| 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 | 49.3 | Very low | 78.7 | Confident | 244 Ų | 244 | 63.9 Ų | 63.9 | 100% | 1.202 | 37% | 0.372 | S | S | * | . | 0 | 124.2 | 0 | -77.4 | -175.9 | -112.6 | 0 | 0 | 107.1 | |||||
| 2 | A | 59.7 | Low | 79.1 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 55% | 0.554 | 37% | 0.369 | S | S | * | . | trans | -60.2 | 146.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 3 | D | 82.7 | Confident | 79.8 | Confident | 93 Ų | 93 | 58 Ų | 58 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | trans | -54.9 | 132.1 | 173.4 | 170.1 | 34.5 | 0 | 0 | 0 | 109.5 | L5 T6 L7 | D3-L5 PolarHBondContact O-N 3.06Å; D3-L5 WeakPolarHBondContact OD2-CB 3.43Å; D3-T6 HydrophobicContact CB-CG2 4.18Å; D3-T6 PolarHBondContact N-OG1 2.74Å; D3-T6 VanDerWaalsContact N-OG1 3.17Å; D3-T6 WeakPolarHBondContact O-CA 3.36Å; D3-T6 PolarHBondContact O-N 3.38Å; D3-T6 PolarHBondContact O-OG1 2.64Å; D3-L7 PolarHBondContact O-N 3.36Å | ||
| 4 | P | 77.8 | Confident | 80.4 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -49.2 | -32.3 | -178.6 | -34.2 | 38.1 | 0 | 0 | 0 | 114.9 | L7 F8 L22 | P4-L7 PolarHBondContact O-N 3.42Å; P4-F8 WeakPolarHBondContact O-CD2 3.49Å; P4-F8 WeakPolarHBondContact O-CG 3.4Å; P4-F8 PolarHBondContact O-N 3.11Å; P4-F8 VanDerWaalsContact O-N 3.1Å; P4-L22 HydrophobicContact CB-CD2 3.46Å; P4-L22 VanDerWaalsContact CB-CD2 3.46Å |
| 5 | L | 84.5 | Confident | 80.8 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 173.9 | -172.7 | 67.7 | 0 | 0 | 0 | 111.6 | D3 L7 F8 T9 A18 K19 L22 | D3-L5 PolarHBondContact O-N 3.06Å; D3-L5 WeakPolarHBondContact OD2-CB 3.43Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.25Å; L5-F8 PolarHBondContact O-N 2.84Å; L5-T9 WeakPolarHBondContact O-CG2 3.41Å; L5-T9 PolarHBondContact O-N 2.89Å; L5-T9 PolarHBondContact O-OG1 2.71Å; L5-A18 HydrophobicContact CD1-CB 3.73Å; L5-K19 HydrophobicContact CD1-CG 3.8Å; L5-L22 HydrophobicContact CB-CD1 4.04Å; L5-L22 HydrophobicContact CD1-CD1 3.9Å |
| 6 | T | 83.8 | Confident | 81.3 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.7 | -32.4 | 176.4 | 61.9 | 0 | 0 | 0 | 0 | 113 | D3 T9 S10 | D3-T6 HydrophobicContact CB-CG2 4.18Å; D3-T6 PolarHBondContact N-OG1 2.74Å; D3-T6 VanDerWaalsContact N-OG1 3.17Å; D3-T6 WeakPolarHBondContact O-CA 3.36Å; D3-T6 PolarHBondContact O-N 3.38Å; D3-T6 PolarHBondContact O-OG1 2.64Å; T6-T9 WeakPolarHBondContact CA-OG1 3.29Å; T6-T9 PolarHBondContact O-OG1 3.29Å; T6-S10 VanDerWaalsContact O-CB 3.32Å; T6-S10 WeakPolarHBondContact O-CB 3.3Å; T6-S10 PolarHBondContact O-N 2.91Å; T6-S10 PolarHBondContact O-OG 2.9Å; T6-S10 VanDerWaalsContact O-OG 3.14Å |
| 7 | L | 85.6 | Confident | 81.6 | Confident | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.4 | -173.9 | 64.9 | 0 | 0 | 0 | 110.9 | D3 P4 L5 S10 K32 I35 | D3-L7 PolarHBondContact O-N 3.36Å; P4-L7 PolarHBondContact O-N 3.42Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.25Å; L7-S10 PolarHBondContact O-OG 3.41Å; L7-K32 HydrophobicContact CD2-CG 4.21Å; L7-I35 HydrophobicContact CD1-CG2 4.04Å; L7-I35 HydrophobicContact CD2-CD1 4.29Å; L7-I35 HydrophobicContact CG-CD1 4.12Å; L7-I35 HydrophobicContact CG-CG2 4.48Å |
| 8 | F | 87.7 | Confident | 82 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.5 | -35.8 | -178.8 | -66 | -14.8 | 0 | 0 | 0 | 113 | P4 L5 I11 L13 A18 T21 L22 L31 K32 I35 | P4-F8 WeakPolarHBondContact O-CD2 3.49Å; P4-F8 WeakPolarHBondContact O-CG 3.4Å; P4-F8 PolarHBondContact O-N 3.11Å; P4-F8 VanDerWaalsContact O-N 3.1Å; L5-F8 PolarHBondContact O-N 2.84Å; F8-I11 WeakPolarHBondContact O-CG1 3.36Å; F8-L13 HydrophobicContact CB-CD1 3.89Å; F8-L13 HydrophobicContact CG-CD1 4.38Å; F8-L13 WeakPolarHBondContact O-CB 3.35Å; F8-L13 PolarHBondContact O-N 3.24Å; F8-A18 HydrophobicContact CB-CB 3.8Å; F8-T21 HydrophobicContact CD2-CG2 4.35Å; F8-T21 HydrophobicContact CE2-CG2 4.02Å; F8-L22 HydrophobicContact CD2-CD2 4.08Å; F8-L22 HydrophobicContact CD2-CG 4.2Å; F8-L22 HydrophobicContact CE2-CD2 3.6Å; F8-L22 HydrophobicContact CE2-CG 4.07Å; F8-L31 HydrophobicContact CD1-CD2 3.71Å; F8-L31 HydrophobicContact CD1-CG 4.21Å; F8-L31 HydrophobicContact CE1-CB 4.25Å; F8-L31 HydrophobicContact CE1-CD2 3.56Å; F8-L31 HydrophobicContact CE1-CG 3.79Å; F8-L31 HydrophobicContact CE2-CD2 4.45Å; F8-L31 HydrophobicContact CG-CD2 4.25Å; F8-L31 HydrophobicContact CZ-CB 4.48Å; F8-L31 HydrophobicContact CZ-CD2 3.96Å; F8-L31 HydrophobicContact CZ-CG 4.39Å; F8-K32 HydrophobicContact CE1-CG 4.09Å; F8-K32 HydrophobicContact CZ-CG 4.17Å; F8-I35 HydrophobicContact CD1-CD1 4.1Å; F8-I35 HydrophobicContact CE1-CD1 4.19Å |
| 9 | T | 86.6 | Confident | 82.3 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 32% | 0.319 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.8 | -33 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | L5 T6 I11 G12 L13 A18 | L5-T9 WeakPolarHBondContact O-CG2 3.41Å; L5-T9 PolarHBondContact O-N 2.89Å; L5-T9 PolarHBondContact O-OG1 2.71Å; T6-T9 WeakPolarHBondContact CA-OG1 3.29Å; T6-T9 PolarHBondContact O-OG1 3.29Å; T9-I11 PolarHBondContact O-N 3.45Å; T9-G12 PolarHBondContact O-N 2.94Å; T9-G12 VanDerWaalsContact O-N 3.08Å; T9-L13 WeakPolarHBondContact CA-O 3.45Å; T9-A18 HydrophobicContact CG2-CB 4.16Å |
| 10 | S | 84.5 | Confident | 82.6 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -27.4 | 177.7 | 64 | 0 | 0 | 0 | 0 | 113.3 | T6 L7 G12 | T6-S10 VanDerWaalsContact O-CB 3.32Å; T6-S10 WeakPolarHBondContact O-CB 3.3Å; T6-S10 PolarHBondContact O-N 2.91Å; T6-S10 PolarHBondContact O-OG 2.9Å; T6-S10 VanDerWaalsContact O-OG 3.14Å; L7-S10 PolarHBondContact O-OG 3.41Å; S10-G12 VanDerWaalsContact C-N 3.33Å |
| 11 | I | 83.7 | Confident | 82.8 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 9.4 | 175.2 | 67.1 | 154.5 | 0 | 0 | 0 | 113.8 | F8 T9 L13 L31 I35 V47 G52 | F8-I11 WeakPolarHBondContact O-CG1 3.36Å; T9-I11 PolarHBondContact O-N 3.45Å; I11-L13 HydrophobicContact CD1-CD1 4.34Å; I11-L31 HydrophobicContact CD1-CD1 4.17Å; I11-I35 HydrophobicContact CD1-CD1 3.57Å; I11-I35 HydrophobicContact CD1-CG1 4.06Å; I11-I35 HydrophobicContact CG1-CD1 4.3Å; I11-I35 HydrophobicContact CG2-CD1 4.23Å; I11-I35 HydrophobicContact CG2-CG1 4.37Å; I11-V47 HydrophobicContact CB-CG1 4.49Å; I11-V47 HydrophobicContact CG2-CB 4.22Å; I11-V47 HydrophobicContact CG2-CG1 3.99Å; I11-G52 WeakPolarHBondContact O-CA 3.39Å |
| 12 | G | 83.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | 5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | T9 S10 | T9-G12 PolarHBondContact O-N 2.94Å; T9-G12 VanDerWaalsContact O-N 3.08Å; S10-G12 VanDerWaalsContact C-N 3.33Å |
| 13 | L | 87.5 | Confident | 86 | Confident | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | trans | -75.4 | 140.7 | 172.5 | -65.2 | 165.2 | 0 | 0 | 0 | 111 | F8 T9 I11 K17 L31 Y56 | F8-L13 HydrophobicContact CB-CD1 3.89Å; F8-L13 HydrophobicContact CG-CD1 4.38Å; F8-L13 WeakPolarHBondContact O-CB 3.35Å; F8-L13 PolarHBondContact O-N 3.24Å; T9-L13 WeakPolarHBondContact CA-O 3.45Å; I11-L13 HydrophobicContact CD1-CD1 4.34Å; L13-K17 HydrophobicContact CD2-CB 4.48Å; L13-K17 HydrophobicContact CD2-CG 4.1Å; L13-L31 HydrophobicContact CD1-CD2 4.18Å; L13-Y56 HydrophobicContact CD1-CD2 3.69Å; L13-Y56 HydrophobicContact CD1-CE2 4.11Å; L13-Y56 HydrophobicContact CD1-CG 4.25Å; L13-Y56 HydrophobicContact CD2-CD1 3.87Å; L13-Y56 HydrophobicContact CD2-CD2 3.82Å; L13-Y56 HydrophobicContact CD2-CE1 4.16Å; L13-Y56 HydrophobicContact CD2-CE2 4.12Å; L13-Y56 HydrophobicContact CD2-CG 3.67Å; L13-Y56 HydrophobicContact CG-CD2 4.37Å; L13-Y56 HydrophobicContact CG-CG 4.49Å | ||
| 14 | S | 88.8 | Confident | 86.4 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 51% | 0.51 | 31% | 0.314 | S | S | . | . | trans | -63.6 | 151.9 | 169.8 | 73.1 | 0 | 0 | 0 | 0 | 110.4 | Q16 K17 A18 | S14-Q16 PolarHBondContact O-N 2.75Å; S14-K17 PolarHBondContact O-N 3.36Å; S14-K17 WeakPolarHBondContact OG-CB 3.23Å; S14-K17 PolarHBondContact OG-N 2.83Å; S14-A18 PolarHBondContact O-N 3.21Å | ||
| 15 | E | 86.6 | Confident | 86.8 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.5 | -36.9 | -178.8 | -164.7 | -170.5 | 152 | 0 | 0 | 112.1 | K19 | E15-K19 WeakPolarHBondContact O-CG 3.4Å; E15-K19 PolarHBondContact O-N 2.95Å; E15-K19 WeakPolarHBondContact OE1-CE 3.37Å; E15-K19 IonicContact OE1-NZ 3.21Å; E15-K19 PolarHBondContact OE1-NZ 2.58Å |
| 16 | Q | 88.5 | Confident | 86.9 | Confident | 138 Ų | 138 | 65.6 Ų | 65.6 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62 | -48.2 | 173.8 | -177.3 | 179.9 | -10 | 0 | 0 | 111.5 | S14 A18 K19 E20 | S14-Q16 PolarHBondContact O-N 2.75Å; Q16-A18 VanDerWaalsContact C-N 3.34Å; Q16-A18 PolarHBondContact O-N 2.83Å; Q16-K19 PolarHBondContact O-N 3.42Å; Q16-E20 WeakPolarHBondContact O-CG 3.3Å; Q16-E20 PolarHBondContact O-N 3.12Å |
| 17 | K | 86.9 | Confident | 87.1 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | -178.9 | -158.7 | 75.1 | -160.6 | 159.4 | 0 | 112.2 | L13 S14 E20 T21 Y56 | L13-K17 HydrophobicContact CD2-CB 4.48Å; L13-K17 HydrophobicContact CD2-CG 4.1Å; S14-K17 PolarHBondContact O-N 3.36Å; S14-K17 WeakPolarHBondContact OG-CB 3.23Å; S14-K17 PolarHBondContact OG-N 2.83Å; K17-E20 IonicContact NZ-OE2 3.29Å; K17-E20 PolarHBondContact NZ-OE2 3.38Å; K17-E20 PolarHBondContact O-N 2.86Å; K17-T21 WeakPolarHBondContact O-CB 3.48Å; K17-T21 PolarHBondContact O-N 2.97Å; K17-T21 PolarHBondContact O-OG1 2.91Å; K17-Y56 WeakPolarHBondContact CE-OH 3.44Å |
| 18 | A | 87.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L5 F8 T9 S14 Q16 E20 T21 L22 | L5-A18 HydrophobicContact CD1-CB 3.73Å; F8-A18 HydrophobicContact CB-CB 3.8Å; T9-A18 HydrophobicContact CG2-CB 4.16Å; S14-A18 PolarHBondContact O-N 3.21Å; Q16-A18 VanDerWaalsContact C-N 3.34Å; Q16-A18 PolarHBondContact O-N 2.83Å; A18-E20 PolarHBondContact O-N 3.14Å; A18-T21 PolarHBondContact O-N 2.72Å; A18-L22 WeakPolarHBondContact O-CG 3.42Å; A18-L22 PolarHBondContact O-N 2.85Å |
| 19 | K | 87.6 | Confident | 87.3 | Confident | 102 Ų | 102 | 65.6 Ų | 65.6 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 174.8 | -74.9 | 172.7 | 179.2 | 164.6 | 0 | 113.1 | L5 E15 Q16 | L5-K19 HydrophobicContact CD1-CG 3.8Å; E15-K19 WeakPolarHBondContact O-CG 3.4Å; E15-K19 PolarHBondContact O-N 2.95Å; E15-K19 WeakPolarHBondContact OE1-CE 3.37Å; E15-K19 IonicContact OE1-NZ 3.21Å; E15-K19 PolarHBondContact OE1-NZ 2.58Å; Q16-K19 PolarHBondContact O-N 3.42Å |
| 20 | E | 88.4 | Confident | 87.4 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 173.3 | -73.5 | 172.4 | -168.9 | 0 | 0 | 111.9 | Q16 K17 A18 L22 K23 | Q16-E20 WeakPolarHBondContact O-CG 3.3Å; Q16-E20 PolarHBondContact O-N 3.12Å; K17-E20 IonicContact NZ-OE2 3.29Å; K17-E20 PolarHBondContact NZ-OE2 3.38Å; K17-E20 PolarHBondContact O-N 2.86Å; A18-E20 PolarHBondContact O-N 3.14Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 2.84Å; E20-K23 WeakPolarHBondContact O-CB 3.27Å; E20-K23 PolarHBondContact O-N 2.67Å; E20-K23 VanDerWaalsContact O-N 3.17Å |
| 21 | T | 88.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -35.8 | -178.9 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | F8 K17 A18 K23 N24 L27 L31 Y56 | F8-T21 HydrophobicContact CD2-CG2 4.35Å; F8-T21 HydrophobicContact CE2-CG2 4.02Å; K17-T21 WeakPolarHBondContact O-CB 3.48Å; K17-T21 PolarHBondContact O-N 2.97Å; K17-T21 PolarHBondContact O-OG1 2.91Å; A18-T21 PolarHBondContact O-N 2.72Å; T21-K23 PolarHBondContact O-N 3.24Å; T21-N24 PolarHBondContact O-N 2.88Å; T21-N24 VanDerWaalsContact O-N 3.09Å; T21-L27 HydrophobicContact CG2-CD2 3.97Å; T21-L27 HydrophobicContact CG2-CG 3.99Å; T21-L31 HydrophobicContact CG2-CD2 4.09Å; T21-Y56 HydrophobicContact CG2-CE2 3.93Å; T21-Y56 VanDerWaalsContact OG1-CE2 3.32Å; T21-Y56 WeakPolarHBondContact OG1-CE2 3.2Å; T21-Y56 PolarHBondContact OG1-OH 3.43Å |
| 22 | L | 87.9 | Confident | 88 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -21.1 | 175.2 | -71 | 170.3 | 0 | 0 | 0 | 113.9 | P4 L5 F8 A18 E20 N24 | P4-L22 HydrophobicContact CB-CD2 3.46Å; P4-L22 VanDerWaalsContact CB-CD2 3.46Å; L5-L22 HydrophobicContact CB-CD1 4.04Å; L5-L22 HydrophobicContact CD1-CD1 3.9Å; F8-L22 HydrophobicContact CD2-CD2 4.08Å; F8-L22 HydrophobicContact CD2-CG 4.2Å; F8-L22 HydrophobicContact CE2-CD2 3.6Å; F8-L22 HydrophobicContact CE2-CG 4.07Å; A18-L22 WeakPolarHBondContact O-CG 3.42Å; A18-L22 PolarHBondContact O-N 2.85Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 2.84Å; L22-N24 VanDerWaalsContact C-N 3.28Å |
