CE1-O 3.21Å; E3295-Y3302 HydrophobicContact CG-CE2 4.03Å; L3296-Y3302 HydrophobicContact CD1-CD2 4.4Å; L3296-Y3302 HydrophobicContact CD1-CG 4.04Å; N3299-Y3302 HydrophobicContact CB-CD2 3.79Å; N3299-Y3302 HydrophobicContact CB-CE2 3.77Å; N3299-Y3302 PolarHBondContact O-N 2.77Å; P3300-Y3302 PolarHBondContact O-N 3.28Å; Y3302-F3304 PolarHBondContact O-N 3.34Å |
| 3303 | R | 90.7 | Very high | 88.4 | Confident | 157 Ų | 157 | 56.6 Ų | 56.6 | 59% | 0.592 | 28% | 0.281 | S | S | * | . | trans | 49.6 | 33.1 | -179.4 | -61 | 174.8 | -178.7 | 178.3 | 3.7 | 113.6 | P3300 W3305 E3306 H3307 | P3300-R3303 WeakPolarHBondContact O-CG 3.49Å; P3300-R3303 PolarHBondContact O-N 3.21Å; P3300-R3303 VanDerWaalsContact O-N 3.11Å; R3303-W3305 PolarHBondContact O-N 3.24Å; R3303-W3305 VanDerWaalsContact O-N 3.09Å; R3303-E3306 HydrophobicContact CB-CB 4.22Å; R3303-E3306 HydrophobicContact CB-CG 4.19Å; R3303-E3306 VanDerWaalsContact CD-OE2 3.31Å; R3303-E3306 WeakPolarHBondContact CD-OE2 3.41Å; R3303-E3306 WeakPolarHBondContact O-CB 3.5Å; R3303-E3306 PolarHBondContact O-N 3.43Å; R3303-H3307 PolarHBondContact O-CD2 2.82Å; R3303-H3307 VanDerWaalsContact O-CD2 3.29Å | ||
| 3304 | F | 91.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -49.4 | -44.1 | -174.4 | 177.7 | -87.6 | 0 | 0 | 0 | 112.8 | F3259 S3272 L3296 L3297 Y3302 E3306 H3307 F3309 A3310 V3320 | F3259-F3304 HydrophobicContact CE2-CD2 4.23Å; F3259-F3304 AromaticContact CZ-CD2 3.82Å; F3259-F3304 HydrophobicContact CZ-CD2 3.82Å; S3272-F3304 WeakPolarHBondContact OG-CE2 3.47Å; L3296-F3304 HydrophobicContact CD1-CD2 4.24Å; L3296-F3304 HydrophobicContact CD2-CD2 4.04Å; L3296-F3304 HydrophobicContact CD2-CE2 4.18Å; L3296-F3304 HydrophobicContact CG-CD2 3.85Å; L3296-F3304 HydrophobicContact CG-CE2 4.44Å; L3297-F3304 HydrophobicContact CD2-CD1 3.59Å; L3297-F3304 HydrophobicContact CD2-CD2 4.33Å; L3297-F3304 HydrophobicContact CD2-CE1 3.42Å; L3297-F3304 VanDerWaalsContact CD2-CE1 3.42Å; L3297-F3304 HydrophobicContact CD2-CE2 4.15Å; L3297-F3304 HydrophobicContact CD2-CG 4.06Å; L3297-F3304 HydrophobicContact CD2-CZ 3.72Å; Y3302-F3304 PolarHBondContact O-N 3.34Å; F3304-E3306 VanDerWaalsContact C-N 3.28Å; F3304-E3306 PolarHBondContact O-N 2.82Å; F3304-H3307 PolarHBondContact O-N 3.44Å; F3304-F3309 HydrophobicContact CE2-CE2 4.22Å; F3304-F3309 HydrophobicContact CZ-CE2 4.49Å; F3304-A3310 HydrophobicContact CE1-CB 4.01Å; F3304-A3310 HydrophobicContact CZ-CB 4.46Å; F3304-V3320 HydrophobicContact CE1-CG1 3.83Å; F3304-V3320 HydrophobicContact CZ-CG1 4.1Å |
| 3305 | W | 88.8 | Confident | 88 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 3% | 0.034 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -76.7 | -8.5 | -177.4 | -59.4 | 96.3 | 0 | 0 | 0 | 114.4 | L3297 R3303 R3311 V3320 A3324 F3331 I3333 V3336 | L3297-W3305 HydrophobicContact CD2-CZ2 4.1Å; L3297-W3305 PolarHBondContact O-NE1 3.36Å; L3297-W3305 VanDerWaalsContact O-NE1 3.09Å; R3303-W3305 PolarHBondContact O-N 3.24Å; R3303-W3305 VanDerWaalsContact O-N 3.09Å; W3305-R3311 PolarHBondContact O-NE 3.38Å; W3305-R3311 VanDerWaalsContact O-NE 3.12Å; W3305-R3311 PolarHBondContact O-NH1 2.73Å; W3305-R3311 PolarHBondContact O-NH2 2.92Å; W3305-R3311 VanDerWaalsContact O-NH2 3.09Å; W3305-V3320 HydrophobicContact CH2-CB 4.48Å; W3305-V3320 HydrophobicContact CH2-CG1 3.79Å; W3305-V3320 HydrophobicContact CZ2-CG1 4.45Å; W3305-V3320 HydrophobicContact CZ3-CG1 4.21Å; W3305-A3324 HydrophobicContact CZ2-CB 4.46Å; W3305-F3331 AromaticContact CE2-CZ 3.81Å; W3305-F3331 HydrophobicContact CH2-CE1 4.09Å; W3305-F3331 HydrophobicContact CH2-CZ 4.4Å; W3305-F3331 AromaticContact CZ2-CE1 3.49Å; W3305-F3331 HydrophobicContact CZ2-CE1 3.49Å; W3305-F3331 VanDerWaalsContact CZ2-CE1 3.49Å; W3305-F3331 AromaticContact CZ2-CZ 3.39Å; W3305-F3331 HydrophobicContact CZ2-CZ 3.39Å; W3305-F3331 AromaticContact NE1-CZ 3.81Å; W3305-I3333 HydrophobicContact CB-CG2 4.35Å; W3305-I3333 HydrophobicContact CD2-CG2 3.82Å; W3305-I3333 HydrophobicContact CE3-CD1 4.41Å; W3305-I3333 HydrophobicContact CE3-CG1 4.43Å; W3305-I3333 HydrophobicContact CE3-CG2 4.05Å; W3305-I3333 HydrophobicContact CG-CG2 3.93Å; W3305-I3333 HydrophobicContact CH2-CD1 4.5Å; W3305-I3333 HydrophobicContact CH2-CG1 4.25Å; W3305-I3333 HydrophobicContact CZ2-CG1 4.42Å; W3305-I3333 HydrophobicContact CZ3-CD1 4.13Å; W3305-I3333 HydrophobicContact CZ3-CG1 4.25Å; W3305-V3336 HydrophobicContact CB-CG2 3.88Å |