| 23 | K | 88.3 | Confident | 88.2 | Confident | 178 Ų | 178 | 66.9 Ų | 66.9 | 77% | 0.774 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.8 | 175.2 | -64.3 | 177.2 | -179.6 | -179.6 | 0 | 113.1 | E20 T21 | E20-K23 WeakPolarHBondContact O-CB 3.27Å; E20-K23 PolarHBondContact O-N 2.67Å; E20-K23 VanDerWaalsContact O-N 3.17Å; T21-K23 PolarHBondContact O-N 3.24Å |
| 24 | N | 90.6 | Very high | 88.4 | Confident | 78 Ų | 78 | 66 Ų | 66 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | trans | -108.4 | 95.7 | 178.2 | -177 | -22.5 | 0 | 0 | 0 | 109.3 | T21 L22 A26 L27 C28 | T21-N24 PolarHBondContact O-N 2.88Å; T21-N24 VanDerWaalsContact O-N 3.09Å; L22-N24 VanDerWaalsContact C-N 3.28Å; N24-A26 VanDerWaalsContact C-N 3.28Å; N24-A26 PolarHBondContact O-N 2.86Å; N24-A26 PolarHBondContact OD1-N 2.99Å; N24-L27 HydrophobicContact CB-CB 4.02Å; N24-L27 PolarHBondContact O-N 3.37Å; N24-L27 PolarHBondContact OD1-N 3.09Å; N24-L27 VanDerWaalsContact OD1-N 3.13Å; N24-C28 WeakPolarHBondContact O-CB 3.39Å; N24-C28 PolarHBondContact O-N 3.11Å | ||
| 25 | D | 86.4 | Confident | 88.4 | Confident | 133 Ų | 133 | 62.5 Ų | 62.5 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.9 | -38.6 | -174.3 | -67.3 | -32.9 | 0 | 0 | 0 | 113.1 | C28 S29 | D25-C28 PolarHBondContact O-N 3.06Å; D25-S29 WeakPolarHBondContact O-CB 3.29Å; D25-S29 PolarHBondContact O-N 2.9Å |
| 26 | A | 85.6 | Confident | 88.5 | Confident | 75 Ų | 75 | 59 Ų | 59 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.5 | -46.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | N24 S29 A30 | N24-A26 VanDerWaalsContact C-N 3.28Å; N24-A26 PolarHBondContact O-N 2.86Å; N24-A26 PolarHBondContact OD1-N 2.99Å; A26-S29 PolarHBondContact O-N 2.89Å; A26-A30 WeakPolarHBondContact O-CB 3.44Å; A26-A30 PolarHBondContact O-N 2.86Å; A26-A30 VanDerWaalsContact O-N 3.07Å |
| 27 | L | 88.5 | Confident | 88.5 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 176.5 | 179.7 | 57.9 | 0 | 0 | 0 | 111.4 | T21 N24 S29 A30 L31 Y56 | T21-L27 HydrophobicContact CG2-CD2 3.97Å; T21-L27 HydrophobicContact CG2-CG 3.99Å; N24-L27 HydrophobicContact CB-CB 4.02Å; N24-L27 PolarHBondContact O-N 3.37Å; N24-L27 PolarHBondContact OD1-N 3.09Å; N24-L27 VanDerWaalsContact OD1-N 3.13Å; L27-S29 PolarHBondContact O-N 2.87Å; L27-A30 PolarHBondContact O-N 2.74Å; L27-L31 VanDerWaalsContact O-CB 3.23Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 PolarHBondContact O-N 3.22Å; L27-Y56 HydrophobicContact CD2-CE2 4.34Å |
| 28 | C | 88.4 | Confident | 88.6 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | N24 D25 K32 | N24-C28 WeakPolarHBondContact O-CB 3.39Å; N24-C28 PolarHBondContact O-N 3.11Å; D25-C28 PolarHBondContact O-N 3.06Å; C28-K32 VanDerWaalsContact O-CG 3.27Å; C28-K32 WeakPolarHBondContact O-CG 3.49Å; C28-K32 PolarHBondContact O-N 2.81Å; C28-K32 VanDerWaalsContact O-N 3.14Å; C28-K32 VanDerWaalsContact SG-CE 3.57Å |
| 29 | S | 88.6 | Confident | 88.6 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.1 | -51.8 | 175.9 | -164.4 | 0 | 0 | 0 | 0 | 111.5 | D25 A26 L27 L31 K32 D33 | D25-S29 WeakPolarHBondContact O-CB 3.29Å; D25-S29 PolarHBondContact O-N 2.9Å; A26-S29 PolarHBondContact O-N 2.89Å; L27-S29 PolarHBondContact O-N 2.87Å; S29-L31 VanDerWaalsContact C-N 3.29Å; S29-L31 PolarHBondContact O-N 3.38Å; S29-K32 PolarHBondContact O-N 3.1Å; S29-K32 VanDerWaalsContact O-N 3.15Å; S29-D33 PolarHBondContact O-N 3.28Å |
| 30 | A | 89 | Confident | 88.6 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -39.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A26 L27 D33 A34 T59 | A26-A30 WeakPolarHBondContact O-CB 3.44Å; A26-A30 PolarHBondContact O-N 2.86Å; A26-A30 VanDerWaalsContact O-N 3.07Å; L27-A30 PolarHBondContact O-N 2.74Å; A30-D33 PolarHBondContact O-N 3.44Å; A30-A34 WeakPolarHBondContact O-CB 2.9Å; A30-A34 PolarHBondContact O-N 3.43Å; A30-T59 HydrophobicContact CB-CG2 4.33Å |
| 31 | L | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68 | -40.3 | 177.4 | -176.6 | 58.8 | 0 | 0 | 0 | 112.3 | F8 I11 L13 T21 L27 S29 D33 A34 I35 L55 Y56 T59 | F8-L31 HydrophobicContact CD1-CD2 3.71Å; F8-L31 HydrophobicContact CD1-CG 4.21Å; F8-L31 HydrophobicContact CE1-CB 4.25Å; F8-L31 HydrophobicContact CE1-CD2 3.56Å; F8-L31 HydrophobicContact CE1-CG 3.79Å; F8-L31 HydrophobicContact CE2-CD2 4.45Å; F8-L31 HydrophobicContact CG-CD2 4.25Å; F8-L31 HydrophobicContact CZ-CB 4.48Å; F8-L31 HydrophobicContact CZ-CD2 3.96Å; F8-L31 HydrophobicContact CZ-CG 4.39Å; I11-L31 HydrophobicContact CD1-CD1 4.17Å; L13-L31 HydrophobicContact CD1-CD2 4.18Å; T21-L31 HydrophobicContact CG2-CD2 4.09Å; L27-L31 VanDerWaalsContact O-CB 3.23Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 PolarHBondContact O-N 3.22Å; S29-L31 VanDerWaalsContact C-N 3.29Å; S29-L31 PolarHBondContact O-N 3.38Å; L31-D33 VanDerWaalsContact C-N 3.34Å; L31-A34 PolarHBondContact O-N 3.3Å; L31-I35 HydrophobicContact CD1-CD1 4.12Å; L31-I35 HydrophobicContact CD1-CG1 4.27Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 WeakPolarHBondContact O-CB 3.38Å; L31-I35 WeakPolarHBondContact O-CD1 3.38Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 2.96Å; L31-L55 HydrophobicContact CD1-CB 4.47Å; L31-Y56 HydrophobicContact CD2-CD2 3.78Å; L31-Y56 HydrophobicContact CD2-CE2 4.42Å; L31-T59 HydrophobicContact CD1-CG2 4.48Å |
| 32 | K | 89.9 | Confident | 88.1 | Confident | 73 Ų | 73 | 61 Ų | 61 | 32% | 0.317 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.2 | -75.7 | 170.6 | -177.8 | 172.4 | 0 | 111.5 | L7 F8 C28 S29 I35 A36 | L7-K32 HydrophobicContact CD2-CG 4.21Å; F8-K32 HydrophobicContact CE1-CG 4.09Å; F8-K32 HydrophobicContact CZ-CG 4.17Å; C28-K32 VanDerWaalsContact O-CG 3.27Å; C28-K32 WeakPolarHBondContact O-CG 3.49Å; C28-K32 PolarHBondContact O-N 2.81Å; C28-K32 VanDerWaalsContact O-N 3.14Å; C28-K32 VanDerWaalsContact SG-CE 3.57Å; S29-K32 PolarHBondContact O-N 3.1Å; S29-K32 VanDerWaalsContact O-N 3.15Å; K32-I35 PolarHBondContact O-N 3.21Å; K32-A36 WeakPolarHBondContact O-CB 3.42Å; K32-A36 PolarHBondContact O-N 3.3Å |
| 33 | D | 89.8 | Confident | 87.6 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 179.3 | -66.7 | -26.5 | 0 | 0 | 0 | 111.2 | S29 A30 L31 A36 Q37 L68 | S29-D33 PolarHBondContact O-N 3.28Å; A30-D33 PolarHBondContact O-N 3.44Å; L31-D33 VanDerWaalsContact C-N 3.34Å; D33-A36 PolarHBondContact O-N 3.43Å; D33-Q37 WeakPolarHBondContact O-CB 3.23Å; D33-Q37 PolarHBondContact O-N 3.13Å; D33-L68 HydrophobicContact CB-CD2 4.11Å |
| 34 | A | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A30 L31 Q37 A38 L55 M58 T59 L68 T72 | A30-A34 WeakPolarHBondContact O-CB 2.9Å; A30-A34 PolarHBondContact O-N 3.43Å; L31-A34 PolarHBondContact O-N 3.3Å; A34-Q37 PolarHBondContact O-N 3.28Å; A34-A38 WeakPolarHBondContact O-CB 3.18Å; A34-A38 PolarHBondContact O-N 2.88Å; A34-L55 HydrophobicContact CB-CD2 4.4Å; A34-M58 HydrophobicContact CB-CE 3.94Å; A34-T59 HydrophobicContact CB-CG2 3.82Å; A34-L68 HydrophobicContact CB-CD1 4.43Å; A34-T72 HydrophobicContact CB-CG2 4.37Å; A34-T72 WeakPolarHBondContact O-CG2 3.22Å |
| 35 | I | 89.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.7 | -66.8 | 163.3 | 0 | 0 | 0 | 110.6 | L7 F8 I11 L31 K32 Q37 A38 Q39 | L7-I35 HydrophobicContact CD1-CG2 4.04Å; L7-I35 HydrophobicContact CD2-CD1 4.29Å; L7-I35 HydrophobicContact CG-CD1 4.12Å; L7-I35 HydrophobicContact CG-CG2 4.48Å; F8-I35 HydrophobicContact CD1-CD1 4.1Å; F8-I35 HydrophobicContact CE1-CD1 4.19Å; I11-I35 HydrophobicContact CD1-CD1 3.57Å; I11-I35 HydrophobicContact CD1-CG1 4.06Å; I11-I35 HydrophobicContact CG1-CD1 4.3Å; I11-I35 HydrophobicContact CG2-CD1 4.23Å; I11-I35 HydrophobicContact CG2-CG1 4.37Å; L31-I35 HydrophobicContact CD1-CD1 4.12Å; L31-I35 HydrophobicContact CD1-CG1 4.27Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 WeakPolarHBondContact O-CB 3.38Å; L31-I35 WeakPolarHBondContact O-CD1 3.38Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 2.96Å; K32-I35 PolarHBondContact O-N 3.21Å; I35-Q37 VanDerWaalsContact C-N 3.29Å; I35-Q37 PolarHBondContact O-N 2.96Å; I35-A38 PolarHBondContact O-N 2.83Å; I35-Q39 HydrophobicContact CG2-CG 4.28Å; I35-Q39 WeakPolarHBondContact O-CB 3.41Å; I35-Q39 VanDerWaalsContact O-CG 3.24Å; I35-Q39 WeakPolarHBondContact O-CG 3.29Å; I35-Q39 PolarHBondContact O-N 2.93Å |
| 36 | A | 89 | Confident | 84.8 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K32 D33 R40 | K32-A36 WeakPolarHBondContact O-CB 3.42Å; K32-A36 PolarHBondContact O-N 3.3Å; D33-A36 PolarHBondContact O-N 3.43Å; A36-R40 WeakPolarHBondContact O-CG 3.37Å; A36-R40 PolarHBondContact O-N 2.87Å |
| 37 | Q | 89.1 | Confident | 84.7 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.4 | -45.7 | 175.5 | 178.4 | 168.7 | -3.2 | 0 | 0 | 112.1 | D33 A34 I35 Q39 R40 V41 G69 T72 D73 | D33-Q37 WeakPolarHBondContact O-CB 3.23Å; D33-Q37 PolarHBondContact O-N 3.13Å; A34-Q37 PolarHBondContact O-N 3.28Å; I35-Q37 VanDerWaalsContact C-N 3.29Å; I35-Q37 PolarHBondContact O-N 2.96Å; Q37-Q39 VanDerWaalsContact C-N 3.28Å; Q37-Q39 PolarHBondContact O-N 3.38Å; Q37-R40 WeakPolarHBondContact O-CB 3.48Å; Q37-R40 PolarHBondContact O-N 3.39Å; Q37-R40 VanDerWaalsContact O-N 3.07Å; Q37-V41 PolarHBondContact O-N 2.86Å; Q37-G69 VanDerWaalsContact NE2-CA 3.31Å; Q37-G69 PolarHBondContact NE2-O 2.89Å; Q37-G69 VanDerWaalsContact NE2-O 3.12Å; Q37-G69 VanDerWaalsContact OE1-CA 3.22Å; Q37-T72 HydrophobicContact CB-CG2 3.93Å; Q37-T72 HydrophobicContact CG-CG2 3.89Å; Q37-D73 VanDerWaalsContact NE2-CG 3.33Å; Q37-D73 PolarHBondContact NE2-OD1 2.7Å; Q37-D73 PolarHBondContact NE2-OD2 3.26Å |
| 38 | A | 88.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A34 I35 R40 V41 L42 V47 L55 T72 A76 | A34-A38 WeakPolarHBondContact O-CB 3.18Å; A34-A38 PolarHBondContact O-N 2.88Å; I35-A38 PolarHBondContact O-N 2.83Å; A38-R40 VanDerWaalsContact C-N 3.33Å; A38-R40 PolarHBondContact O-N 2.95Å; A38-V41 PolarHBondContact O-N 2.94Å; A38-L42 WeakPolarHBondContact O-CB 3.15Å; A38-L42 WeakPolarHBondContact O-CG 3.34Å; A38-L42 PolarHBondContact O-N 3.03Å; A38-V47 HydrophobicContact CB-CG2 4.02Å; A38-L55 HydrophobicContact CB-CD1 3.77Å; A38-T72 HydrophobicContact CB-CG2 4.04Å; A38-A76 HydrophobicContact CB-CB 4.08Å |
| 39 | Q | 88.5 | Confident | 84.5 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 174.8 | -76 | 174.9 | -13.3 | 0 | 0 | 112.8 | I35 Q37 V41 G43 V47 | I35-Q39 HydrophobicContact CG2-CG 4.28Å; I35-Q39 WeakPolarHBondContact O-CB 3.41Å; I35-Q39 VanDerWaalsContact O-CG 3.24Å; I35-Q39 WeakPolarHBondContact O-CG 3.29Å; I35-Q39 PolarHBondContact O-N 2.93Å; Q37-Q39 VanDerWaalsContact C-N 3.28Å; Q37-Q39 PolarHBondContact O-N 3.38Å; Q39-V41 VanDerWaalsContact C-N 3.33Å; Q39-G43 PolarHBondContact O-N 3.27Å; Q39-V47 HydrophobicContact CG-CG2 3.84Å |
| 40 | R | 86.5 | Confident | 84.3 | Confident | 207 Ų | 207 | 59 Ų | 59 | 78% | 0.781 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | 174.9 | -70.3 | 174.7 | -163.8 | 163.1 | 5.4 | 112 | A36 Q37 A38 | A36-R40 WeakPolarHBondContact O-CG 3.37Å; A36-R40 PolarHBondContact O-N 2.87Å; Q37-R40 WeakPolarHBondContact O-CB 3.48Å; Q37-R40 PolarHBondContact O-N 3.39Å; Q37-R40 VanDerWaalsContact O-N 3.07Å; A38-R40 VanDerWaalsContact C-N 3.33Å; A38-R40 PolarHBondContact O-N 2.95Å |
| 41 | V | 84.1 | Confident | 84.3 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.376 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.1 | -40.8 | 179.8 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | Q37 A38 Q39 A76 Q77 | Q37-V41 PolarHBondContact O-N 2.86Å; A38-V41 PolarHBondContact O-N 2.94Å; Q39-V41 VanDerWaalsContact C-N 3.33Å; V41-A76 HydrophobicContact CB-CB 3.89Å; V41-A76 HydrophobicContact CG1-CB 3.84Å; V41-A76 HydrophobicContact CG2-CB 4.48Å; V41-Q77 HydrophobicContact CG1-CG 4.09Å |
| 42 | L | 82.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -83.6 | -16.1 | -176.3 | -71.8 | 165.8 | 0 | 0 | 0 | 114.3 | A38 A44 A45 G46 V47 A76 | A38-L42 WeakPolarHBondContact O-CB 3.15Å; A38-L42 WeakPolarHBondContact O-CG 3.34Å; A38-L42 PolarHBondContact O-N 3.03Å; L42-A44 PolarHBondContact O-N 3.13Å; L42-A45 PolarHBondContact O-N 3.38Å; L42-G46 WeakPolarHBondContact CD1-O 3.28Å; L42-V47 HydrophobicContact CD1-CG2 4.16Å; L42-A76 HydrophobicContact CD1-CB 4.39Å; L42-A76 VanDerWaalsContact CD2-O 3.23Å; L42-A76 WeakPolarHBondContact CD2-O 3.37Å; L42-A76 HydrophobicContact CG-CB 4.29Å |
| 43 | G | 77.2 | Confident | 84.2 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | 60.6 | -134.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q39 A45 G46 | Q39-G43 PolarHBondContact O-N 3.27Å; G43-A45 PolarHBondContact O-N 3.29Å; G43-G46 PolarHBondContact O-N 2.94Å |
| 44 | A | 65.6 | Low | 84.2 | Confident | 116 Ų | 116 | 54 Ų | 54 | 96% | 0.959 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -67.8 | -13.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L42 G46 | L42-A44 PolarHBondContact O-N 3.13Å; A44-G46 VanDerWaalsContact C-N 3.25Å; A44-G46 PolarHBondContact O-N 2.79Å |
| 45 | A | 63.3 | Low | 84.2 | Confident | 87 Ų | 87 | 54 Ų | 54 | 72% | 0.719 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -71.1 | -19.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L42 G43 | L42-A45 PolarHBondContact O-N 3.38Å; G43-A45 PolarHBondContact O-N 3.29Å |
| 46 | G | 77.7 | Confident | 84.4 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | trans | 66.4 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L42 G43 A44 | L42-G46 WeakPolarHBondContact CD1-O 3.28Å; G43-G46 PolarHBondContact O-N 2.94Å; A44-G46 VanDerWaalsContact C-N 3.25Å; A44-G46 PolarHBondContact O-N 2.79Å | ||
| 47 | V | 84.2 | Confident | 84.4 | Confident | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | trans | -100 | 115.7 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | I11 A38 Q39 L42 T51 L55 | I11-V47 HydrophobicContact CB-CG1 4.49Å; I11-V47 HydrophobicContact CG2-CB 4.22Å; I11-V47 HydrophobicContact CG2-CG1 3.99Å; A38-V47 HydrophobicContact CB-CG2 4.02Å; Q39-V47 HydrophobicContact CG-CG2 3.84Å; L42-V47 HydrophobicContact CD1-CG2 4.16Å; V47-T51 HydrophobicContact CG1-CG2 4.12Å; V47-L55 HydrophobicContact CG1-CD1 4.09Å | ||
| 48 | D | 85.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | trans | -73.4 | 165.4 | 174.4 | 67.1 | 46.8 | 0 | 0 | 0 | 112.2 | A50 T51 G52 R78 | D48-A50 VanDerWaalsContact C-N 3.28Å; D48-A50 PolarHBondContact O-N 2.53Å; D48-A50 PolarHBondContact OD1-N 3.08Å; D48-A50 VanDerWaalsContact OD1-N 3.12Å; D48-T51 VanDerWaalsContact CG-OG1 3.27Å; D48-T51 PolarHBondContact O-N 2.82Å; D48-T51 VanDerWaalsContact OD1-CB 3.28Å; D48-T51 WeakPolarHBondContact OD1-CB 3.26Å; D48-T51 PolarHBondContact OD1-N 2.94Å; D48-T51 PolarHBondContact OD1-OG1 2.81Å; D48-T51 PolarHBondContact OD2-OG1 3.48Å; D48-G52 PolarHBondContact O-N 3.47Å; D48-R78 IonicContact OD2-CZ 2.81Å; D48-R78 IonicContact OD2-NH2 3.74Å; D48-R78 PolarHBondContact OD2-NH2 2.81Å | ||
| 49 | K | 87.1 | Confident | 84.7 | Confident | 148 Ų | 148 | 53.2 Ų | 53.2 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.7 | -32 | -176.3 | -64.9 | -176.6 | 178.5 | 179.9 | 0 | 113.5 | T53 | K49-T53 PolarHBondContact O-N 3.08Å; K49-T53 PolarHBondContact O-OG1 2.9Å |
| 50 | A | 84.5 | Confident | 84.8 | Confident | 68 Ų | 68 | 52 Ų | 52 | 56% | 0.562 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.5 | -48 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D48 G52 T53 L54 | D48-A50 VanDerWaalsContact C-N 3.28Å; D48-A50 PolarHBondContact O-N 2.53Å; D48-A50 PolarHBondContact OD1-N 3.08Å; D48-A50 VanDerWaalsContact OD1-N 3.12Å; A50-G52 VanDerWaalsContact C-N 3.31Å; A50-G52 PolarHBondContact O-N 2.69Å; A50-T53 PolarHBondContact O-N 2.82Å; A50-L54 PolarHBondContact O-N 3.05Å; A50-L54 VanDerWaalsContact O-N 3.17Å |
| 51 | T | 87.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 174 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | V47 D48 T53 L54 L55 I75 | V47-T51 HydrophobicContact CG1-CG2 4.12Å; D48-T51 VanDerWaalsContact CG-OG1 3.27Å; D48-T51 PolarHBondContact O-N 2.82Å; D48-T51 VanDerWaalsContact OD1-CB 3.28Å; D48-T51 WeakPolarHBondContact OD1-CB 3.26Å; D48-T51 PolarHBondContact OD1-N 2.94Å; D48-T51 PolarHBondContact OD1-OG1 2.81Å; D48-T51 PolarHBondContact OD2-OG1 3.48Å; T51-T53 PolarHBondContact O-N 2.79Å; T51-L54 PolarHBondContact O-N 2.91Å; T51-L55 HydrophobicContact CG2-CD1 4.37Å; T51-L55 WeakPolarHBondContact O-CG 3.39Å; T51-L55 PolarHBondContact O-N 2.77Å; T51-I75 HydrophobicContact CG2-CG2 3.77Å |
| 52 | G | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I11 D48 A50 L54 L55 Y56 | I11-G52 WeakPolarHBondContact O-CA 3.39Å; D48-G52 PolarHBondContact O-N 3.47Å; A50-G52 VanDerWaalsContact C-N 3.31Å; A50-G52 PolarHBondContact O-N 2.69Å; G52-L54 VanDerWaalsContact C-N 3.33Å; G52-L54 PolarHBondContact O-N 2.94Å; G52-L55 PolarHBondContact O-N 3.27Å; G52-Y56 PolarHBondContact O-N 3.26Å |
| 53 | T | 88.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | K49 A50 T51 Y56 T57 | K49-T53 PolarHBondContact O-N 3.08Å; K49-T53 PolarHBondContact O-OG1 2.9Å; A50-T53 PolarHBondContact O-N 2.82Å; T51-T53 PolarHBondContact O-N 2.79Å; T53-Y56 PolarHBondContact O-N 3.5Å; T53-T57 WeakPolarHBondContact O-CB 3.36Å; T53-T57 PolarHBondContact O-N 2.92Å; T53-T57 PolarHBondContact O-OG1 3Å |
| 54 | L | 89.6 | Confident | 85.6 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 174.7 | -67.8 | 173.4 | 0 | 0 | 0 | 112 | A50 T51 G52 Y56 T57 M58 I75 E83 L86 | A50-L54 PolarHBondContact O-N 3.05Å; A50-L54 VanDerWaalsContact O-N 3.17Å; T51-L54 PolarHBondContact O-N 2.91Å; G52-L54 VanDerWaalsContact C-N 3.33Å; G52-L54 PolarHBondContact O-N 2.94Å; L54-Y56 VanDerWaalsContact C-N 3.32Å; L54-Y56 PolarHBondContact O-N 3.11Å; L54-T57 PolarHBondContact O-N 3.04Å; L54-M58 WeakPolarHBondContact O-CB 3.12Å; L54-M58 PolarHBondContact O-N 3.36Å; L54-I75 HydrophobicContact CB-CD1 4.46Å; L54-I75 HydrophobicContact CB-CG2 4.04Å; L54-I75 HydrophobicContact CD1-CG2 4.5Å; L54-E83 HydrophobicContact CD2-CG 4.28Å; L54-L86 HydrophobicContact CB-CD2 4.46Å; L54-L86 HydrophobicContact CD2-CB 4.47Å; L54-L86 HydrophobicContact CD2-CD2 4.07Å; L54-L86 WeakPolarHBondContact O-CD2 3.18Å |
| 55 | L | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.3 | -67.8 | 174.6 | 0 | 0 | 0 | 111.3 | L31 A34 A38 V47 T51 G52 M58 T59 T72 I75 | L31-L55 HydrophobicContact CD1-CB 4.47Å; A34-L55 HydrophobicContact CB-CD2 4.4Å; A38-L55 HydrophobicContact CB-CD1 3.77Å; V47-L55 HydrophobicContact CG1-CD1 4.09Å; T51-L55 HydrophobicContact CG2-CD1 4.37Å; T51-L55 WeakPolarHBondContact O-CG 3.39Å; T51-L55 PolarHBondContact O-N 2.77Å; G52-L55 PolarHBondContact O-N 3.27Å; L55-M58 HydrophobicContact CD2-CE 3.95Å; L55-M58 PolarHBondContact O-N 3.12Å; L55-T59 WeakPolarHBondContact O-CB 3.45Å; L55-T59 WeakPolarHBondContact O-CG2 3.49Å; L55-T59 PolarHBondContact O-N 2.9Å; L55-T59 PolarHBondContact O-OG1 2.72Å; L55-T72 HydrophobicContact CD2-CG2 4.01Å; L55-I75 HydrophobicContact CD2-CB 4.18Å; L55-I75 HydrophobicContact CD2-CD1 4.11Å; L55-I75 HydrophobicContact CD2-CG2 3.86Å; L55-I75 HydrophobicContact CG-CG2 4.09Å |
| 56 | Y | 92 | Very high | 87.5 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 13% | 0.129 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 174 | 179.7 | -101.7 | 0 | 0 | 0 | 112.6 | L13 K17 T21 L27 L31 G52 T53 L54 M58 T59 S60 | L13-Y56 HydrophobicContact CD1-CD2 3.69Å; L13-Y56 HydrophobicContact CD1-CE2 4.11Å; L13-Y56 HydrophobicContact CD1-CG 4.25Å; L13-Y56 HydrophobicContact CD2-CD1 3.87Å; L13-Y56 HydrophobicContact CD2-CD2 3.82Å; L13-Y56 HydrophobicContact CD2-CE1 4.16Å; L13-Y56 HydrophobicContact CD2-CE2 4.12Å; L13-Y56 HydrophobicContact CD2-CG 3.67Å; L13-Y56 HydrophobicContact CG-CD2 4.37Å; L13-Y56 HydrophobicContact CG-CG 4.49Å; K17-Y56 WeakPolarHBondContact CE-OH 3.44Å; T21-Y56 HydrophobicContact CG2-CE2 3.93Å; T21-Y56 VanDerWaalsContact OG1-CE2 3.32Å; T21-Y56 WeakPolarHBondContact OG1-CE2 3.2Å; T21-Y56 PolarHBondContact OG1-OH 3.43Å; L27-Y56 HydrophobicContact CD2-CE2 4.34Å; L31-Y56 HydrophobicContact CD2-CD2 3.78Å; L31-Y56 HydrophobicContact CD2-CE2 4.42Å; G52-Y56 PolarHBondContact O-N 3.26Å; T53-Y56 PolarHBondContact O-N 3.5Å; L54-Y56 VanDerWaalsContact C-N 3.32Å; L54-Y56 PolarHBondContact O-N 3.11Å; Y56-M58 VanDerWaalsContact C-N 3.31Å; Y56-M58 PolarHBondContact O-N 2.97Å; Y56-T59 PolarHBondContact O-N 3.44Å; Y56-T59 PolarHBondContact O-OG1 3.48Å; Y56-T59 VanDerWaalsContact O-OG1 3.08Å; Y56-S60 WeakPolarHBondContact O-CB 3.45Å; Y56-S60 PolarHBondContact O-N 3.38Å; Y56-S60 PolarHBondContact O-OG 2.99Å |
| 57 | T | 90.1 | Very high | 87.9 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | -179.7 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | T53 L54 S60 R61 L86 | T53-T57 WeakPolarHBondContact O-CB 3.36Å; T53-T57 PolarHBondContact O-N 2.92Å; T53-T57 PolarHBondContact O-OG1 3Å; L54-T57 PolarHBondContact O-N 3.04Å; T57-S60 WeakPolarHBondContact CA-OG 3.47Å; T57-S60 PolarHBondContact O-OG 3.48Å; T57-S60 VanDerWaalsContact O-OG 3.06Å; T57-R61 WeakPolarHBondContact O-CB 3.41Å; T57-R61 WeakPolarHBondContact O-CG 3.29Å; T57-R61 PolarHBondContact O-N 3.1Å; T57-L86 HydrophobicContact CG2-CD2 3.91Å |
| 58 | M | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -53.6 | 176 | 179.4 | -88 | -61.3 | 0 | 0 | 110.3 | A34 L54 L55 Y56 S60 R61 L62 L68 L71 T72 I75 L86 | A34-M58 HydrophobicContact CB-CE 3.94Å; L54-M58 WeakPolarHBondContact O-CB 3.12Å; L54-M58 PolarHBondContact O-N 3.36Å; L55-M58 HydrophobicContact CD2-CE 3.95Å; L55-M58 PolarHBondContact O-N 3.12Å; Y56-M58 VanDerWaalsContact C-N 3.31Å; Y56-M58 PolarHBondContact O-N 2.97Å; M58-S60 VanDerWaalsContact C-N 3.33Å; M58-S60 PolarHBondContact O-N 3.44Å; M58-R61 PolarHBondContact O-N 3.26Å; M58-R61 VanDerWaalsContact O-N 3.15Å; M58-L62 WeakPolarHBondContact O-CB 3.3Å; M58-L62 PolarHBondContact O-N 3.01Å; M58-L62 HydrophobicContact SD-CB 4.47Å; M58-L62 HydrophobicContact SD-CD2 3.94Å; M58-L68 HydrophobicContact CE-CD1 4.12Å; M58-L68 HydrophobicContact SD-CD1 3.88Å; M58-L71 HydrophobicContact CG-CB 4.18Å; M58-L71 HydrophobicContact CG-CD1 4.16Å; M58-L71 HydrophobicContact SD-CB 4.4Å; M58-T72 WeakPolarHBondContact CE-OG1 3.32Å; M58-I75 HydrophobicContact CB-CD1 3.99Å; M58-I75 HydrophobicContact CE-CD1 4.44Å; M58-I75 HydrophobicContact CG-CD1 4.04Å; M58-L86 HydrophobicContact CB-CD1 3.76Å; M58-L86 HydrophobicContact CB-CD2 4.03Å; M58-L86 HydrophobicContact CG-CD1 3.94Å |
| 59 | T | 91 | Very high | 88.3 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -31 | -178.4 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | A30 L31 A34 L55 Y56 R61 L68 | A30-T59 HydrophobicContact CB-CG2 4.33Å; L31-T59 HydrophobicContact CD1-CG2 4.48Å; A34-T59 HydrophobicContact CB-CG2 3.82Å; L55-T59 WeakPolarHBondContact O-CB 3.45Å; L55-T59 WeakPolarHBondContact O-CG2 3.49Å; L55-T59 PolarHBondContact O-N 2.9Å; L55-T59 PolarHBondContact O-OG1 2.72Å; Y56-T59 PolarHBondContact O-N 3.44Å; Y56-T59 PolarHBondContact O-OG1 3.48Å; Y56-T59 VanDerWaalsContact O-OG1 3.08Å; T59-R61 VanDerWaalsContact C-N 3.34Å; T59-L68 HydrophobicContact CG2-CD1 3.8Å |
| 60 | S | 89.3 | Confident | 88.3 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.6 | -20.7 | 175.4 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | Y56 T57 M58 | Y56-S60 WeakPolarHBondContact O-CB 3.45Å; Y56-S60 PolarHBondContact O-N 3.38Å; Y56-S60 PolarHBondContact O-OG 2.99Å; T57-S60 WeakPolarHBondContact CA-OG 3.47Å; T57-S60 PolarHBondContact O-OG 3.48Å; T57-S60 VanDerWaalsContact O-OG 3.06Å; M58-S60 VanDerWaalsContact C-N 3.33Å; M58-S60 PolarHBondContact O-N 3.44Å |
| 61 | R | 90.1 | Very high | 88.6 | Confident | 134 Ų | 134 | 48.7 Ų | 48.7 | 51% | 0.506 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -112.7 | -19.1 | -175.7 | -65.6 | 176.5 | 63.6 | -173.6 | -2.9 | 114 | T57 M58 T59 R63 L90 | T57-R61 WeakPolarHBondContact O-CB 3.41Å; T57-R61 WeakPolarHBondContact O-CG 3.29Å; T57-R61 PolarHBondContact O-N 3.1Å; M58-R61 PolarHBondContact O-N 3.26Å; M58-R61 VanDerWaalsContact O-N 3.15Å; T59-R61 VanDerWaalsContact C-N 3.34Å; R61-R63 PolarHBondContact O-N 2.91Å; R61-L90 HydrophobicContact CB-CD1 3.72Å |