| 3306 | E | 89.3 | Confident | 87.7 | Confident | 111 Ų | 111 | 67.5 Ų | 67.5 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -86.8 | -15 | 174.5 | -61 | 178.5 | -170.8 | 0 | 0 | 112 | R3303 F3304 V3336 | R3303-E3306 HydrophobicContact CB-CB 4.22Å; R3303-E3306 HydrophobicContact CB-CG 4.19Å; R3303-E3306 VanDerWaalsContact CD-OE2 3.31Å; R3303-E3306 WeakPolarHBondContact CD-OE2 3.41Å; R3303-E3306 WeakPolarHBondContact O-CB 3.5Å; R3303-E3306 PolarHBondContact O-N 3.43Å; F3304-E3306 VanDerWaalsContact C-N 3.28Å; F3304-E3306 PolarHBondContact O-N 2.82Å; E3306-V3336 HydrophobicContact CG-CG1 3.95Å; E3306-V3336 HydrophobicContact CG-CG2 4.36Å |
| 3307 | H | 89.8 | Confident | 87.5 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -74.3 | 137.1 | 179.5 | -72.7 | -73.8 | 0 | 0 | 0 | 112.5 | F3259 E3265 K3268 R3303 F3304 F3309 A3310 | F3259-H3307 AromaticContact CZ-CD2 3.91Å; E3265-H3307 VanDerWaalsContact CD-ND1 3.26Å; E3265-H3307 IonicContact OE1-CE1 3.43Å; E3265-H3307 PolarHBondContact OE1-CE1 3.18Å; E3265-H3307 IonicContact OE1-ND1 3.38Å; E3265-H3307 PolarHBondContact OE1-ND1 3.34Å; E3265-H3307 IonicContact OE2-CE1 2.78Å; E3265-H3307 IonicContact OE2-CG 3.55Å; E3265-H3307 IonicContact OE2-ND1 3.66Å; E3265-H3307 PolarHBondContact OE2-ND1 2.98Å; K3268-H3307 VanDerWaalsContact CD-CE1 3.42Å; K3268-H3307 WeakPolarHBondContact CD-CE1 3.47Å; K3268-H3307 PolarHBondContact NZ-CE1 2.92Å; K3268-H3307 VanDerWaalsContact NZ-CE1 3.34Å; R3303-H3307 PolarHBondContact O-CD2 2.82Å; R3303-H3307 VanDerWaalsContact O-CD2 3.29Å; F3304-H3307 PolarHBondContact O-N 3.44Å; H3307-F3309 VanDerWaalsContact C-N 3.31Å; H3307-F3309 HydrophobicContact CB-CD1 3.87Å; H3307-F3309 HydrophobicContact CB-CE1 3.37Å; H3307-F3309 HydrophobicContact CB-CE2 4.15Å; H3307-F3309 HydrophobicContact CB-CG 4.45Å; H3307-F3309 HydrophobicContact CB-CZ 3.52Å; H3307-F3309 AromaticContact CG-CE1 3.67Å; H3307-F3309 AromaticContact CG-CZ 3.82Å; H3307-F3309 AromaticContact ND1-CE1 3.95Å; H3307-F3309 PolarHBondContact O-N 3.09Å; H3307-A3310 WeakPolarHBondContact O-CB 3.47Å; H3307-A3310 PolarHBondContact O-N 3.48Å; H3307-A3310 VanDerWaalsContact O-N 3.11Å |
| 3308 | E | 87.7 | Confident | 87.4 | Confident | 161 Ų | 161 | 72.3 Ų | 72.3 | 75% | 0.752 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.3 | -39.6 | -176.1 | -172 | -179.8 | 173.9 | 0 | 0 | 112.3 | A3310 R3311 C3312 | E3308-A3310 PolarHBondContact O-N 3.26Å; E3308-A3310 VanDerWaalsContact O-N 3.15Å; E3308-R3311 CarbonylContact O-C 3.5Å; E3308-R3311 PolarHBondContact O-N 3.04Å; E3308-C3312 WeakPolarHBondContact O-CA 3.3Å; E3308-C3312 WeakPolarHBondContact O-CB 3.08Å; E3308-C3312 PolarHBondContact O-N 3.39Å |
| 3309 | F | 88.4 | Confident | 87.3 | Confident | 28 Ų | 28 | 70 Ų | 70 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -22.7 | -179.6 | 61.8 | -103.4 | 0 | 0 | 0 | 113.7 | F3259 E3265 K3268 E3269 S3272 F3304 H3307 R3311 C3312 | F3259-F3309 HydrophobicContact CE2-CZ 4.05Å; F3259-F3309 HydrophobicContact CZ-CZ 4.11Å; E3265-F3309 WeakPolarHBondContact OE2-CE1 3.49Å; K3268-F3309 HydrophobicContact CB-CE1 3.68Å; K3268-F3309 HydrophobicContact CB-CZ 3.93Å; E3269-F3309 HydrophobicContact CB-CB 4.16Å; E3269-F3309 HydrophobicContact CB-CD1 3.87Å; E3269-F3309 HydrophobicContact CB-CD2 4.45Å; E3269-F3309 HydrophobicContact CB-CE1 4.41Å; E3269-F3309 HydrophobicContact CB-CG 3.9Å; E3269-F3309 HydrophobicContact CG-CB 3.89Å; E3269-F3309 HydrophobicContact CG-CG 4.09Å; S3272-F3309 VanDerWaalsContact OG-CE2 3.29Å; S3272-F3309 WeakPolarHBondContact OG-CE2 3.46Å; F3304-F3309 HydrophobicContact CE2-CE2 4.22Å; F3304-F3309 HydrophobicContact CZ-CE2 4.49Å; H3307-F3309 VanDerWaalsContact C-N 3.31Å; H3307-F3309 HydrophobicContact CB-CD1 3.87Å; H3307-F3309 HydrophobicContact CB-CE1 3.37Å; H3307-F3309 HydrophobicContact CB-CE2 4.15Å; H3307-F3309 HydrophobicContact CB-CG 4.45Å; H3307-F3309 HydrophobicContact CB-CZ 3.52Å; H3307-F3309 AromaticContact CG-CE1 3.67Å; H3307-F3309 AromaticContact CG-CZ 3.82Å; H3307-F3309 AromaticContact ND1-CE1 3.95Å; H3307-F3309 PolarHBondContact O-N 3.09Å; F3309-R3311 VanDerWaalsContact C-N 3.31Å; F3309-C3312 PolarHBondContact O-SG 2.95Å; F3309-C3312 VanDerWaalsContact O-SG 3.38Å |
| 3310 | A | 84.2 | Confident | 87.3 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 2% | 0.017 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.4 | -18.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F3304 H3307 E3308 | F3304-A3310 HydrophobicContact CE1-CB 4.01Å; F3304-A3310 HydrophobicContact CZ-CB 4.46Å; H3307-A3310 WeakPolarHBondContact O-CB 3.47Å; H3307-A3310 PolarHBondContact O-N 3.48Å; H3307-A3310 VanDerWaalsContact O-N 3.11Å; E3308-A3310 PolarHBondContact O-N 3.26Å; E3308-A3310 VanDerWaalsContact O-N 3.15Å |
| 3311 | R | 83.7 | Confident | 87.3 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -125.7 | 8.8 | -175.9 | -67.5 | -175.3 | 174 | 155.6 | 7.7 | 114.1 | W3305 E3308 F3309 N3313 E3317 | W3305-R3311 PolarHBondContact O-NE 3.38Å; W3305-R3311 VanDerWaalsContact O-NE 3.12Å; W3305-R3311 PolarHBondContact O-NH1 2.73Å; W3305-R3311 PolarHBondContact O-NH2 2.92Å; W3305-R3311 VanDerWaalsContact O-NH2 3.09Å; E3308-R3311 CarbonylContact O-C 3.5Å; E3308-R3311 PolarHBondContact O-N 3.04Å; F3309-R3311 VanDerWaalsContact C-N 3.31Å; R3311-N3313 PolarHBondContact O-N 3.43Å; R3311-N3313 VanDerWaalsContact O-N 3.08Å; R3311-E3317 IonicContact NE-OE1 2.82Å |
| 3312 | C | 85.4 | Confident | 87.2 | Confident | 82 Ų | 82 | 66 Ų | 66 | 55% | 0.554 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -61.7 | -24.1 | -175.5 | 63 | 0 | 0 | 0 | 0 | 112.1 | E3308 F3309 | E3308-C3312 WeakPolarHBondContact O-CA 3.3Å; E3308-C3312 WeakPolarHBondContact O-CB 3.08Å; E3308-C3312 PolarHBondContact O-N 3.39Å; F3309-C3312 PolarHBondContact O-SG 2.95Å; F3309-C3312 VanDerWaalsContact O-SG 3.38Å |
| 3313 | N | 86.7 | Confident | 86.9 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -149.4 | 138.2 | 175 | -171.4 | -57.4 | 0 | 0 | 0 | 110.3 | R3311 E3315 I3316 E3317 | R3311-N3313 PolarHBondContact O-N 3.43Å; R3311-N3313 VanDerWaalsContact O-N 3.08Å; N3313-E3315 PolarHBondContact O-N 2.59Å; N3313-E3315 WeakPolarHBondContact OD1-CB 3.39Å; N3313-E3315 PolarHBondContact OD1-N 2.69Å; N3313-I3316 HydrophobicContact CB-CB 4.33Å; N3313-I3316 HydrophobicContact CB-CG1 3.97Å; N3313-I3316 WeakPolarHBondContact O-CB 3.3Å; N3313-I3316 PolarHBondContact O-N 2.72Å; N3313-E3317 PolarHBondContact O-N 2.76Å |
| 3314 | P | 86.1 | Confident | 86.6 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.7 | -29.3 | 177.4 | 23.3 | -35.4 | 0 | 0 | 0 | 113.7 | A3318 | P3314-A3318 VanDerWaalsContact O-CB 3.23Å; P3314-A3318 WeakPolarHBondContact O-CB 3.43Å; P3314-A3318 PolarHBondContact O-N 3.33Å |
| 3315 | E | 86.7 | Confident | 86.4 | Confident | 139 Ų | 139 | 64.8 Ų | 64.8 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69.6 | -39 | 174.7 | -64 | -175.8 | 176.4 | 0 | 0 | 111.9 | N3313 A3318 I3319 | N3313-E3315 PolarHBondContact O-N 2.59Å; N3313-E3315 WeakPolarHBondContact OD1-CB 3.39Å; N3313-E3315 PolarHBondContact OD1-N 2.69Å; E3315-A3318 PolarHBondContact O-N 3.14Å; E3315-I3319 VanDerWaalsContact O-CG1 3.25Å; E3315-I3319 WeakPolarHBondContact O-CG1 3.3Å; E3315-I3319 PolarHBondContact O-N 3.43Å |