| 62 | L | 89.9 | Confident | 88.8 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | trans | -69.6 | 122.7 | -178.1 | -176.5 | 65.5 | 0 | 0 | 0 | 110.6 | M58 D64 R67 L68 L71 L90 | M58-L62 WeakPolarHBondContact O-CB 3.3Å; M58-L62 PolarHBondContact O-N 3.01Å; M58-L62 HydrophobicContact SD-CB 4.47Å; M58-L62 HydrophobicContact SD-CD2 3.94Å; L62-D64 WeakPolarHBondContact CD2-O 3.26Å; L62-D64 WeakPolarHBondContact CG-O 3.47Å; L62-R67 HydrophobicContact CD1-CB 4.31Å; L62-L68 HydrophobicContact CD2-CB 3.92Å; L62-L68 HydrophobicContact CD2-CD1 3.88Å; L62-L71 HydrophobicContact CD1-CD1 3.95Å; L62-L90 HydrophobicContact CB-CD2 4.13Å; L62-L90 HydrophobicContact CD1-CD2 3.91Å | ||
| 63 | R | 84.7 | Confident | 88.8 | Confident | 218 Ų | 218 | 50.5 Ų | 50.5 | 82% | 0.823 | 25% | 0.248 | S | C | * | . | trans | -95.9 | -25.7 | 177.9 | -63 | -173.1 | -178.3 | -164.2 | -1.3 | 113.5 | R61 P65 | R61-R63 PolarHBondContact O-N 2.91Å; R63-P65 WeakPolarHBondContact O-CD 3.43Å | ||
| 64 | D | 84.2 | Confident | 88.8 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | trans | -101.4 | 103.9 | 179.8 | -175.4 | -1.4 | 0 | 0 | 0 | 110.4 | L62 K66 R67 | L62-D64 WeakPolarHBondContact CD2-O 3.26Å; L62-D64 WeakPolarHBondContact CG-O 3.47Å; D64-K66 PolarHBondContact O-N 3.45Å; D64-K66 WeakPolarHBondContact OD1-CB 3.21Å; D64-K66 PolarHBondContact OD1-N 2.8Å; D64-R67 HydrophobicContact CB-CG 3.97Å; D64-R67 PolarHBondContact O-N 2.95Å; D64-R67 VanDerWaalsContact OD2-CG 3.24Å; D64-R67 WeakPolarHBondContact OD2-CG 3.41Å; D64-R67 IonicContact OD2-NE 3.71Å | ||
| 65 | P | 82.4 | Confident | 88.8 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 70% | 0.695 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -66.7 | -20.3 | -177.7 | 27.3 | -34.1 | 0 | 0 | 0 | 113.1 | R63 R67 L68 | R63-P65 WeakPolarHBondContact O-CD 3.43Å; P65-R67 PolarHBondContact O-N 3.29Å; P65-L68 VanDerWaalsContact O-CB 3.28Å; P65-L68 WeakPolarHBondContact O-CB 3.34Å; P65-L68 PolarHBondContact O-N 2.65Å |
| 66 | K | 85.2 | Confident | 88.6 | Confident | 164 Ų | 164 | 47.9 Ų | 47.9 | 71% | 0.713 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -64.5 | -21.6 | 177 | -63 | -179.7 | 178.8 | -178.7 | 0 | 112.5 | D64 | D64-K66 PolarHBondContact O-N 3.45Å; D64-K66 WeakPolarHBondContact OD1-CB 3.21Å; D64-K66 PolarHBondContact OD1-N 2.8Å |
| 67 | R | 86.6 | Confident | 88.4 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -97.4 | -5 | -173.3 | -56.1 | -76.9 | -175.1 | -146.8 | 2.9 | 112.5 | L62 D64 P65 G69 F70 L71 V93 Q98 D99 I101 | L62-R67 HydrophobicContact CD1-CB 4.31Å; D64-R67 HydrophobicContact CB-CG 3.97Å; D64-R67 PolarHBondContact O-N 2.95Å; D64-R67 VanDerWaalsContact OD2-CG 3.24Å; D64-R67 WeakPolarHBondContact OD2-CG 3.41Å; D64-R67 IonicContact OD2-NE 3.71Å; P65-R67 PolarHBondContact O-N 3.29Å; R67-G69 PolarHBondContact O-N 3.15Å; R67-F70 PolarHBondContact O-N 2.86Å; R67-L71 PolarHBondContact O-N 2.76Å; R67-V93 HydrophobicContact CB-CG1 3.65Å; R67-V93 HydrophobicContact CG-CG1 3.39Å; R67-Q98 PolarHBondContact NH2-O 3.36Å; R67-D99 IonicContact CZ-OD1 3.06Å; R67-D99 IonicContact NH1-OD1 3.61Å; R67-D99 PolarHBondContact NH1-OD1 3.44Å; R67-D99 IonicContact NH2-OD1 3.6Å; R67-D99 PolarHBondContact NH2-OD1 3.16Å; R67-D99 IonicContact NH2-OD2 2.82Å; R67-I101 VanDerWaalsContact CZ-CD1 3.48Å; R67-I101 VanDerWaalsContact NH1-CD1 3.33Å |
| 68 | L | 88.8 | Confident | 88.2 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.1 | -50.5 | 179.1 | -175 | 80.6 | 0 | 0 | 0 | 110.9 | D33 A34 M58 T59 L62 P65 T72 | D33-L68 HydrophobicContact CB-CD2 4.11Å; A34-L68 HydrophobicContact CB-CD1 4.43Å; M58-L68 HydrophobicContact CE-CD1 4.12Å; M58-L68 HydrophobicContact SD-CD1 3.88Å; T59-L68 HydrophobicContact CG2-CD1 3.8Å; L62-L68 HydrophobicContact CD2-CB 3.92Å; L62-L68 HydrophobicContact CD2-CD1 3.88Å; P65-L68 VanDerWaalsContact O-CB 3.28Å; P65-L68 WeakPolarHBondContact O-CB 3.34Å; P65-L68 PolarHBondContact O-N 2.65Å; L68-T72 VanDerWaalsContact O-CB 3.24Å; L68-T72 WeakPolarHBondContact O-CB 3.48Å; L68-T72 PolarHBondContact O-N 3Å; L68-T72 PolarHBondContact O-OG1 3.45Å |
| 69 | G | 88.4 | Confident | 87.8 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q37 R67 L71 T72 D73 | Q37-G69 VanDerWaalsContact NE2-CA 3.31Å; Q37-G69 PolarHBondContact NE2-O 2.89Å; Q37-G69 VanDerWaalsContact NE2-O 3.12Å; Q37-G69 VanDerWaalsContact OE1-CA 3.22Å; R67-G69 PolarHBondContact O-N 3.15Å; G69-L71 PolarHBondContact O-N 2.82Å; G69-T72 PolarHBondContact O-N 2.95Å; G69-D73 VanDerWaalsContact O-CG 3.29Å; G69-D73 PolarHBondContact O-N 3.13Å |
| 70 | F | 88.6 | Confident | 87.6 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 23% | 0.232 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 178.8 | 178 | -100.7 | 0 | 0 | 0 | 112.7 | R67 D73 H74 I101 F106 | R67-F70 PolarHBondContact O-N 2.86Å; F70-D73 PolarHBondContact O-N 2.65Å; F70-H74 AromaticContact CD2-CE1 3.8Å; F70-H74 AromaticContact CE1-CE1 3.99Å; F70-H74 AromaticContact CE2-CE1 3.28Å; F70-H74 WeakPolarHBondContact CE2-CE1 3.37Å; F70-H74 AromaticContact CE2-ND1 3.97Å; F70-H74 AromaticContact CZ-CE1 3.37Å; F70-H74 WeakPolarHBondContact CZ-CE1 3.29Å; F70-H74 AromaticContact CZ-ND1 3.96Å; F70-H74 AromaticContact CZ-NE2 3.95Å; F70-H74 PolarHBondContact O-N 3Å; F70-H74 PolarHBondContact O-ND1 2.92Å; F70-I101 HydrophobicContact CD1-CD1 4.25Å; F70-I101 HydrophobicContact CE1-CD1 4.19Å; F70-I101 HydrophobicContact CZ-CG2 4.17Å; F70-F106 HydrophobicContact CD1-CZ 4.49Å; F70-F106 AromaticContact CE1-CD1 3.81Å; F70-F106 HydrophobicContact CE1-CD1 3.81Å; F70-F106 HydrophobicContact CE1-CD2 4.07Å; F70-F106 AromaticContact CE1-CE1 3.59Å; F70-F106 HydrophobicContact CE1-CE1 3.59Å; F70-F106 AromaticContact CE1-CE2 3.85Å; F70-F106 HydrophobicContact CE1-CE2 3.85Å; F70-F106 HydrophobicContact CE1-CG 4.04Å; F70-F106 AromaticContact CE1-CZ 3.61Å; F70-F106 HydrophobicContact CE1-CZ 3.61Å; F70-F106 AromaticContact CZ-CD1 3.69Å; F70-F106 HydrophobicContact CZ-CD1 3.69Å; F70-F106 AromaticContact CZ-CE1 3.83Å; F70-F106 HydrophobicContact CZ-CE1 3.83Å; F70-F106 HydrophobicContact CZ-CG 4.07Å; F70-F106 HydrophobicContact CZ-CZ 4.32Å |
| 71 | L | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.4 | -35 | 178.7 | -67.8 | 179.3 | 0 | 0 | 0 | 112.4 | M58 L62 R67 G69 D73 H74 I75 I80 A89 L90 V93 F106 | M58-L71 HydrophobicContact CG-CB 4.18Å; M58-L71 HydrophobicContact CG-CD1 4.16Å; M58-L71 HydrophobicContact SD-CB 4.4Å; L62-L71 HydrophobicContact CD1-CD1 3.95Å; R67-L71 PolarHBondContact O-N 2.76Å; G69-L71 PolarHBondContact O-N 2.82Å; L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 2.98Å; L71-H74 PolarHBondContact O-N 2.82Å; L71-I75 VanDerWaalsContact O-CG1 3.32Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.95Å; L71-I80 HydrophobicContact CD2-CD1 4.45Å; L71-A89 HydrophobicContact CD2-CB 3.9Å; L71-L90 HydrophobicContact CD1-CD2 4.07Å; L71-V93 HydrophobicContact CD1-CG2 4.37Å; L71-V93 HydrophobicContact CD2-CG2 4.24Å; L71-V93 HydrophobicContact CG-CG2 4.48Å; L71-F106 HydrophobicContact CD2-CE2 4.09Å; L71-F106 HydrophobicContact CD2-CZ 3.75Å |
| 72 | T | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | A34 Q37 A38 L55 M58 L68 G69 H74 I75 A76 | A34-T72 HydrophobicContact CB-CG2 4.37Å; A34-T72 WeakPolarHBondContact O-CG2 3.22Å; Q37-T72 HydrophobicContact CB-CG2 3.93Å; Q37-T72 HydrophobicContact CG-CG2 3.89Å; A38-T72 HydrophobicContact CB-CG2 4.04Å; L55-T72 HydrophobicContact CD2-CG2 4.01Å; M58-T72 WeakPolarHBondContact CE-OG1 3.32Å; L68-T72 VanDerWaalsContact O-CB 3.24Å; L68-T72 WeakPolarHBondContact O-CB 3.48Å; L68-T72 PolarHBondContact O-N 3Å; L68-T72 PolarHBondContact O-OG1 3.45Å; G69-T72 PolarHBondContact O-N 2.95Å; T72-H74 PolarHBondContact O-N 2.82Å; T72-I75 PolarHBondContact O-N 2.9Å; T72-A76 VanDerWaalsContact O-CB 3.26Å; T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.44Å |
| 73 | D | 89.6 | Confident | 86.9 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.5 | -66.5 | -20 | 0 | 0 | 0 | 111.7 | Q37 G69 F70 L71 A76 Q77 | Q37-D73 VanDerWaalsContact NE2-CG 3.33Å; Q37-D73 PolarHBondContact NE2-OD1 2.7Å; Q37-D73 PolarHBondContact NE2-OD2 3.26Å; G69-D73 VanDerWaalsContact O-CG 3.29Å; G69-D73 PolarHBondContact O-N 3.13Å; F70-D73 PolarHBondContact O-N 2.65Å; L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 2.98Å; D73-A76 PolarHBondContact O-N 3.02Å; D73-Q77 VanDerWaalsContact O-CB 3.29Å; D73-Q77 WeakPolarHBondContact O-CB 3.44Å; D73-Q77 WeakPolarHBondContact O-CG 3.33Å; D73-Q77 PolarHBondContact O-N 2.8Å |
| 74 | H | 89 | Confident | 86.8 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 177.4 | -74.9 | 74.9 | 0 | 0 | 0 | 112.9 | F70 L71 T72 R78 K79 I80 F106 | F70-H74 AromaticContact CD2-CE1 3.8Å; F70-H74 AromaticContact CE1-CE1 3.99Å; F70-H74 AromaticContact CE2-CE1 3.28Å; F70-H74 WeakPolarHBondContact CE2-CE1 3.37Å; F70-H74 AromaticContact CE2-ND1 3.97Å; F70-H74 AromaticContact CZ-CE1 3.37Å; F70-H74 WeakPolarHBondContact CZ-CE1 3.29Å; F70-H74 AromaticContact CZ-ND1 3.96Å; F70-H74 AromaticContact CZ-NE2 3.95Å; F70-H74 PolarHBondContact O-N 3Å; F70-H74 PolarHBondContact O-ND1 2.92Å; L71-H74 PolarHBondContact O-N 2.82Å; T72-H74 PolarHBondContact O-N 2.82Å; H74-R78 PolarHBondContact O-N 2.84Å; H74-K79 HydrophobicContact CB-CB 4.35Å; H74-K79 WeakPolarHBondContact O-CB 3.44Å; H74-K79 PolarHBondContact O-N 3.45Å; H74-I80 HydrophobicContact CB-CD1 3.96Å; H74-I80 HydrophobicContact CB-CG1 4.28Å; H74-I80 PolarHBondContact O-N 2.91Å; H74-F106 AromaticContact CD2-CE1 3.65Å; H74-F106 AromaticContact NE2-CE1 3.86Å |
| 75 | I | 89.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.6 | -44.7 | 173.5 | -67.3 | 166.1 | 0 | 0 | 0 | 110.1 | T51 L54 L55 M58 L71 T72 Q77 R78 I80 L86 | T51-I75 HydrophobicContact CG2-CG2 3.77Å; L54-I75 HydrophobicContact CB-CD1 4.46Å; L54-I75 HydrophobicContact CB-CG2 4.04Å; L54-I75 HydrophobicContact CD1-CG2 4.5Å; L55-I75 HydrophobicContact CD2-CB 4.18Å; L55-I75 HydrophobicContact CD2-CD1 4.11Å; L55-I75 HydrophobicContact CD2-CG2 3.86Å; L55-I75 HydrophobicContact CG-CG2 4.09Å; M58-I75 HydrophobicContact CB-CD1 3.99Å; M58-I75 HydrophobicContact CE-CD1 4.44Å; M58-I75 HydrophobicContact CG-CD1 4.04Å; L71-I75 VanDerWaalsContact O-CG1 3.32Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.95Å; T72-I75 PolarHBondContact O-N 2.9Å; I75-Q77 PolarHBondContact O-N 2.82Å; I75-R78 WeakPolarHBondContact O-CA 3.24Å; I75-R78 PolarHBondContact O-N 2.79Å; I75-I80 HydrophobicContact CG1-CB 4.11Å; I75-I80 HydrophobicContact CG1-CG2 4.18Å; I75-L86 HydrophobicContact CD1-CD1 4.17Å |
| 76 | A | 88.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -37.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A38 V41 L42 T72 D73 R78 | A38-A76 HydrophobicContact CB-CB 4.08Å; V41-A76 HydrophobicContact CB-CB 3.89Å; V41-A76 HydrophobicContact CG1-CB 3.84Å; V41-A76 HydrophobicContact CG2-CB 4.48Å; L42-A76 HydrophobicContact CD1-CB 4.39Å; L42-A76 VanDerWaalsContact CD2-O 3.23Å; L42-A76 WeakPolarHBondContact CD2-O 3.37Å; L42-A76 HydrophobicContact CG-CB 4.29Å; T72-A76 VanDerWaalsContact O-CB 3.26Å; T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.44Å; D73-A76 PolarHBondContact O-N 3.02Å; A76-R78 PolarHBondContact O-N 3.37Å |
| 77 | Q | 87.2 | Confident | 87.4 | Confident | 104 Ų | 104 | 41.1 Ų | 41.1 | 49% | 0.486 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 2.6 | 173.5 | -68.8 | 172.9 | 8.3 | 0 | 0 | 113.5 | V41 D73 I75 K79 | V41-Q77 HydrophobicContact CG1-CG 4.09Å; D73-Q77 VanDerWaalsContact O-CB 3.29Å; D73-Q77 WeakPolarHBondContact O-CB 3.44Å; D73-Q77 WeakPolarHBondContact O-CG 3.33Å; D73-Q77 PolarHBondContact O-N 2.8Å; I75-Q77 PolarHBondContact O-N 2.82Å; Q77-K79 HydrophobicContact CB-CG 4.24Å; Q77-K79 PolarHBondContact O-N 3.37Å |
| 78 | R | 85.2 | Confident | 87.4 | Confident | 163 Ų | 163 | 41.3 Ų | 41.3 | 62% | 0.615 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 25.2 | -175.7 | -61.2 | -174.3 | 167.6 | -172.3 | -1.9 | 114.5 | D48 H74 I75 A76 | D48-R78 IonicContact OD2-CZ 2.81Å; D48-R78 IonicContact OD2-NH2 3.74Å; D48-R78 PolarHBondContact OD2-NH2 2.81Å; H74-R78 PolarHBondContact O-N 2.84Å; I75-R78 WeakPolarHBondContact O-CA 3.24Å; I75-R78 PolarHBondContact O-N 2.79Å; A76-R78 PolarHBondContact O-N 3.37Å |
| 79 | K | 85.1 | Confident | 87.4 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -72.2 | -34.8 | 170.7 | -74 | -176 | 172.9 | -165.9 | 0 | 111.6 | H74 Q77 E107 V112 | H74-K79 HydrophobicContact CB-CB 4.35Å; H74-K79 WeakPolarHBondContact O-CB 3.44Å; H74-K79 PolarHBondContact O-N 3.45Å; Q77-K79 HydrophobicContact CB-CG 4.24Å; Q77-K79 PolarHBondContact O-N 3.37Å; K79-E107 IonicContact NZ-OE1 3.94Å; K79-E107 PolarHBondContact NZ-OE1 2.94Å; K79-V112 HydrophobicContact CB-CG1 3.64Å; K79-V112 HydrophobicContact CB-CG2 4.43Å; K79-V112 HydrophobicContact CD-CG1 3.99Å; K79-V112 HydrophobicContact CG-CG1 3.89Å |
| 80 | I | 86.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -112 | 108.3 | 171.3 | -64.6 | 172.6 | 0 | 0 | 0 | 107.2 | L71 H74 I75 Q85 L86 A89 F106 V112 | L71-I80 HydrophobicContact CD2-CD1 4.45Å; H74-I80 HydrophobicContact CB-CD1 3.96Å; H74-I80 HydrophobicContact CB-CG1 4.28Å; H74-I80 PolarHBondContact O-N 2.91Å; I75-I80 HydrophobicContact CG1-CB 4.11Å; I75-I80 HydrophobicContact CG1-CG2 4.18Å; I80-Q85 HydrophobicContact CG2-CB 3.92Å; I80-L86 HydrophobicContact CG2-CB 3.94Å; I80-A89 HydrophobicContact CD1-CB 3.72Å; I80-F106 HydrophobicContact CD1-CZ 4.06Å; I80-V112 HydrophobicContact CG1-CG2 4.27Å | ||
| 81 | C | 85.6 | Confident | 87.5 | Confident | 80 Ų | 80 | 44.2 Ų | 44.2 | 54% | 0.541 | 22% | 0.222 | S | C | . | . | trans | -120.5 | -5.3 | -175.4 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | Q85 | C81-Q85 PolarHBondContact SG-OE1 2.76Å; C81-Q85 VanDerWaalsContact SG-OE1 3.34Å | ||
| 82 | T | 83.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 26% | 0.258 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -124.2 | 154.1 | 179.3 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | L84 Q85 L86 | T82-L84 PolarHBondContact O-N 2.92Å; T82-Q85 VanDerWaalsContact N-OE1 3.11Å; T82-Q85 PolarHBondContact O-N 2.96Å; T82-Q85 WeakPolarHBondContact OG1-CB 3.33Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.15Å; T82-Q85 PolarHBondContact OG1-N 2.75Å; T82-Q85 PolarHBondContact OG1-OE1 2.88Å; T82-Q85 VanDerWaalsContact OG1-OE1 3.11Å; T82-L86 PolarHBondContact O-N 2.99Å |
| 83 | E | 83.8 | Confident | 87.3 | Confident | 125 Ų | 125 | 44.9 Ų | 44.9 | 58% | 0.584 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.1 | -29.6 | 175.1 | -71.7 | -166.4 | 166.5 | 0 | 0 | 112.8 | L54 L86 A87 | L54-E83 HydrophobicContact CD2-CG 4.28Å; E83-L86 PolarHBondContact O-N 3.15Å; E83-A87 WeakPolarHBondContact O-CB 3.42Å; E83-A87 PolarHBondContact O-N 3.37Å |
| 84 | L | 83.6 | Confident | 87.2 | Confident | 80 Ų | 80 | 50 Ų | 50 | 42% | 0.419 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -72 | -45.3 | 179.5 | -168.8 | 74.4 | 0 | 0 | 0 | 111.6 | T82 L86 A87 A88 M157 W158 | T82-L84 PolarHBondContact O-N 2.92Å; L84-L86 PolarHBondContact O-N 3.22Å; L84-A87 PolarHBondContact O-N 3.01Å; L84-A88 PolarHBondContact O-N 3.17Å; L84-M157 HydrophobicContact CD2-CG 4.26Å; L84-M157 WeakPolarHBondContact CD2-O 3.36Å; L84-W158 HydrophobicContact CD2-CE3 3.86Å; L84-W158 HydrophobicContact CD2-CZ3 4.21Å; L84-W158 HydrophobicContact CG-CE3 4.13Å; L84-W158 HydrophobicContact CG-CZ3 4.07Å |
| 85 | Q | 87.3 | Confident | 87 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 172.4 | -70.1 | 170.4 | -38.4 | 0 | 0 | 110.6 | I80 C81 T82 A88 A89 C110 G111 W158 | I80-Q85 HydrophobicContact CG2-CB 3.92Å; C81-Q85 PolarHBondContact SG-OE1 2.76Å; C81-Q85 VanDerWaalsContact SG-OE1 3.34Å; T82-Q85 VanDerWaalsContact N-OE1 3.11Å; T82-Q85 PolarHBondContact O-N 2.96Å; T82-Q85 WeakPolarHBondContact OG1-CB 3.33Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.15Å; T82-Q85 PolarHBondContact OG1-N 2.75Å; T82-Q85 PolarHBondContact OG1-OE1 2.88Å; T82-Q85 VanDerWaalsContact OG1-OE1 3.11Å; Q85-A88 PolarHBondContact O-N 3.2Å; Q85-A89 VanDerWaalsContact O-CB 3.3Å; Q85-A89 WeakPolarHBondContact O-CB 3.03Å; Q85-A89 PolarHBondContact O-N 3.18Å; Q85-C110 VanDerWaalsContact CG-O 3.31Å; Q85-C110 WeakPolarHBondContact CG-O 3.37Å; Q85-G111 PolarHBondContact NE2-O 2.94Å; Q85-W158 HydrophobicContact CB-CZ3 4.49Å; Q85-W158 HydrophobicContact CG-CE3 3.74Å; Q85-W158 HydrophobicContact CG-CZ3 4.09Å |
| 86 | L | 89.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 175.5 | 177.4 | 58.9 | 0 | 0 | 0 | 112.3 | L54 T57 M58 I75 I80 T82 E83 L84 A89 L90 | L54-L86 HydrophobicContact CB-CD2 4.46Å; L54-L86 HydrophobicContact CD2-CB 4.47Å; L54-L86 HydrophobicContact CD2-CD2 4.07Å; L54-L86 WeakPolarHBondContact O-CD2 3.18Å; T57-L86 HydrophobicContact CG2-CD2 3.91Å; M58-L86 HydrophobicContact CB-CD1 3.76Å; M58-L86 HydrophobicContact CB-CD2 4.03Å; M58-L86 HydrophobicContact CG-CD1 3.94Å; I75-L86 HydrophobicContact CD1-CD1 4.17Å; I80-L86 HydrophobicContact CG2-CB 3.94Å; T82-L86 PolarHBondContact O-N 2.99Å; E83-L86 PolarHBondContact O-N 3.15Å; L84-L86 PolarHBondContact O-N 3.22Å; L86-A89 PolarHBondContact O-N 3.45Å; L86-L90 HydrophobicContact CD1-CD1 4.25Å; L86-L90 HydrophobicContact CD1-CG 4.16Å; L86-L90 HydrophobicContact CG-CD1 4.13Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 3.42Å; L86-L90 PolarHBondContact O-N 3Å |
| 87 | A | 87.6 | Confident | 86.2 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E83 L84 L90 E91 | E83-A87 WeakPolarHBondContact O-CB 3.42Å; E83-A87 PolarHBondContact O-N 3.37Å; L84-A87 PolarHBondContact O-N 3.01Å; A87-L90 PolarHBondContact O-N 2.7Å; A87-E91 PolarHBondContact O-N 2.94Å |
| 88 | A | 87.7 | Confident | 85.9 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L84 Q85 L90 E91 F92 W158 | L84-A88 PolarHBondContact O-N 3.17Å; Q85-A88 PolarHBondContact O-N 3.2Å; A88-L90 PolarHBondContact O-N 2.78Å; A88-E91 PolarHBondContact O-N 2.91Å; A88-F92 WeakPolarHBondContact O-CB 3.34Å; A88-F92 PolarHBondContact O-N 3.03Å; A88-W158 HydrophobicContact CB-CH2 3.55Å; A88-W158 HydrophobicContact CB-CZ3 3.86Å |
| 89 | A | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L71 I80 Q85 L86 F92 V93 F106 C110 | L71-A89 HydrophobicContact CD2-CB 3.9Å; I80-A89 HydrophobicContact CD1-CB 3.72Å; Q85-A89 VanDerWaalsContact O-CB 3.3Å; Q85-A89 WeakPolarHBondContact O-CB 3.03Å; Q85-A89 PolarHBondContact O-N 3.18Å; L86-A89 PolarHBondContact O-N 3.45Å; A89-F92 PolarHBondContact O-N 3.29Å; A89-V93 WeakPolarHBondContact O-CB 3.37Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.4Å; A89-V93 PolarHBondContact O-N 2.87Å; A89-F106 HydrophobicContact CB-CE2 3.82Å; A89-F106 HydrophobicContact CB-CZ 3.88Å; A89-C110 WeakPolarHBondContact CA-SG 3.39Å; A89-C110 HydrophobicContact CB-CB 4.42Å |
| 90 | L | 89.3 | Confident | 85.4 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -37.1 | 174.9 | -71.9 | 168.7 | 0 | 0 | 0 | 112.1 | R61 L62 L71 L86 A87 A88 K94 | R61-L90 HydrophobicContact CB-CD1 3.72Å; L62-L90 HydrophobicContact CB-CD2 4.13Å; L62-L90 HydrophobicContact CD1-CD2 3.91Å; L71-L90 HydrophobicContact CD1-CD2 4.07Å; L86-L90 HydrophobicContact CD1-CD1 4.25Å; L86-L90 HydrophobicContact CD1-CG 4.16Å; L86-L90 HydrophobicContact CG-CD1 4.13Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 VanDerWaalsContact O-CG 3.26Å; L86-L90 WeakPolarHBondContact O-CG 3.42Å; L86-L90 PolarHBondContact O-N 3Å; A87-L90 PolarHBondContact O-N 2.7Å; A88-L90 PolarHBondContact O-N 2.78Å; L90-K94 WeakPolarHBondContact O-CB 3.36Å; L90-K94 PolarHBondContact O-N 3.4Å; L90-K94 VanDerWaalsContact O-N 3.15Å |
| 91 | E | 88.6 | Confident | 85.2 | Confident | 139 Ų | 139 | 64.8 Ų | 64.8 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70.7 | -40.2 | 175.5 | -175.7 | 166.4 | -160 | 0 | 0 | 112.2 | A87 A88 K94 S95 | A87-E91 PolarHBondContact O-N 2.94Å; A88-E91 PolarHBondContact O-N 2.91Å; E91-K94 PolarHBondContact O-N 2.99Å; E91-S95 WeakPolarHBondContact O-CB 3.31Å; E91-S95 PolarHBondContact O-N 3.48Å; E91-S95 PolarHBondContact O-OG 2.82Å |
| 92 | F | 88.4 | Confident | 85.2 | Confident | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -51.3 | 175.2 | -176.5 | -83.1 | 0 | 0 | 0 | 110.9 | A88 A89 K94 S95 H96 I101 E105 F106 L109 | A88-F92 WeakPolarHBondContact O-CB 3.34Å; A88-F92 PolarHBondContact O-N 3.03Å; A89-F92 PolarHBondContact O-N 3.29Å; F92-K94 PolarHBondContact O-N 3.29Å; F92-S95 WeakPolarHBondContact CA-OG 3.46Å; F92-S95 PolarHBondContact O-N 3.31Å; F92-S95 VanDerWaalsContact O-N 3.1Å; F92-S95 PolarHBondContact O-OG 3.37Å; F92-H96 HydrophobicContact CD1-CB 4.4Å; F92-H96 AromaticContact CD2-CE1 3.96Å; F92-H96 AromaticContact CD2-ND1 3.78Å; F92-H96 HydrophobicContact CE1-CB 4.03Å; F92-H96 AromaticContact CE2-CE1 3.72Å; F92-H96 AromaticContact CE2-ND1 3.69Å; F92-H96 HydrophobicContact CZ-CB 4.31Å; F92-H96 AromaticContact CZ-CG 3.86Å; F92-H96 AromaticContact CZ-ND1 3.91Å; F92-H96 WeakPolarHBondContact O-CB 3.39Å; F92-H96 PolarHBondContact O-N 3.15Å; F92-H96 PolarHBondContact O-ND1 3.06Å; F92-H96 VanDerWaalsContact O-ND1 3.1Å; F92-I101 HydrophobicContact CE1-CG2 3.94Å; F92-E105 HydrophobicContact CE2-CG 4.06Å; F92-E105 HydrophobicContact CZ-CG 4.37Å; F92-F106 HydrophobicContact CB-CD2 4.35Å; F92-F106 HydrophobicContact CD1-CB 4.32Å; F92-F106 AromaticContact CD1-CD2 3.45Å; F92-F106 HydrophobicContact CD1-CD2 3.45Å; F92-F106 VanDerWaalsContact CD1-CD2 3.45Å; F92-F106 HydrophobicContact CD1-CE2 4.25Å; F92-F106 HydrophobicContact CD1-CG 4.37Å; F92-F106 HydrophobicContact CE1-CB 3.89Å; F92-F106 AromaticContact CE1-CD2 3.85Å; F92-F106 HydrophobicContact CE1-CD2 3.85Å; F92-F106 HydrophobicContact CE1-CG 4.37Å; F92-F106 AromaticContact CG-CD2 3.9Å; F92-F106 HydrophobicContact CG-CD2 3.9Å; F92-F106 HydrophobicContact CZ-CB 4.05Å; F92-L109 HydrophobicContact CD2-CB 4.21Å; F92-L109 HydrophobicContact CD2-CD1 3.81Å; F92-L109 HydrophobicContact CE2-CD1 3.7Å |
| 93 | V | 88.3 | Confident | 85.2 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 179.2 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | R67 L71 A89 F106 | R67-V93 HydrophobicContact CB-CG1 3.65Å; R67-V93 HydrophobicContact CG-CG1 3.39Å; L71-V93 HydrophobicContact CD1-CG2 4.37Å; L71-V93 HydrophobicContact CD2-CG2 4.24Å; L71-V93 HydrophobicContact CG-CG2 4.48Å; A89-V93 WeakPolarHBondContact O-CB 3.37Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.4Å; A89-V93 PolarHBondContact O-N 2.87Å; V93-F106 HydrophobicContact CG2-CE2 4.49Å |
| 94 | K | 87.1 | Confident | 85.1 | Confident | 156 Ų | 156 | 69.3 Ų | 69.3 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.1 | -36.4 | 176.1 | -174.8 | -174.7 | 174 | -164 | 0 | 112.8 | L90 E91 F92 | L90-K94 WeakPolarHBondContact O-CB 3.36Å; L90-K94 PolarHBondContact O-N 3.4Å; L90-K94 VanDerWaalsContact O-N 3.15Å; E91-K94 PolarHBondContact O-N 2.99Å; F92-K94 PolarHBondContact O-N 3.29Å |
| 95 | S | 85.5 | Confident | 85.1 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 49% | 0.49 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -83.1 | -20.2 | -179.1 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | E91 F92 P97 | E91-S95 WeakPolarHBondContact O-CB 3.31Å; E91-S95 PolarHBondContact O-N 3.48Å; E91-S95 PolarHBondContact O-OG 2.82Å; F92-S95 WeakPolarHBondContact CA-OG 3.46Å; F92-S95 PolarHBondContact O-N 3.31Å; F92-S95 VanDerWaalsContact O-N 3.1Å; F92-S95 PolarHBondContact O-OG 3.37Å; S95-P97 VanDerWaalsContact C-CD 3.45Å; S95-P97 VanDerWaalsContact O-CD 3.23Å; S95-P97 WeakPolarHBondContact O-CD 3.21Å |
| 96 | H | 83.9 | Confident | 85.1 | Confident | 69 Ų | 69 | 69 Ų | 69 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | trans | -119.6 | 74.6 | -177.8 | -61.3 | 78.2 | 0 | 0 | 0 | 111.5 | F92 Q98 | F92-H96 HydrophobicContact CD1-CB 4.4Å; F92-H96 AromaticContact CD2-CE1 3.96Å; F92-H96 AromaticContact CD2-ND1 3.78Å; F92-H96 HydrophobicContact CE1-CB 4.03Å; F92-H96 AromaticContact CE2-CE1 3.72Å; F92-H96 AromaticContact CE2-ND1 3.69Å; F92-H96 HydrophobicContact CZ-CB 4.31Å; F92-H96 AromaticContact CZ-CG 3.86Å; F92-H96 AromaticContact CZ-ND1 3.91Å; F92-H96 WeakPolarHBondContact O-CB 3.39Å; F92-H96 PolarHBondContact O-N 3.15Å; F92-H96 PolarHBondContact O-ND1 3.06Å; F92-H96 VanDerWaalsContact O-ND1 3.1Å; H96-Q98 PolarHBondContact O-N 3.11Å | ||
| 97 | P | 78.3 | Confident | 85 | Confident | 94 Ų | 94 | 71.3 Ų | 71.3 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | trans | -74.5 | -8.5 | -178.7 | 31.1 | -36.2 | 0 | 0 | 0 | 113.8 | S95 | S95-P97 VanDerWaalsContact C-CD 3.45Å; S95-P97 VanDerWaalsContact O-CD 3.23Å; S95-P97 WeakPolarHBondContact O-CD 3.21Å | ||
| 98 | Q | 79.8 | Confident | 84.7 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.762 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -78.9 | 145.2 | -176.1 | -58.2 | -161.8 | 14.2 | 0 | 0 | 112.4 | R67 H96 | R67-Q98 PolarHBondContact NH2-O 3.36Å; H96-Q98 PolarHBondContact O-N 3.11Å |