| 3316 | I | 83.9 | Confident | 86 | Confident | 71 Ų | 71 | 67 Ų | 67 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.4 | -47.4 | 176.4 | -63.4 | -64.2 | 0 | 0 | 0 | 110 | N3313 A3318 I3319 V3320 | N3313-I3316 HydrophobicContact CB-CB 4.33Å; N3313-I3316 HydrophobicContact CB-CG1 3.97Å; N3313-I3316 WeakPolarHBondContact O-CB 3.3Å; N3313-I3316 PolarHBondContact O-N 2.72Å; I3316-A3318 PolarHBondContact O-N 3.31Å; I3316-I3319 PolarHBondContact O-N 3.45Å; I3316-I3319 VanDerWaalsContact O-N 3.14Å; I3316-V3320 HydrophobicContact CG2-CG2 4.36Å; I3316-V3320 WeakPolarHBondContact O-CG2 3.47Å; I3316-V3320 PolarHBondContact O-N 3.38Å |
| 3317 | E | 86.6 | Confident | 85.5 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 175 | -174.5 | 176.4 | -164 | 0 | 0 | 110.9 | R3311 N3313 T3321 | R3311-E3317 IonicContact NE-OE1 2.82Å; N3313-E3317 PolarHBondContact O-N 2.76Å; E3317-T3321 WeakPolarHBondContact O-CB 3.28Å; E3317-T3321 PolarHBondContact O-N 3.49Å; E3317-T3321 PolarHBondContact O-OG1 3.08Å |
| 3318 | A | 86.8 | Confident | 85 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P3314 E3315 I3316 T3321 I3322 | P3314-A3318 VanDerWaalsContact O-CB 3.23Å; P3314-A3318 WeakPolarHBondContact O-CB 3.43Å; P3314-A3318 PolarHBondContact O-N 3.33Å; E3315-A3318 PolarHBondContact O-N 3.14Å; I3316-A3318 PolarHBondContact O-N 3.31Å; A3318-T3321 PolarHBondContact O-N 3.33Å; A3318-I3322 WeakPolarHBondContact O-CB 3.28Å; A3318-I3322 WeakPolarHBondContact O-CD1 3.44Å; A3318-I3322 WeakPolarHBondContact O-CG1 3.47Å; A3318-I3322 PolarHBondContact O-N 3.13Å |
| 3319 | I | 85.4 | Confident | 84.5 | Confident | 81 Ų | 81 | 58.2 Ų | 58.2 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 177.3 | -71 | 163.4 | 0 | 0 | 0 | 110.3 | I3280 E3315 I3316 T3321 I3322 V3323 | I3280-I3319 HydrophobicContact CG2-CG2 4.08Å; E3315-I3319 VanDerWaalsContact O-CG1 3.25Å; E3315-I3319 WeakPolarHBondContact O-CG1 3.3Å; E3315-I3319 PolarHBondContact O-N 3.43Å; I3316-I3319 PolarHBondContact O-N 3.45Å; I3316-I3319 VanDerWaalsContact O-N 3.14Å; I3319-T3321 VanDerWaalsContact C-N 3.27Å; I3319-T3321 PolarHBondContact O-N 2.98Å; I3319-I3322 PolarHBondContact O-N 2.74Å; I3319-I3322 VanDerWaalsContact O-N 3.15Å; I3319-V3323 HydrophobicContact CG2-CG2 4.41Å; I3319-V3323 WeakPolarHBondContact O-CG2 3.17Å; I3319-V3323 PolarHBondContact O-N 3.01Å |
| 3320 | V | 85.9 | Confident | 84 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -39 | 179.4 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | M3276 L3297 F3304 W3305 I3316 V3323 A3324 | M3276-V3320 HydrophobicContact CG-CG2 4.48Å; M3276-V3320 HydrophobicContact SD-CG1 4.26Å; L3297-V3320 HydrophobicContact CD2-CG1 4.24Å; F3304-V3320 HydrophobicContact CE1-CG1 3.83Å; F3304-V3320 HydrophobicContact CZ-CG1 4.1Å; W3305-V3320 HydrophobicContact CH2-CB 4.48Å; W3305-V3320 HydrophobicContact CH2-CG1 3.79Å; W3305-V3320 HydrophobicContact CZ2-CG1 4.45Å; W3305-V3320 HydrophobicContact CZ3-CG1 4.21Å; I3316-V3320 HydrophobicContact CG2-CG2 4.36Å; I3316-V3320 WeakPolarHBondContact O-CG2 3.47Å; I3316-V3320 PolarHBondContact O-N 3.38Å; V3320-V3323 PolarHBondContact O-N 2.71Å; V3320-A3324 VanDerWaalsContact O-CB 3.26Å; V3320-A3324 WeakPolarHBondContact O-CB 3.26Å; V3320-A3324 PolarHBondContact O-N 3.5Å |
| 3321 | T | 87.6 | Confident | 84 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 174.8 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | E3317 A3318 I3319 A3324 R3325 I3333 | E3317-T3321 WeakPolarHBondContact O-CB 3.28Å; E3317-T3321 PolarHBondContact O-N 3.49Å; E3317-T3321 PolarHBondContact O-OG1 3.08Å; A3318-T3321 PolarHBondContact O-N 3.33Å; I3319-T3321 VanDerWaalsContact C-N 3.27Å; I3319-T3321 PolarHBondContact O-N 2.98Å; T3321-A3324 PolarHBondContact O-N 3.05Å; T3321-R3325 WeakPolarHBondContact O-CB 3.44Å; T3321-R3325 VanDerWaalsContact O-CG 3.28Å; T3321-R3325 WeakPolarHBondContact O-CG 3.43Å; T3321-R3325 PolarHBondContact O-N 3.03Å; T3321-I3333 HydrophobicContact CG2-CD1 4.31Å |