| 99 | D | 78.1 | Confident | 84.5 | Confident | 104 Ų | 104 | 78 Ų | 78 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -106 | 139.4 | 172.4 | -76.2 | -42.8 | 0 | 0 | 0 | 110.4 | R67 | R67-D99 IonicContact CZ-OD1 3.06Å; R67-D99 IonicContact NH1-OD1 3.61Å; R67-D99 PolarHBondContact NH1-OD1 3.44Å; R67-D99 IonicContact NH2-OD1 3.6Å; R67-D99 PolarHBondContact NH2-OD1 3.16Å; R67-D99 IonicContact NH2-OD2 2.82Å |
| 100 | P | 81.4 | Confident | 84.3 | Confident | 124 Ų | 124 | 78 Ų | 78 | 81% | 0.805 | 41% | 0.409 | S | S | * | . | S | Bend | cis | -79.9 | 151.4 | -2.5 | 32.5 | -34.4 | 0 | 0 | 0 | 113.3 | N102 | P100-N102 PolarHBondContact O-N 3.41Š|
| 101 | I | 83.3 | Confident | 83.8 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | trans | -65.3 | 129.8 | 169.6 | -73.7 | 173.4 | 0 | 0 | 0 | 109.3 | R67 F70 F92 Q103 F106 | R67-I101 VanDerWaalsContact CZ-CD1 3.48Å; R67-I101 VanDerWaalsContact NH1-CD1 3.33Å; F70-I101 HydrophobicContact CD1-CD1 4.25Å; F70-I101 HydrophobicContact CE1-CD1 4.19Å; F70-I101 HydrophobicContact CZ-CG2 4.17Å; F92-I101 HydrophobicContact CE1-CG2 3.94Å; I101-Q103 PolarHBondContact O-N 2.95Å; I101-Q103 VanDerWaalsContact O-N 3.13Å; I101-F106 HydrophobicContact CG2-CB 4.05Å | ||
| 102 | N | 85.2 | Confident | 83.4 | Confident | 83 Ų | 83 | 71.6 Ų | 71.6 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | trans | -69.1 | 107.2 | 168.7 | -176.2 | -11.7 | 0 | 0 | 0 | 109.8 | P100 Q104 E105 F106 | P100-N102 PolarHBondContact O-N 3.41Å; N102-Q104 PolarHBondContact O-N 2.92Å; N102-Q104 PolarHBondContact OD1-N 3.44Å; N102-E105 HydrophobicContact CB-CB 3.94Å; N102-E105 PolarHBondContact ND2-OE2 3.23Å; N102-E105 PolarHBondContact O-N 3.11Å; N102-E105 PolarHBondContact OD1-N 3.31Å; N102-F106 WeakPolarHBondContact O-CB 3.31Å; N102-F106 PolarHBondContact O-N 2.91Å | ||
| 103 | Q | 83.1 | Confident | 82.7 | Confident | 98 Ų | 98 | 74.4 Ų | 74.4 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | -175.1 | -173.2 | 171.4 | -5.9 | 0 | 0 | 112.9 | I101 E105 F106 E107 | I101-Q103 PolarHBondContact O-N 2.95Å; I101-Q103 VanDerWaalsContact O-N 3.13Å; Q103-E105 VanDerWaalsContact C-N 3.35Å; Q103-F106 PolarHBondContact O-N 3.33Å; Q103-E107 HydrophobicContact CG-CG 4.25Å; Q103-E107 PolarHBondContact NE2-OE1 3.24Å; Q103-E107 WeakPolarHBondContact O-CB 3.28Å; Q103-E107 VanDerWaalsContact O-CG 3.29Å; Q103-E107 WeakPolarHBondContact O-CG 3.38Å; Q103-E107 PolarHBondContact O-N 3.36Å |
| 104 | Q | 82.1 | Confident | 82.2 | Confident | 161 Ų | 161 | 77.3 Ų | 77.3 | 75% | 0.752 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | 179.5 | -72.6 | -176.7 | -9.4 | 0 | 0 | 111.6 | N102 S108 | N102-Q104 PolarHBondContact O-N 2.92Å; N102-Q104 PolarHBondContact OD1-N 3.44Å; Q104-S108 WeakPolarHBondContact O-CB 3.35Å; Q104-S108 PolarHBondContact O-N 3.48Å |
| 105 | E | 84.8 | Confident | 81.7 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 38% | 0.379 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 178 | -169.5 | 174.6 | -166.9 | 0 | 0 | 111.6 | F92 N102 Q103 L109 | F92-E105 HydrophobicContact CE2-CG 4.06Å; F92-E105 HydrophobicContact CZ-CG 4.37Å; N102-E105 HydrophobicContact CB-CB 3.94Å; N102-E105 PolarHBondContact ND2-OE2 3.23Å; N102-E105 PolarHBondContact O-N 3.11Å; N102-E105 PolarHBondContact OD1-N 3.31Å; Q103-E105 VanDerWaalsContact C-N 3.35Å; E105-L109 HydrophobicContact CG-CD1 3.93Å; E105-L109 WeakPolarHBondContact O-CB 3.35Å; E105-L109 WeakPolarHBondContact O-CG 3.4Å; E105-L109 PolarHBondContact O-N 3.27Å |
| 106 | F | 86.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 172.8 | 175 | -102 | 0 | 0 | 0 | 111.9 | F70 L71 H74 I80 A89 F92 V93 I101 N102 Q103 S108 L109 C110 | F70-F106 HydrophobicContact CD1-CZ 4.49Å; F70-F106 AromaticContact CE1-CD1 3.81Å; F70-F106 HydrophobicContact CE1-CD1 3.81Å; F70-F106 HydrophobicContact CE1-CD2 4.07Å; F70-F106 AromaticContact CE1-CE1 3.59Å; F70-F106 HydrophobicContact CE1-CE1 3.59Å; F70-F106 AromaticContact CE1-CE2 3.85Å; F70-F106 HydrophobicContact CE1-CE2 3.85Å; F70-F106 HydrophobicContact CE1-CG 4.04Å; F70-F106 AromaticContact CE1-CZ 3.61Å; F70-F106 HydrophobicContact CE1-CZ 3.61Å; F70-F106 AromaticContact CZ-CD1 3.69Å; F70-F106 HydrophobicContact CZ-CD1 3.69Å; F70-F106 AromaticContact CZ-CE1 3.83Å; F70-F106 HydrophobicContact CZ-CE1 3.83Å; F70-F106 HydrophobicContact CZ-CG 4.07Å; F70-F106 HydrophobicContact CZ-CZ 4.32Å; L71-F106 HydrophobicContact CD2-CE2 4.09Å; L71-F106 HydrophobicContact CD2-CZ 3.75Å; H74-F106 AromaticContact CD2-CE1 3.65Å; H74-F106 AromaticContact NE2-CE1 3.86Å; I80-F106 HydrophobicContact CD1-CZ 4.06Å; A89-F106 HydrophobicContact CB-CE2 3.82Å; A89-F106 HydrophobicContact CB-CZ 3.88Å; F92-F106 HydrophobicContact CB-CD2 4.35Å; F92-F106 HydrophobicContact CD1-CB 4.32Å; F92-F106 AromaticContact CD1-CD2 3.45Å; F92-F106 HydrophobicContact CD1-CD2 3.45Å; F92-F106 VanDerWaalsContact CD1-CD2 3.45Å; F92-F106 HydrophobicContact CD1-CE2 4.25Å; F92-F106 HydrophobicContact CD1-CG 4.37Å; F92-F106 HydrophobicContact CE1-CB 3.89Å; F92-F106 AromaticContact CE1-CD2 3.85Å; F92-F106 HydrophobicContact CE1-CD2 3.85Å; F92-F106 HydrophobicContact CE1-CG 4.37Å; F92-F106 AromaticContact CG-CD2 3.9Å; F92-F106 HydrophobicContact CG-CD2 3.9Å; F92-F106 HydrophobicContact CZ-CB 4.05Å; V93-F106 HydrophobicContact CG2-CE2 4.49Å; I101-F106 HydrophobicContact CG2-CB 4.05Å; N102-F106 WeakPolarHBondContact O-CB 3.31Å; N102-F106 PolarHBondContact O-N 2.91Å; Q103-F106 PolarHBondContact O-N 3.33Å; F106-S108 VanDerWaalsContact C-N 3.34Å; F106-S108 PolarHBondContact O-N 3.39Å; F106-L109 PolarHBondContact O-N 3.42Å; F106-C110 VanDerWaalsContact CD2-SG 3.59Å; F106-C110 WeakPolarHBondContact CE2-SG 3.14Å; F106-C110 VanDerWaalsContact O-CB 3.22Å; F106-C110 WeakPolarHBondContact O-CB 3.33Å; F106-C110 PolarHBondContact O-N 3.33Å; F106-C110 PolarHBondContact O-SG 2.9Å |
| 107 | E | 86 | Confident | 81.3 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | -178 | -73.5 | -179.7 | 171.9 | 0 | 0 | 111.1 | K79 Q103 G111 V112 | K79-E107 IonicContact NZ-OE1 3.94Å; K79-E107 PolarHBondContact NZ-OE1 2.94Å; Q103-E107 HydrophobicContact CG-CG 4.25Å; Q103-E107 PolarHBondContact NE2-OE1 3.24Å; Q103-E107 WeakPolarHBondContact O-CB 3.28Å; Q103-E107 VanDerWaalsContact O-CG 3.29Å; Q103-E107 WeakPolarHBondContact O-CG 3.38Å; Q103-E107 PolarHBondContact O-N 3.36Å; E107-G111 PolarHBondContact O-N 3.43Å; E107-V112 HydrophobicContact CB-CB 3.91Å; E107-V112 HydrophobicContact CB-CG1 4.27Å; E107-V112 HydrophobicContact CB-CG2 4.49Å; E107-V112 HydrophobicContact CG-CB 4.05Å; E107-V112 HydrophobicContact CG-CG1 3.98Å; E107-V112 HydrophobicContact CG-CG2 4.4Å; E107-V112 WeakPolarHBondContact O-CB 3.37Å; E107-V112 PolarHBondContact O-N 3.23Å |
| 108 | S | 83.1 | Confident | 81.4 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 64% | 0.643 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 113.3 | Q104 F106 | Q104-S108 WeakPolarHBondContact O-CB 3.35Å; Q104-S108 PolarHBondContact O-N 3.48Å; F106-S108 VanDerWaalsContact C-N 3.34Å; F106-S108 PolarHBondContact O-N 3.39Å |
| 109 | L | 82.8 | Confident | 81.4 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -78.1 | -23.6 | -176.3 | -74.5 | 169.3 | 0 | 0 | 0 | 113.1 | F92 E105 F106 W158 | F92-L109 HydrophobicContact CD2-CB 4.21Å; F92-L109 HydrophobicContact CD2-CD1 3.81Å; F92-L109 HydrophobicContact CE2-CD1 3.7Å; E105-L109 HydrophobicContact CG-CD1 3.93Å; E105-L109 WeakPolarHBondContact O-CB 3.35Å; E105-L109 WeakPolarHBondContact O-CG 3.4Å; E105-L109 PolarHBondContact O-N 3.27Å; F106-L109 PolarHBondContact O-N 3.42Å; L109-W158 WeakPolarHBondContact O-CH2 3.26Å; L109-W158 VanDerWaalsContact O-CZ2 3.31Å; L109-W158 WeakPolarHBondContact O-CZ2 3.18Å |
| 110 | C | 83.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 3 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 113 | Q85 A89 F106 V112 | Q85-C110 VanDerWaalsContact CG-O 3.31Å; Q85-C110 WeakPolarHBondContact CG-O 3.37Å; A89-C110 WeakPolarHBondContact CA-SG 3.39Å; A89-C110 HydrophobicContact CB-CB 4.42Å; F106-C110 VanDerWaalsContact CD2-SG 3.59Å; F106-C110 WeakPolarHBondContact CE2-SG 3.14Å; F106-C110 VanDerWaalsContact O-CB 3.22Å; F106-C110 WeakPolarHBondContact O-CB 3.33Å; F106-C110 PolarHBondContact O-N 3.33Å; F106-C110 PolarHBondContact O-SG 2.9Å; C110-V112 VanDerWaalsContact C-N 3.26Å; C110-V112 HydrophobicContact CB-CG2 4.16Å; C110-V112 PolarHBondContact O-N 3Å |
| 111 | G | 80.4 | Confident | 82 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 29.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q85 E107 G113 V114 | Q85-G111 PolarHBondContact NE2-O 2.94Å; E107-G111 PolarHBondContact O-N 3.43Å; G111-G113 PolarHBondContact O-N 2.8Å; G111-V114 WeakPolarHBondContact O-CB 3.4Å; G111-V114 PolarHBondContact O-N 2.98Å |
| 112 | V | 80.1 | Confident | 82.1 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 128.2 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 108.7 | K79 I80 E107 C110 V114 | K79-V112 HydrophobicContact CB-CG1 3.64Å; K79-V112 HydrophobicContact CB-CG2 4.43Å; K79-V112 HydrophobicContact CD-CG1 3.99Å; K79-V112 HydrophobicContact CG-CG1 3.89Å; I80-V112 HydrophobicContact CG1-CG2 4.27Å; E107-V112 HydrophobicContact CB-CB 3.91Å; E107-V112 HydrophobicContact CB-CG1 4.27Å; E107-V112 HydrophobicContact CB-CG2 4.49Å; E107-V112 HydrophobicContact CG-CB 4.05Å; E107-V112 HydrophobicContact CG-CG1 3.98Å; E107-V112 HydrophobicContact CG-CG2 4.4Å; E107-V112 WeakPolarHBondContact O-CB 3.37Å; E107-V112 PolarHBondContact O-N 3.23Å; C110-V112 VanDerWaalsContact C-N 3.26Å; C110-V112 HydrophobicContact CB-CG2 4.16Å; C110-V112 PolarHBondContact O-N 3Å; V112-V114 PolarHBondContact O-N 3.36Å |
| 113 | G | 73.5 | Confident | 82.1 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G111 V115 | G111-G113 PolarHBondContact O-N 2.8Å; G113-V115 PolarHBondContact O-N 3.47Å |
| 114 | V | 77.9 | Confident | 82.4 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | trans | -79.8 | 109.4 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 109 | G111 V112 I116 W158 | G111-V114 WeakPolarHBondContact O-CB 3.4Å; G111-V114 PolarHBondContact O-N 2.98Å; V112-V114 PolarHBondContact O-N 3.36Å; V114-I116 HydrophobicContact CG1-CD1 3.83Å; V114-I116 HydrophobicContact CG1-CG1 4.42Å; V114-W158 HydrophobicContact CG1-CB 4.49Å; V114-W158 HydrophobicContact CG1-CG 4.46Å | ||
| 115 | V | 76.9 | Confident | 82.8 | Confident | 117 Ų | 117 | 56.2 Ų | 56.2 | 71% | 0.709 | 32% | 0.321 | S | S | * | . | trans | -101.6 | 115.8 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | G113 | G113-V115 PolarHBondContact O-N 3.47Š| ||
| 116 | I | 80.1 | Confident | 83 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | trans | -88.4 | 121.5 | 171.3 | -55.3 | -59 | 0 | 0 | 0 | 108.5 | V114 Q120 I121 L156 W158 A159 | V114-I116 HydrophobicContact CG1-CD1 3.83Å; V114-I116 HydrophobicContact CG1-CG1 4.42Å; I116-Q120 HydrophobicContact CG2-CB 4.19Å; I116-I121 HydrophobicContact CG2-CD1 4.22Å; I116-I121 HydrophobicContact CG2-CG1 3.76Å; I116-L156 HydrophobicContact CD1-CD2 4.34Å; I116-L156 HydrophobicContact CG2-CD1 4.45Å; I116-L156 HydrophobicContact CG2-CD2 4.32Å; I116-W158 HydrophobicContact CG1-CB 4.34Å; I116-A159 HydrophobicContact CB-CB 4.4Å; I116-A159 HydrophobicContact CG1-CB 4.35Å; I116-A159 HydrophobicContact CG2-CB 4.04Å | ||
| 117 | T | 80.9 | Confident | 83.2 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 31% | 0.307 | 35% | 0.352 | S | S | . | . | trans | -86.2 | 155.6 | 179.5 | 81.6 | 0 | 0 | 0 | 0 | 111.3 | E119 Q120 I121 | T117-E119 WeakPolarHBondContact CB-OE2 3.43Å; T117-E119 PolarHBondContact O-N 3.33Å; T117-E119 PolarHBondContact OG1-OE2 2.9Å; T117-Q120 WeakPolarHBondContact O-CB 3.5Å; T117-Q120 PolarHBondContact O-N 3.06Å; T117-Q120 VanDerWaalsContact O-N 3.13Å; T117-Q120 PolarHBondContact OG1-N 3.43Å; T117-I121 PolarHBondContact O-N 3.28Å | ||
| 118 | P | 79.9 | Confident | 83.4 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.3 | -39.6 | 173.4 | -27.1 | 36.3 | 0 | 0 | 0 | 113 | Q120 I121 E122 | P118-Q120 VanDerWaalsContact C-N 3.32Å; P118-Q120 PolarHBondContact O-N 3.39Å; P118-I121 WeakPolarHBondContact O-CA 3.25Å; P118-I121 WeakPolarHBondContact O-CB 3.32Å; P118-I121 PolarHBondContact O-N 2.98Å; P118-I121 VanDerWaalsContact O-N 3.07Å; P118-E122 PolarHBondContact O-N 3.18Å |