| 3322 | I | 86.4 | Confident | 83.8 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 54% | 0.544 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 176.4 | -71.4 | 163.3 | 0 | 0 | 0 | 109.9 | A3318 I3319 R3325 S3326 | A3318-I3322 WeakPolarHBondContact O-CB 3.28Å; A3318-I3322 WeakPolarHBondContact O-CD1 3.44Å; A3318-I3322 WeakPolarHBondContact O-CG1 3.47Å; A3318-I3322 PolarHBondContact O-N 3.13Å; I3319-I3322 PolarHBondContact O-N 2.74Å; I3319-I3322 VanDerWaalsContact O-N 3.15Å; I3322-R3325 PolarHBondContact O-N 3.3Å; I3322-S3326 WeakPolarHBondContact O-CB 3.44Å; I3322-S3326 PolarHBondContact O-N 2.91Å |
| 3323 | V | 84.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -50.8 | 175.7 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | M3276 L3279 I3280 I3319 V3320 R3325 S3326 C3327 | M3276-V3323 HydrophobicContact SD-CB 4.47Å; M3276-V3323 HydrophobicContact SD-CG1 3.87Å; L3279-V3323 HydrophobicContact CB-CG1 3.45Å; L3279-V3323 VanDerWaalsContact CB-CG1 3.45Å; L3279-V3323 HydrophobicContact CD1-CG1 3.73Å; L3279-V3323 HydrophobicContact CG-CG1 4.26Å; I3280-V3323 HydrophobicContact CG2-CG2 3.59Å; I3319-V3323 HydrophobicContact CG2-CG2 4.41Å; I3319-V3323 WeakPolarHBondContact O-CG2 3.17Å; I3319-V3323 PolarHBondContact O-N 3.01Å; V3320-V3323 PolarHBondContact O-N 2.71Å; V3323-R3325 VanDerWaalsContact C-N 3.32Å; V3323-R3325 PolarHBondContact O-N 3.05Å; V3323-S3326 WeakPolarHBondContact O-CA 3.27Å; V3323-S3326 WeakPolarHBondContact O-CB 3.49Å; V3323-S3326 PolarHBondContact O-N 3.45Å; V3323-S3326 PolarHBondContact O-OG 3.23Å; V3323-C3327 PolarHBondContact O-N 2.97Å; V3323-C3327 PolarHBondContact O-SG 2.91Å |
| 3324 | A | 84.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.3 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L3297 W3305 V3320 T3321 S3326 C3327 I3328 F3331 | L3297-A3324 HydrophobicContact CD1-CB 3.86Å; W3305-A3324 HydrophobicContact CZ2-CB 4.46Å; V3320-A3324 VanDerWaalsContact O-CB 3.26Å; V3320-A3324 WeakPolarHBondContact O-CB 3.26Å; V3320-A3324 PolarHBondContact O-N 3.5Å; T3321-A3324 PolarHBondContact O-N 3.05Å; A3324-S3326 VanDerWaalsContact C-N 3.34Å; A3324-S3326 PolarHBondContact O-N 3.33Å; A3324-C3327 PolarHBondContact O-N 2.94Å; A3324-I3328 WeakPolarHBondContact O-CB 3.43Å; A3324-I3328 PolarHBondContact O-N 3.02Å; A3324-F3331 HydrophobicContact CB-CD1 3.52Å; A3324-F3331 HydrophobicContact CB-CD2 4.41Å; A3324-F3331 HydrophobicContact CB-CE1 3.51Å; A3324-F3331 HydrophobicContact CB-CE2 4.4Å; A3324-F3331 HydrophobicContact CB-CG 4Å; A3324-F3331 HydrophobicContact CB-CZ 3.99Å |
| 3325 | R | 86.4 | Confident | 81.8 | Confident | 154 Ų | 154 | 69.4 Ų | 69.4 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.8 | -32 | 175.4 | -73.4 | 175.2 | -178.2 | 165.5 | 6.3 | 113.4 | T3321 I3322 V3323 C3327 F3331 | T3321-R3325 WeakPolarHBondContact O-CB 3.44Å; T3321-R3325 VanDerWaalsContact O-CG 3.28Å; T3321-R3325 WeakPolarHBondContact O-CG 3.43Å; T3321-R3325 PolarHBondContact O-N 3.03Å; I3322-R3325 PolarHBondContact O-N 3.3Å; V3323-R3325 VanDerWaalsContact C-N 3.32Å; V3323-R3325 PolarHBondContact O-N 3.05Å; R3325-C3327 VanDerWaalsContact C-N 3.3Å; R3325-F3331 HydrophobicContact CG-CB 4.1Å; R3325-F3331 HydrophobicContact CG-CD1 4.34Å |
| 3326 | S | 80.6 | Confident | 80.3 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72 | -28.1 | 176.9 | 81.7 | 0 | 0 | 0 | 0 | 112.3 | R3283 I3322 V3323 A3324 | R3283-S3326 PolarHBondContact NH2-O 3.44Å; I3322-S3326 WeakPolarHBondContact O-CB 3.44Å; I3322-S3326 PolarHBondContact O-N 2.91Å; V3323-S3326 WeakPolarHBondContact O-CA 3.27Å; V3323-S3326 WeakPolarHBondContact O-CB 3.49Å; V3323-S3326 PolarHBondContact O-N 3.45Å; V3323-S3326 PolarHBondContact O-OG 3.23Å; A3324-S3326 VanDerWaalsContact C-N 3.34Å; A3324-S3326 PolarHBondContact O-N 3.33Å |