| 119 | E | 79 | Confident | 83.7 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 47% | 0.467 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 179.4 | -57 | 78 | -171.6 | 0 | 0 | 111.8 | T117 I121 E122 D123 | T117-E119 WeakPolarHBondContact CB-OE2 3.43Å; T117-E119 PolarHBondContact O-N 3.33Å; T117-E119 PolarHBondContact OG1-OE2 2.9Å; E119-I121 VanDerWaalsContact C-N 3.31Å; E119-I121 PolarHBondContact O-N 2.8Å; E119-E122 PolarHBondContact O-N 3.36Å; E119-D123 WeakPolarHBondContact O-CB 3.32Å; E119-D123 PolarHBondContact O-N 3.04Å |
| 120 | Q | 84.7 | Confident | 84.1 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 174.7 | -70.3 | 176.8 | -33.3 | 0 | 0 | 111.8 | I116 T117 P118 K124 L156 | I116-Q120 HydrophobicContact CG2-CB 4.19Å; T117-Q120 WeakPolarHBondContact O-CB 3.5Å; T117-Q120 PolarHBondContact O-N 3.06Å; T117-Q120 VanDerWaalsContact O-N 3.13Å; T117-Q120 PolarHBondContact OG1-N 3.43Å; P118-Q120 VanDerWaalsContact C-N 3.32Å; P118-Q120 PolarHBondContact O-N 3.39Å; Q120-K124 VanDerWaalsContact O-CB 3.27Å; Q120-K124 WeakPolarHBondContact O-CB 3.49Å; Q120-K124 PolarHBondContact O-N 3.25Å; Q120-L156 HydrophobicContact CB-CD2 4.5Å |
| 121 | I | 87.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.9 | -49.3 | 174.9 | -59 | 175.1 | 0 | 0 | 0 | 109.6 | I116 T117 P118 E119 K124 V125 L156 A159 M163 I164 E167 | I116-I121 HydrophobicContact CG2-CD1 4.22Å; I116-I121 HydrophobicContact CG2-CG1 3.76Å; T117-I121 PolarHBondContact O-N 3.28Å; P118-I121 WeakPolarHBondContact O-CA 3.25Å; P118-I121 WeakPolarHBondContact O-CB 3.32Å; P118-I121 PolarHBondContact O-N 2.98Å; P118-I121 VanDerWaalsContact O-N 3.07Å; E119-I121 VanDerWaalsContact C-N 3.31Å; E119-I121 PolarHBondContact O-N 2.8Å; I121-K124 PolarHBondContact O-N 2.82Å; I121-V125 HydrophobicContact CG2-CG2 4.14Å; I121-V125 WeakPolarHBondContact O-CB 3.4Å; I121-V125 VanDerWaalsContact O-CG2 3.28Å; I121-V125 WeakPolarHBondContact O-CG2 3.23Å; I121-V125 PolarHBondContact O-N 3.15Å; I121-L156 HydrophobicContact CB-CD1 4.29Å; I121-L156 HydrophobicContact CG1-CD1 3.96Å; I121-A159 HydrophobicContact CD1-CB 4.27Å; I121-A159 HydrophobicContact CG1-CB 4.37Å; I121-M163 HydrophobicContact CD1-CB 3.86Å; I121-M163 HydrophobicContact CD1-CE 3.87Å; I121-M163 HydrophobicContact CD1-SD 4.47Å; I121-I164 HydrophobicContact CG2-CG1 4.06Å; I121-E167 HydrophobicContact CG2-CB 3.98Å; I121-E167 HydrophobicContact CG2-CG 4.1Å |
| 122 | E | 84.9 | Confident | 85 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -53.8 | -55.8 | 177.1 | -176.1 | -176 | 174.9 | 0 | 0 | 111.2 | P118 E119 K124 V125 E126 Q171 | P118-E122 PolarHBondContact O-N 3.18Å; E119-E122 PolarHBondContact O-N 3.36Å; E122-K124 PolarHBondContact O-N 2.88Å; E122-V125 PolarHBondContact O-N 3.37Å; E122-E126 WeakPolarHBondContact O-CB 3.45Å; E122-E126 PolarHBondContact O-N 2.88Å; E122-Q171 PolarHBondContact O-NE2 3.21Å; E122-Q171 VanDerWaalsContact O-NE2 3.14Å |
| 123 | D | 86.4 | Confident | 85.4 | Confident | 81 Ų | 81 | 72 Ų | 72 | 43% | 0.433 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.4 | -38.4 | 179.4 | -86.3 | -5.3 | 0 | 0 | 0 | 112.2 | E119 K127 | E119-D123 WeakPolarHBondContact O-CB 3.32Å; E119-D123 PolarHBondContact O-N 3.04Å; D123-K127 WeakPolarHBondContact O-CD 3.49Å; D123-K127 VanDerWaalsContact O-CG 3.23Å; D123-K127 WeakPolarHBondContact O-CG 3.47Å; D123-K127 PolarHBondContact O-N 2.79Å; D123-K127 VanDerWaalsContact O-N 3.15Å |
| 124 | K | 89.4 | Confident | 86.2 | Confident | 66 Ų | 66 | 75.3 Ų | 75.3 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73.5 | -45.4 | -179 | -176.4 | 67.3 | -173.9 | -171.4 | 0 | 110.9 | Q120 I121 E122 E126 K127 V128 L156 | Q120-K124 VanDerWaalsContact O-CB 3.27Å; Q120-K124 WeakPolarHBondContact O-CB 3.49Å; Q120-K124 PolarHBondContact O-N 3.25Å; I121-K124 PolarHBondContact O-N 2.82Å; E122-K124 PolarHBondContact O-N 2.88Å; K124-E126 VanDerWaalsContact C-N 3.31Å; K124-K127 PolarHBondContact O-N 2.97Å; K124-V128 VanDerWaalsContact O-CG2 3.32Å; K124-V128 WeakPolarHBondContact O-CG2 3.31Å; K124-V128 PolarHBondContact O-N 2.74Å; K124-L156 HydrophobicContact CB-CD1 3.64Å; K124-L156 HydrophobicContact CB-CG 4.14Å; K124-L156 HydrophobicContact CG-CD1 3.96Å; K124-L156 HydrophobicContact CG-CG 4.04Å |
| 125 | V | 89.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 109.8 | I121 E122 K127 V128 I129 A152 E167 V168 Q171 | I121-V125 HydrophobicContact CG2-CG2 4.14Å; I121-V125 WeakPolarHBondContact O-CB 3.4Å; I121-V125 VanDerWaalsContact O-CG2 3.28Å; I121-V125 WeakPolarHBondContact O-CG2 3.23Å; I121-V125 PolarHBondContact O-N 3.15Å; E122-V125 PolarHBondContact O-N 3.37Å; V125-K127 PolarHBondContact O-N 3.19Å; V125-V128 PolarHBondContact O-N 2.87Å; V125-V128 VanDerWaalsContact O-N 3.11Å; V125-I129 HydrophobicContact CG1-CD1 3.73Å; V125-I129 HydrophobicContact CG1-CG1 4.26Å; V125-I129 WeakPolarHBondContact O-CG1 3.5Å; V125-I129 PolarHBondContact O-N 2.83Å; V125-A152 HydrophobicContact CG2-CB 4.2Å; V125-E167 HydrophobicContact CB-CG 4.05Å; V125-E167 HydrophobicContact CG1-CG 4.23Å; V125-E167 HydrophobicContact CG2-CB 4.29Å; V125-E167 HydrophobicContact CG2-CG 3.99Å; V125-V168 HydrophobicContact CB-CG2 4.46Å; V125-V168 HydrophobicContact CG1-CB 4.38Å; V125-V168 HydrophobicContact CG1-CG2 3.73Å; V125-V168 HydrophobicContact CG2-CG2 3.82Å; V125-Q171 HydrophobicContact CG1-CB 4.4Å; V125-Q171 HydrophobicContact CG1-CG 4.34Å |
| 126 | E | 89.4 | Confident | 87.3 | Confident | 92 Ų | 92 | 72 Ų | 72 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 177 | -169.2 | -167.8 | 164 | 0 | 0 | 111 | E122 K124 V128 I129 K130 | E122-E126 WeakPolarHBondContact O-CB 3.45Å; E122-E126 PolarHBondContact O-N 2.88Å; K124-E126 VanDerWaalsContact C-N 3.31Å; E126-V128 VanDerWaalsContact C-N 3.32Å; E126-V128 PolarHBondContact O-N 3.16Å; E126-I129 PolarHBondContact O-N 2.8Å; E126-K130 VanDerWaalsContact O-CB 3.26Å; E126-K130 WeakPolarHBondContact O-CB 3.34Å; E126-K130 PolarHBondContact O-N 2.71Å |
| 127 | K | 90.1 | Very high | 87.6 | Confident | 137 Ų | 137 | 74.5 Ų | 74.5 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.1 | -40.5 | 176 | -75.1 | 166.7 | -172.3 | 162.5 | 0 | 112.4 | D123 K124 V125 K131 | D123-K127 WeakPolarHBondContact O-CD 3.49Å; D123-K127 VanDerWaalsContact O-CG 3.23Å; D123-K127 WeakPolarHBondContact O-CG 3.47Å; D123-K127 PolarHBondContact O-N 2.79Å; D123-K127 VanDerWaalsContact O-N 3.15Å; K124-K127 PolarHBondContact O-N 2.97Å; V125-K127 PolarHBondContact O-N 3.19Å; K127-K131 PolarHBondContact O-N 2.81Å; K127-K131 VanDerWaalsContact O-N 3.15Å |
| 128 | V | 91.5 | Very high | 87.9 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.7 | -42.4 | 179.2 | 174 | 0 | 0 | 0 | 0 | 111 | K124 V125 E126 K131 H132 L148 E151 | K124-V128 VanDerWaalsContact O-CG2 3.32Å; K124-V128 WeakPolarHBondContact O-CG2 3.31Å; K124-V128 PolarHBondContact O-N 2.74Å; V125-V128 PolarHBondContact O-N 2.87Å; V125-V128 VanDerWaalsContact O-N 3.11Å; E126-V128 VanDerWaalsContact C-N 3.32Å; E126-V128 PolarHBondContact O-N 3.16Å; V128-K131 WeakPolarHBondContact O-CB 3.48Å; V128-K131 PolarHBondContact O-N 3.36Å; V128-H132 PolarHBondContact O-CD2 2.94Å; V128-H132 PolarHBondContact O-N 3.41Å; V128-L148 HydrophobicContact CG1-CB 4.19Å; V128-L148 HydrophobicContact CG1-CD2 3.8Å; V128-E151 HydrophobicContact CG1-CB 3.88Å; V128-E151 HydrophobicContact CG2-CB 4.02Å |
| 129 | I | 89.7 | Confident | 88.3 | Confident | 13 Ų | 13 | 78.2 Ų | 78.2 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.2 | -73.8 | 176.4 | 0 | 0 | 0 | 110.4 | V125 E126 K131 H132 K133 L136 L148 Q171 V172 L175 | V125-I129 HydrophobicContact CG1-CD1 3.73Å; V125-I129 HydrophobicContact CG1-CG1 4.26Å; V125-I129 WeakPolarHBondContact O-CG1 3.5Å; V125-I129 PolarHBondContact O-N 2.83Å; E126-I129 PolarHBondContact O-N 2.8Å; I129-K131 VanDerWaalsContact C-N 3.26Å; I129-K131 PolarHBondContact O-N 2.88Å; I129-H132 CarbonylContact O-C 3.45Å; I129-H132 PolarHBondContact O-N 3.34Å; I129-K133 WeakPolarHBondContact O-CA 3.31Å; I129-K133 PolarHBondContact O-N 3.29Å; I129-L136 HydrophobicContact CB-CD1 4.47Å; I129-L136 HydrophobicContact CG1-CD1 4.45Å; I129-L136 HydrophobicContact CG2-CD1 4.03Å; I129-L148 HydrophobicContact CG1-CD1 4.22Å; I129-Q171 HydrophobicContact CD1-CB 3.36Å; I129-Q171 HydrophobicContact CD1-CG 4.42Å; I129-V172 HydrophobicContact CD1-CG2 3.96Å; I129-V172 HydrophobicContact CG1-CG2 4.49Å; I129-L175 HydrophobicContact CG2-CD2 3.75Å |
| 130 | K | 90.3 | Very high | 88.8 | Confident | 159 Ų | 159 | 77 Ų | 77 | 69% | 0.691 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.8 | -37.4 | 177.5 | -170.3 | 173.9 | -176.2 | 173.2 | 0 | 112.3 | E126 H132 K133 | E126-K130 VanDerWaalsContact O-CB 3.26Å; E126-K130 WeakPolarHBondContact O-CB 3.34Å; E126-K130 PolarHBondContact O-N 2.71Å; K130-H132 VanDerWaalsContact C-N 3.32Å; K130-H132 PolarHBondContact O-N 2.93Å; K130-K133 WeakPolarHBondContact O-CB 3.49Å |
| 131 | K | 91.7 | Very high | 88.9 | Confident | 138 Ų | 138 | 74.9 Ų | 74.9 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.4 | -33.7 | 175.4 | -179.5 | -175.7 | 169 | -164.4 | 0 | 112.8 | K127 V128 I129 E151 | K127-K131 PolarHBondContact O-N 2.81Å; K127-K131 VanDerWaalsContact O-N 3.15Å; V128-K131 WeakPolarHBondContact O-CB 3.48Å; V128-K131 PolarHBondContact O-N 3.36Å; I129-K131 VanDerWaalsContact C-N 3.26Å; I129-K131 PolarHBondContact O-N 2.88Å; K131-E151 VanDerWaalsContact NZ-CD 3.34Å; K131-E151 IonicContact NZ-OE1 3.36Å; K131-E151 PolarHBondContact NZ-OE1 2.82Å; K131-E151 IonicContact NZ-OE2 2.64Å; K131-E151 PolarHBondContact NZ-OE2 3.06Å |
| 132 | H | 91.4 | Very high | 88.8 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 13% | 0.125 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 11.1 | -178.2 | -68 | -73.3 | 0 | 0 | 0 | 113.5 | V128 I129 K130 D134 Q135 L136 F143 L148 E151 | V128-H132 PolarHBondContact O-CD2 2.94Å; V128-H132 PolarHBondContact O-N 3.41Å; I129-H132 CarbonylContact O-C 3.45Å; I129-H132 PolarHBondContact O-N 3.34Å; K130-H132 VanDerWaalsContact C-N 3.32Å; K130-H132 PolarHBondContact O-N 2.93Å; H132-D134 PolarHBondContact O-N 3.25Å; H132-Q135 PolarHBondContact O-N 2.84Å; H132-L136 HydrophobicContact CB-CD1 4.1Å; H132-L136 HydrophobicContact CB-CG 4.39Å; H132-L136 WeakPolarHBondContact O-CB 3.45Å; H132-L136 PolarHBondContact O-N 2.88Å; H132-F143 HydrophobicContact CB-CE2 4.48Å; H132-F143 HydrophobicContact CB-CZ 3.98Å; H132-F143 AromaticContact CG-CZ 3.98Å; H132-F143 AromaticContact ND1-CZ 3.99Å; H132-L148 HydrophobicContact CB-CD2 4.11Å; H132-E151 IonicContact CD2-OE1 2.72Å; H132-E151 IonicContact CE1-OE1 3.74Å; H132-E151 IonicContact NE2-OE1 3.66Å; H132-E151 PolarHBondContact NE2-OE1 2.97Å; H132-E151 IonicContact NE2-OE2 2.69Å |
| 133 | K | 89.1 | Confident | 89 | Confident | 98 Ų | 98 | 76 Ų | 76 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56 | -46.5 | -167.8 | -172.8 | 179.6 | 179.7 | 178.8 | 0 | 113.2 | I129 K130 Q135 L136 L137 L175 | I129-K133 WeakPolarHBondContact O-CA 3.31Å; I129-K133 PolarHBondContact O-N 3.29Å; K130-K133 WeakPolarHBondContact O-CB 3.49Å; K133-Q135 PolarHBondContact O-N 2.84Å; K133-L136 PolarHBondContact O-N 2.86Å; K133-L137 HydrophobicContact CG-CD1 4.07Å; K133-L137 WeakPolarHBondContact O-CG 3.37Å; K133-L137 PolarHBondContact O-N 3.22Å; K133-L175 HydrophobicContact CG-CD2 4.44Å |
| 134 | D | 89.4 | Confident | 89.1 | Confident | 138 Ų | 138 | 76.8 Ų | 76.8 | 74% | 0.738 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.4 | -39.9 | -176.9 | -60.1 | -31.4 | 0 | 0 | 0 | 111.7 | H132 L138 | H132-D134 PolarHBondContact O-N 3.25Å; D134-L138 WeakPolarHBondContact O-CB 3.28Å; D134-L138 PolarHBondContact O-N 3.08Å; D134-L138 VanDerWaalsContact O-N 3.1Å |
| 135 | Q | 88.6 | Confident | 89.1 | Confident | 112 Ų | 112 | 75.2 Ų | 75.2 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 175.5 | -69 | -175.4 | -2.5 | 0 | 0 | 111.9 | H132 K133 L138 E139 F143 | H132-Q135 PolarHBondContact O-N 2.84Å; K133-Q135 PolarHBondContact O-N 2.84Å; Q135-L138 PolarHBondContact O-N 2.82Å; Q135-E139 WeakPolarHBondContact O-CB 3.27Å; Q135-E139 PolarHBondContact O-N 2.85Å; Q135-F143 HydrophobicContact CB-CD2 4.19Å; Q135-F143 HydrophobicContact CB-CE2 3.94Å |