| 3327 | C | 77.4 | Confident | 78.5 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -92.5 | -35.8 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | L2969 L3290 V3323 A3324 R3325 | L2969-C3327 VanDerWaalsContact CD1-O 3.27Å; L2969-C3327 WeakPolarHBondContact CD1-O 3.4Å; L2969-C3327 WeakPolarHBondContact CD2-O 3.36Å; L3290-C3327 HydrophobicContact CD2-CB 4.1Å; V3323-C3327 PolarHBondContact O-N 2.97Å; V3323-C3327 PolarHBondContact O-SG 2.91Å; A3324-C3327 PolarHBondContact O-N 2.94Å; R3325-C3327 VanDerWaalsContact C-N 3.3Å |
| 3328 | I | 80.6 | Confident | 76.1 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -120.3 | 114.9 | -172 | -59.1 | 154.2 | 0 | 0 | 0 | 109.8 | L2969 A3294 L3297 R3298 A3324 N3330 F3331 | L2969-I3328 HydrophobicContact CD2-CG1 4.05Å; A3294-I3328 HydrophobicContact CB-CD1 4.14Å; A3294-I3328 HydrophobicContact CB-CG1 3.99Å; L3297-I3328 HydrophobicContact CB-CD1 4.36Å; R3298-I3328 HydrophobicContact CG-CD1 3.54Å; R3298-I3328 HydrophobicContact CG-CG1 4.39Å; R3298-I3328 HydrophobicContact CG-CG2 4.41Å; A3324-I3328 WeakPolarHBondContact O-CB 3.43Å; A3324-I3328 PolarHBondContact O-N 3.02Å; I3328-N3330 PolarHBondContact O-N 2.87Å; I3328-F3331 HydrophobicContact CB-CB 4.05Å; I3328-F3331 HydrophobicContact CB-CD2 4.18Å; I3328-F3331 HydrophobicContact CB-CG 4.47Å; I3328-F3331 HydrophobicContact CD1-CD2 3.7Å; I3328-F3331 HydrophobicContact CD1-CE2 4.06Å; I3328-F3331 HydrophobicContact CD1-CG 4.5Å; I3328-F3331 HydrophobicContact CG2-CB 4.12Å; I3328-F3331 HydrophobicContact CG2-CD2 4.1Å; I3328-F3331 WeakPolarHBondContact O-CB 3.28Å; I3328-F3331 PolarHBondContact O-N 3.12Å |
| 3329 | P | 76.2 | Confident | 73.6 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 135.2 | 174 | -24 | 33.5 | 0 | 0 | 0 | 111.5 | L2969 F3331 | L2969-P3329 HydrophobicContact CD1-CG 4.12Å; P3329-F3331 PolarHBondContact O-N 3.22Å |
| 3330 | N | 79.2 | Confident | 71.1 | Confident | 161 Ų | 161 | 76 Ų | 76 | 86% | 0.861 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 28 | 178.3 | -55.8 | -36.6 | 0 | 0 | 0 | 115 | I3328 Q3332 | I3328-N3330 PolarHBondContact O-N 2.87Å; N3330-Q3332 PolarHBondContact O-N 3.3Å |
| 3331 | F | 82.7 | Confident | 68.5 | Low | 16 Ų | 16 | 83.9 Ų | 83.9 | 7% | 0.07 | 46% | 0.458 | C | S | . | . | trans | -58.3 | 121.9 | 178.7 | -174.3 | -101.7 | 0 | 0 | 0 | 112.6 | L3297 R3298 W3305 A3324 R3325 I3328 P3329 I3333 | L3297-F3331 HydrophobicContact CB-CE2 4.48Å; R3298-F3331 HydrophobicContact CG-CD2 4.33Å; R3298-F3331 HydrophobicContact CG-CE2 4.16Å; W3305-F3331 AromaticContact CE2-CZ 3.81Å; W3305-F3331 HydrophobicContact CH2-CE1 4.09Å; W3305-F3331 HydrophobicContact CH2-CZ 4.4Å; W3305-F3331 AromaticContact CZ2-CE1 3.49Å; W3305-F3331 HydrophobicContact CZ2-CE1 3.49Å; W3305-F3331 VanDerWaalsContact CZ2-CE1 3.49Å; W3305-F3331 AromaticContact CZ2-CZ 3.39Å; W3305-F3331 HydrophobicContact CZ2-CZ 3.39Å; W3305-F3331 AromaticContact NE1-CZ 3.81Å; A3324-F3331 HydrophobicContact CB-CD1 3.52Å; A3324-F3331 HydrophobicContact CB-CD2 4.41Å; A3324-F3331 HydrophobicContact CB-CE1 3.51Å; A3324-F3331 HydrophobicContact CB-CE2 4.4Å; A3324-F3331 HydrophobicContact CB-CG 4Å; A3324-F3331 HydrophobicContact CB-CZ 3.99Å; R3325-F3331 HydrophobicContact CG-CB 4.1Å; R3325-F3331 HydrophobicContact CG-CD1 4.34Å; I3328-F3331 HydrophobicContact CB-CB 4.05Å; I3328-F3331 HydrophobicContact CB-CD2 4.18Å; I3328-F3331 HydrophobicContact CB-CG 4.47Å; I3328-F3331 HydrophobicContact CD1-CD2 3.7Å; I3328-F3331 HydrophobicContact CD1-CE2 4.06Å; I3328-F3331 HydrophobicContact CD1-CG 4.5Å; I3328-F3331 HydrophobicContact CG2-CB 4.12Å; I3328-F3331 HydrophobicContact CG2-CD2 4.1Å; I3328-F3331 WeakPolarHBondContact O-CB 3.28Å; I3328-F3331 PolarHBondContact O-N 3.12Å; P3329-F3331 PolarHBondContact O-N 3.22Å; F3331-I3333 HydrophobicContact CE1-CG1 4.03Å | ||
| 3332 | Q | 80.1 | Confident | 65.8 | Low | 168 Ų | 168 | 89 Ų | 89 | 79% | 0.785 | 49% | 0.493 | S | S | * | . | trans | -116.5 | 135.8 | 167.5 | -65.6 | -176.8 | 1.2 | 0 | 0 | 108 | N3330 P3334 | N3330-Q3332 PolarHBondContact O-N 3.3Å; Q3332-P3334 WeakPolarHBondContact O-CD 3.18Å | ||
| 3333 | I | 78.8 | Confident | 63 | Low | 53 Ų | 53 | 90.3 Ų | 90.3 | 27% | 0.272 | 51% | 0.506 | S | S | . | . | trans | -61.6 | 125.4 | 175.9 | -60.3 | 171.1 | 0 | 0 | 0 | 106.9 | W3305 T3321 F3331 N3335 | W3305-I3333 HydrophobicContact CB-CG2 4.35Å; W3305-I3333 HydrophobicContact CD2-CG2 3.82Å; W3305-I3333 HydrophobicContact CE3-CD1 4.41Å; W3305-I3333 HydrophobicContact CE3-CG1 4.43Å; W3305-I3333 HydrophobicContact CE3-CG2 4.05Å; W3305-I3333 HydrophobicContact CG-CG2 3.93Å; W3305-I3333 HydrophobicContact CH2-CD1 4.5Å; W3305-I3333 HydrophobicContact CH2-CG1 4.25Å; W3305-I3333 HydrophobicContact CZ2-CG1 4.42Å; W3305-I3333 HydrophobicContact CZ3-CD1 4.13Å; W3305-I3333 HydrophobicContact CZ3-CG1 4.25Å; T3321-I3333 HydrophobicContact CG2-CD1 4.31Å; F3331-I3333 HydrophobicContact CE1-CG1 4.03Å; I3333-N3335 PolarHBondContact O-N 2.84Å | ||
| 3334 | P | 72.7 | Confident | 60.3 | Low | 46 Ų | 46 | 96.3 Ų | 96.3 | 30% | 0.299 | 54% | 0.543 | S | S | . | . | trans | -52 | 130.4 | 174.4 | -24 | 32.9 | 0 | 0 | 0 | 109.3 | Q3332 V3336 | Q3332-P3334 WeakPolarHBondContact O-CD 3.18Å; P3334-V3336 WeakPolarHBondContact O-CG2 3.46Å; P3334-V3336 PolarHBondContact O-N 3.05Å | ||
| 3335 | N | 64 | Low | 57.7 | Low | 164 Ų | 164 | 101.9 Ų | 101.9 | 88% | 0.877 | 58% | 0.582 | S | S | * | * | trans | -54.2 | 100.2 | -178.9 | -91.7 | -16.9 | 0 | 0 | 0 | 109.8 | I3333 | I3333-N3335 PolarHBondContact O-N 2.84Š| ||
| 3336 | V | 56.3 | Low | 54.9 | Low | 32 Ų | 32 | 100.3 Ų | 100.3 | 19% | 0.194 | 59% | 0.594 | C | S | . | * | trans | -84.3 | 120.8 | 169 | -178.5 | 0 | 0 | 0 | 0 | 105.4 | W3305 E3306 P3334 S3338 | W3305-V3336 HydrophobicContact CB-CG2 3.88Å; E3306-V3336 HydrophobicContact CG-CG1 3.95Å; E3306-V3336 HydrophobicContact CG-CG2 4.36Å; P3334-V3336 WeakPolarHBondContact O-CG2 3.46Å; P3334-V3336 PolarHBondContact O-N 3.05Å; V3336-S3338 VanDerWaalsContact C-N 3.29Å; V3336-S3338 PolarHBondContact O-N 3.45Å | ||
| 3337 | N | 45 | Very low | 52.8 | Low | 151 Ų | 151 | 103.3 Ų | 103.3 | 81% | 0.807 | 61% | 0.61 | S | S | * | * | trans | -58 | 93.8 | 177.5 | -71.3 | -23.4 | 0 | 0 | 0 | 109.3 | S3339 | N3337-S3339 PolarHBondContact O-N 3.39Š| ||
| 3338 | S | 37.8 | Very low | 50.7 | Low | 116 Ų | 116 | 109 Ų | 109 | 81% | 0.811 | 64% | 0.644 | S | S | * | * | trans | -80.6 | 70.2 | 172.5 | 39.8 | 0 | 0 | 0 | 0 | 109 | V3336 | V3336-S3338 VanDerWaalsContact C-N 3.29Å; V3336-S3338 PolarHBondContact O-N 3.45Å | ||
| 3339 | S | 32.7 | Very low | 48.4 | Very low | 92 Ų | 92 | 114 Ų | 114 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | trans | -82.9 | 125 | 149.5 | 52.2 | 0 | 0 | 0 | 0 | 106.8 | N3337 | N3337-S3339 PolarHBondContact O-N 3.39Š| ||
| 3340 | D | 33.2 | Very low | 46.4 | Very low | 143 Ų | 143 | 113.2 Ų | 113.2 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | trans | 85.8 | 93.5 | 172.3 | -46.6 | -33.8 | 0 | 0 | 0 | 115.5 | ||||
| 3341 | I | 32.7 | Very low | 44.2 | Very low | 177 Ų | 177 | 112.2 Ų | 112.2 | 91% | 0.908 | 67% | 0.671 | S | S | * | * | 179.5 | 138.6 | 117.7 | -83.8 | 151.8 | 0 | 0 | 0 | 109.9 | |||||
| 3342 | C | 29.4 | Very low | 42 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 81% | 0.811 | 70% | 0.7 | S | S | * | * | trans | -55.8 | 136.8 | -166.6 | -120.7 | 0 | 0 | 0 | 0 | 115.9 | T3344 | C3342-T3344 PolarHBondContact O-N 3.37Š| ||
| 3343 | T | 27.3 | Very low | 39.6 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | trans | -59.2 | 113.5 | 165.9 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3344 | T | 28.9 | Very low | 37.5 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -155.3 | 142.9 | 143.4 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | C3342 | C3342-T3344 PolarHBondContact O-N 3.37Š| ||
| 3345 | S | 28.9 | Very low | 35.7 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | 93.2 | 66.1 | 167.2 | 92.1 | 0 | 0 | 0 | 0 | 118.9 | V3347 | S3345-V3347 PolarHBondContact O-N 2.97Š| ||
| 3346 | S | 29.4 | Very low | 34.2 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | -82.3 | 81.7 | 155.6 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3347 | V | 35.2 | Very low | 33.1 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | trans | -138.5 | -13.9 | 169.2 | -176.6 | 0 | 0 | 0 | 0 | 115.3 | S3345 | S3345-V3347 PolarHBondContact O-N 2.97Š| ||
| 3348 | V | 34.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -95 | -7.9 | -170.7 | -171.7 | 0 | 0 | 0 | 0 | 115.1 | S3350 | V3348-S3350 PolarHBondContact O-N 3.45Š|
| 3349 | S | 31.6 | Very low | 32.1 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -3.1 | -171.6 | -45 | 0 | 0 | 0 | 0 | 116.6 | ||
| 3350 | S | 34.6 | Very low | 31.8 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -27.4 | -176.3 | 47.5 | 0 | 0 | 0 | 0 | 114.6 | V3348 | V3348-S3350 PolarHBondContact O-N 3.45Š|
| 3351 | N | 33.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -82.6 | -17.9 | -172.7 | -75.1 | -14.1 | 0 | 0 | 0 | 114.8 | ||
| 3352 | L | 34.8 | Very low | 31.6 | Very low | 127 Ų | 127 | 124 Ų | 124 | 67% | 0.665 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -85.4 | -20.7 | -176.9 | -134.2 | 130.1 | 0 | 0 | 0 | 113.7 | Y3354 | L3352-Y3354 VanDerWaalsContact C-N 3.34Å |
| 3353 | R | 31.5 | Very low | 31.5 | Very low | 202 Ų | 202 | 128 Ų | 128 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -72.5 | -25.7 | 175.8 | -77 | -172.4 | -175.9 | 171.7 | 2.8 | 113.4 | ||
| 3354 | Y | 32.9 | Very low | 31.5 | Very low | 205 Ų | 205 | 124.9 Ų | 124.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -77.9 | -25.2 | 179.9 | -97.1 | -80.7 | 0 | 0 | 0 | 113.6 | L3352 | L3352-Y3354 VanDerWaalsContact C-N 3.34Å |
| 3355 | A | 36.7 | Very low | 31.2 | Very low | 73 Ų | 73 | 124 Ų | 124 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -77.2 | -24.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 3356 | L | 32 | Very low | 31.1 | Very low | 129 Ų | 129 | 129 Ų | 129 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -97.2 | -10.7 | -174.8 | -73.6 | 169.6 | 0 | 0 | 0 | 114.7 | ||
| 3357 | L | 32.6 | Very low | 31.2 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -98.1 | -2.7 | 178.2 | -77.1 | 165.2 | 0 | 0 | 0 | 114.1 | ||
| 3358 | S | 32.3 | Very low | 31 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -93.2 | 6 | 176.4 | 92.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 3359 | S | 29.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -113.9 | 56.4 | 175.1 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3360 | G | 26.4 | Very low | 30.8 | Very low | 55 Ų | 55 | 131.2 Ų | 131.2 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | trans | -127.3 | 125.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3361 | T | 29.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | trans | 95.9 | 73.4 | 176.8 | 69.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 3362 | A | 32.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -141.8 | 78.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | G3364 | A3362-G3364 PolarHBondContact O-N 3.24Š| ||
| 3363 | Q | 26.6 | Very low | 30 | Very low | 203 Ų | 203 | 134.7 Ų | 134.7 | 95% | 0.949 | 80% | 0.803 | S | S | * | * | trans | -64.6 | 123.2 | 156.4 | -76.5 | -179.3 | -11 | 0 | 0 | 107.2 | ||||
| 3364 | G | 29 | Very low | 29.9 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | 169.5 | 84.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | A3362 | A3362-G3364 PolarHBondContact O-N 3.24Š| ||
| 3365 | S | 21.9 | Very low | 29.7 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | 52.3 | 127.5 | 149.6 | 68.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 3366 | V | 27.1 | Very low | 29 | Very low | 221 Ų | 221 | 127.8 Ų | 127.8 | 100% | 1.339 | 82% | 0.824 | S | S | * | * | trans | 86.4 | 0 | 164.1 | -164.7 | 0 | 0 | 0 | 0 | 116.2 |
Retrieved 3,366 of 3,366 residues in 1995.5 ms
(Link to these results)