| 136 | L | 88.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175 | -82.8 | 165.5 | 0 | 0 | 0 | 111.8 | I129 H132 K133 L138 R140 F143 M145 L148 L175 L176 | I129-L136 HydrophobicContact CB-CD1 4.47Å; I129-L136 HydrophobicContact CG1-CD1 4.45Å; I129-L136 HydrophobicContact CG2-CD1 4.03Å; H132-L136 HydrophobicContact CB-CD1 4.1Å; H132-L136 HydrophobicContact CB-CG 4.39Å; H132-L136 WeakPolarHBondContact O-CB 3.45Å; H132-L136 PolarHBondContact O-N 2.88Å; K133-L136 PolarHBondContact O-N 2.86Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-R140 WeakPolarHBondContact O-CA 3.42Å; L136-R140 PolarHBondContact O-N 3Å; L136-F143 HydrophobicContact CD2-CB 3.93Å; L136-F143 HydrophobicContact CD2-CD1 3.46Å; L136-F143 VanDerWaalsContact CD2-CD1 3.46Å; L136-F143 HydrophobicContact CD2-CD2 4.41Å; L136-F143 HydrophobicContact CD2-CE1 4.06Å; L136-F143 HydrophobicContact CD2-CG 3.67Å; L136-F143 HydrophobicContact CG-CD1 4.15Å; L136-F143 HydrophobicContact CG-CE1 4.35Å; L136-F143 HydrophobicContact CG-CG 4.23Å; L136-M145 HydrophobicContact CD2-CE 3.89Å; L136-M145 HydrophobicContact CD2-SD 4.08Å; L136-L148 HydrophobicContact CD1-CD1 4.2Å; L136-L148 HydrophobicContact CD1-CD2 4.28Å; L136-L148 HydrophobicContact CD2-CD1 4.23Å; L136-L175 HydrophobicContact CB-CD2 4.23Å; L136-L175 HydrophobicContact CD1-CD2 4.29Å; L136-L176 WeakPolarHBondContact O-CD2 3.04Å |
| 137 | L | 88 | Confident | 88.9 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.5 | -35.5 | 177.1 | -70.7 | 171.5 | 0 | 0 | 0 | 112.1 | K133 L175 L176 | K133-L137 HydrophobicContact CG-CD1 4.07Å; K133-L137 WeakPolarHBondContact O-CG 3.37Å; K133-L137 PolarHBondContact O-N 3.22Å; L137-L175 HydrophobicContact CD2-CD1 4.14Å; L137-L175 HydrophobicContact CD2-CG 4.25Å; L137-L176 HydrophobicContact CD2-CD2 4.18Å |
| 138 | L | 87.1 | Confident | 88.9 | Confident | 148 Ų | 148 | 69.7 Ų | 69.7 | 78% | 0.775 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -74.2 | -49 | 179 | -169.4 | 104.5 | 0 | 0 | 0 | 112.8 | D134 Q135 L136 | D134-L138 WeakPolarHBondContact O-CB 3.28Å; D134-L138 PolarHBondContact O-N 3.08Å; D134-L138 VanDerWaalsContact O-N 3.1Å; Q135-L138 PolarHBondContact O-N 2.82Å; L136-L138 VanDerWaalsContact C-N 3.34Å |
| 139 | E | 87.4 | Confident | 88.7 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -89.2 | -11.7 | -176.3 | -61.3 | -157.6 | 143.4 | 0 | 0 | 113.4 | Q135 Y141 R142 F143 K187 | Q135-E139 WeakPolarHBondContact O-CB 3.27Å; Q135-E139 PolarHBondContact O-N 2.85Å; E139-Y141 PolarHBondContact O-N 3.3Å; E139-R142 WeakPolarHBondContact O-CA 3.35Å; E139-R142 VanDerWaalsContact O-CB 3.23Å; E139-R142 WeakPolarHBondContact O-CB 3.45Å; E139-R142 PolarHBondContact O-N 3.14Å; E139-F143 HydrophobicContact CB-CB 4.11Å; E139-F143 WeakPolarHBondContact OE2-CA 3.28Å; E139-K187 IonicContact OE1-NZ 2.7Å; E139-K187 PolarHBondContact OE1-NZ 3.32Å; E139-K187 IonicContact OE2-NZ 3.94Å; E139-K187 PolarHBondContact OE2-NZ 3Å |
| 140 | R | 90.3 | Very high | 88.6 | Confident | 75 Ų | 75 | 73.8 Ų | 73.8 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | 45.2 | -126.3 | -173.7 | -65.4 | -176.8 | 62.8 | 88.4 | 3.8 | 111.5 | L136 R142 F143 M145 L176 P178 D183 | L136-R140 WeakPolarHBondContact O-CA 3.42Å; L136-R140 PolarHBondContact O-N 3Å; R140-R142 PolarHBondContact O-N 3.49Å; R140-F143 WeakPolarHBondContact O-CB 3.41Å; R140-F143 PolarHBondContact O-N 3.05Å; R140-M145 WeakPolarHBondContact O-CE 3.31Å; R140-L176 HydrophobicContact CB-CD1 4.32Å; R140-L176 VanDerWaalsContact CZ-O 3.24Å; R140-L176 PolarHBondContact NH1-O 2.77Å; R140-L176 PolarHBondContact NH2-O 3.26Å; R140-P178 PolarHBondContact NH2-O 3.11Å; R140-D183 WeakPolarHBondContact CB-OD1 3.46Å; R140-D183 IonicContact NE-OD1 3.18Å; R140-D183 IonicContact NE-OD2 3.19Å; R140-D183 PolarHBondContact NE-OD2 3.37Å |
| 141 | Y | 86.7 | Confident | 88.5 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -78.7 | -0.4 | -178.7 | -71.5 | -79.4 | 0 | 0 | 0 | 114.1 | E139 F143 M145 V172 L173 L176 G177 K179 D183 | E139-Y141 PolarHBondContact O-N 3.3Å; Y141-F143 VanDerWaalsContact C-N 3.29Å; Y141-M145 HydrophobicContact CD1-CE 4.49Å; Y141-V172 HydrophobicContact CE1-CG1 4.1Å; Y141-L173 WeakPolarHBondContact OH-CD1 3.2Å; Y141-L176 HydrophobicContact CD1-CD1 4.48Å; Y141-L176 HydrophobicContact CD2-CD1 4.29Å; Y141-L176 HydrophobicContact CE2-CB 4.13Å; Y141-L176 HydrophobicContact CE2-CD1 4.34Å; Y141-L176 HydrophobicContact CG-CD1 4.4Å; Y141-G177 VanDerWaalsContact CE2-O 3.31Å; Y141-G177 WeakPolarHBondContact CE2-O 3.31Å; Y141-G177 PolarHBondContact OH-O 3.23Å; Y141-K179 HydrophobicContact CD1-CD 4.17Å; Y141-K179 HydrophobicContact CD1-CG 3.85Å; Y141-K179 HydrophobicContact CD2-CB 4.26Å; Y141-K179 HydrophobicContact CD2-CD 4.5Å; Y141-K179 HydrophobicContact CD2-CG 3.42Å; Y141-K179 VanDerWaalsContact CD2-CG 3.42Å; Y141-K179 HydrophobicContact CE1-CD 4.28Å; Y141-K179 HydrophobicContact CE1-CG 3.82Å; Y141-K179 HydrophobicContact CE2-CB 4.18Å; Y141-K179 HydrophobicContact CE2-CG 3.37Å; Y141-K179 HydrophobicContact CG-CD 4.25Å; Y141-K179 HydrophobicContact CG-CG 3.63Å; Y141-D183 HydrophobicContact CD2-CB 4.36Å |
| 142 | R | 84.9 | Confident | 88.3 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -81.9 | -10.6 | 170.9 | -54 | 176.6 | 177.5 | -178.7 | -2.5 | 112.2 | E139 R140 A182 E185 | E139-R142 WeakPolarHBondContact O-CA 3.35Å; E139-R142 VanDerWaalsContact O-CB 3.23Å; E139-R142 WeakPolarHBondContact O-CB 3.45Å; E139-R142 PolarHBondContact O-N 3.14Å; R140-R142 PolarHBondContact O-N 3.49Å; R142-A182 PolarHBondContact NE-O 3.26Å; R142-A182 PolarHBondContact NH2-O 2.85Å; R142-E185 IonicContact NH2-OE2 2.74Å; R142-E185 PolarHBondContact NH2-OE2 2.67Å |
| 143 | F | 89.4 | Confident | 88 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -63.5 | 145.8 | 173.7 | -175.4 | -93.7 | 0 | 0 | 0 | 111.4 | H132 Q135 L136 E139 R140 Y141 M145 L147 L148 | H132-F143 HydrophobicContact CB-CE2 4.48Å; H132-F143 HydrophobicContact CB-CZ 3.98Å; H132-F143 AromaticContact CG-CZ 3.98Å; H132-F143 AromaticContact ND1-CZ 3.99Å; Q135-F143 HydrophobicContact CB-CD2 4.19Å; Q135-F143 HydrophobicContact CB-CE2 3.94Å; L136-F143 HydrophobicContact CD2-CB 3.93Å; L136-F143 HydrophobicContact CD2-CD1 3.46Å; L136-F143 VanDerWaalsContact CD2-CD1 3.46Å; L136-F143 HydrophobicContact CD2-CD2 4.41Å; L136-F143 HydrophobicContact CD2-CE1 4.06Å; L136-F143 HydrophobicContact CD2-CG 3.67Å; L136-F143 HydrophobicContact CG-CD1 4.15Å; L136-F143 HydrophobicContact CG-CE1 4.35Å; L136-F143 HydrophobicContact CG-CG 4.23Å; E139-F143 HydrophobicContact CB-CB 4.11Å; E139-F143 WeakPolarHBondContact OE2-CA 3.28Å; R140-F143 WeakPolarHBondContact O-CB 3.41Å; R140-F143 PolarHBondContact O-N 3.05Å; Y141-F143 VanDerWaalsContact C-N 3.29Å; F143-M145 HydrophobicContact CB-CE 3.85Å; F143-M145 HydrophobicContact CD1-CE 4.24Å; F143-M145 HydrophobicContact CD1-SD 3.97Å; F143-M145 PolarHBondContact O-N 2.86Å; F143-L147 HydrophobicContact CE1-CB 4.5Å; F143-L147 HydrophobicContact CZ-CD1 4.24Å; F143-L148 HydrophobicContact CE1-CD1 4.34Å; F143-L148 HydrophobicContact CE1-CD2 3.87Å; F143-L148 HydrophobicContact CE1-CG 3.88Å; F143-L148 HydrophobicContact CZ-CD2 4.41Å |
| 144 | N | 88.6 | Confident | 87.7 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | trans | -76.3 | 89.6 | 177.7 | -178.5 | 8.8 | 0 | 0 | 0 | 111.1 | G146 L147 | N144-G146 PolarHBondContact O-N 3.01Å; N144-G146 WeakPolarHBondContact OD1-CA 3.15Å; N144-G146 PolarHBondContact OD1-N 3.18Å; N144-L147 HydrophobicContact CB-CD1 4.04Å; N144-L147 HydrophobicContact CB-CG 4.31Å; N144-L147 WeakPolarHBondContact O-CB 3.39Å; N144-L147 PolarHBondContact O-N 2.78Å | ||
| 145 | M | 88.4 | Confident | 87.2 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.6 | -19.3 | 176.8 | -55 | -54.8 | 162.2 | 0 | 0 | 113.4 | L136 R140 Y141 F143 L147 L148 M149 V172 | L136-M145 HydrophobicContact CD2-CE 3.89Å; L136-M145 HydrophobicContact CD2-SD 4.08Å; R140-M145 WeakPolarHBondContact O-CE 3.31Å; Y141-M145 HydrophobicContact CD1-CE 4.49Å; F143-M145 HydrophobicContact CB-CE 3.85Å; F143-M145 HydrophobicContact CD1-CE 4.24Å; F143-M145 HydrophobicContact CD1-SD 3.97Å; F143-M145 PolarHBondContact O-N 2.86Å; M145-L147 PolarHBondContact O-N 3.49Å; M145-L148 PolarHBondContact O-N 2.88Å; M145-L148 HydrophobicContact SD-CD1 3.84Å; M145-M149 PolarHBondContact O-N 3.38Å; M145-V172 HydrophobicContact CE-CG1 3.95Å; M145-V172 HydrophobicContact SD-CG1 4.16Å; M145-V172 HydrophobicContact SD-CG2 4.15Å |
| 146 | G | 85.8 | Confident | 87 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.9 | -29.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114 | N144 G150 | N144-G146 PolarHBondContact O-N 3.01Å; N144-G146 WeakPolarHBondContact OD1-CA 3.15Å; N144-G146 PolarHBondContact OD1-N 3.18Å; G146-G150 PolarHBondContact O-N 3.4Å |
| 147 | L | 89 | Confident | 86.5 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 41% | 0.414 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 174.9 | -71.1 | 166 | 0 | 0 | 0 | 111.3 | F143 N144 M145 G150 E151 | F143-L147 HydrophobicContact CE1-CB 4.5Å; F143-L147 HydrophobicContact CZ-CD1 4.24Å; N144-L147 HydrophobicContact CB-CD1 4.04Å; N144-L147 HydrophobicContact CB-CG 4.31Å; N144-L147 WeakPolarHBondContact O-CB 3.39Å; N144-L147 PolarHBondContact O-N 2.78Å; M145-L147 PolarHBondContact O-N 3.49Å; L147-G150 PolarHBondContact O-N 3.29Å; L147-E151 WeakPolarHBondContact O-CG 3.42Å; L147-E151 PolarHBondContact O-N 3.48Å |
| 148 | L | 89.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 179.1 | -53.6 | 178.6 | 0 | 0 | 0 | 110.6 | V128 I129 H132 L136 F143 M145 G150 E151 A152 V168 V172 | V128-L148 HydrophobicContact CG1-CB 4.19Å; V128-L148 HydrophobicContact CG1-CD2 3.8Å; I129-L148 HydrophobicContact CG1-CD1 4.22Å; H132-L148 HydrophobicContact CB-CD2 4.11Å; L136-L148 HydrophobicContact CD1-CD1 4.2Å; L136-L148 HydrophobicContact CD1-CD2 4.28Å; L136-L148 HydrophobicContact CD2-CD1 4.23Å; F143-L148 HydrophobicContact CE1-CD1 4.34Å; F143-L148 HydrophobicContact CE1-CD2 3.87Å; F143-L148 HydrophobicContact CE1-CG 3.88Å; F143-L148 HydrophobicContact CZ-CD2 4.41Å; M145-L148 PolarHBondContact O-N 2.88Å; M145-L148 HydrophobicContact SD-CD1 3.84Å; L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 2.85Å; L148-E151 PolarHBondContact O-N 3.19Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.25Å; L148-A152 PolarHBondContact O-N 2.91Å; L148-V168 HydrophobicContact CB-CG1 3.98Å; L148-V168 HydrophobicContact CB-CG2 4.37Å; L148-V168 HydrophobicContact CD1-CG1 3.89Å; L148-V172 HydrophobicContact CD1-CG2 3.77Å |
| 149 | M | 88.6 | Confident | 86.1 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 30% | 0.296 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 177.2 | -69 | -177.4 | -75.9 | 0 | 0 | 112.1 | M145 R153 K165 V168 | M145-M149 PolarHBondContact O-N 3.38Å; M149-R153 VanDerWaalsContact O-CB 3.24Å; M149-R153 WeakPolarHBondContact O-CB 3.48Å; M149-R153 PolarHBondContact O-N 3.34Å; M149-K165 HydrophobicContact SD-CB 3.95Å; M149-K165 HydrophobicContact SD-CD 4.32Å; M149-K165 HydrophobicContact SD-CG 3.91Å; M149-V168 HydrophobicContact CG-CB 4.48Å; M149-V168 HydrophobicContact CG-CG1 4.44Å; M149-V168 HydrophobicContact CG-CG2 4.27Å |
| 150 | G | 86.2 | Confident | 85.7 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 46% | 0.464 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | G146 L147 L148 G154 | G146-G150 PolarHBondContact O-N 3.4Å; L147-G150 PolarHBondContact O-N 3.29Å; L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 2.85Å; G150-G154 PolarHBondContact O-N 3.34Å |
| 151 | E | 88.4 | Confident | 85.3 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 177.4 | -72.7 | -167.5 | -146.4 | 0 | 0 | 112.6 | V128 K131 H132 L147 L148 G154 G155 | V128-E151 HydrophobicContact CG1-CB 3.88Å; V128-E151 HydrophobicContact CG2-CB 4.02Å; K131-E151 VanDerWaalsContact NZ-CD 3.34Å; K131-E151 IonicContact NZ-OE1 3.36Å; K131-E151 PolarHBondContact NZ-OE1 2.82Å; K131-E151 IonicContact NZ-OE2 2.64Å; K131-E151 PolarHBondContact NZ-OE2 3.06Å; H132-E151 IonicContact CD2-OE1 2.72Å; H132-E151 IonicContact CE1-OE1 3.74Å; H132-E151 IonicContact NE2-OE1 3.66Å; H132-E151 PolarHBondContact NE2-OE1 2.97Å; H132-E151 IonicContact NE2-OE2 2.69Å; L147-E151 WeakPolarHBondContact O-CG 3.42Å; L147-E151 PolarHBondContact O-N 3.48Å; L148-E151 PolarHBondContact O-N 3.19Å; E151-G154 PolarHBondContact O-N 3.1Å; E151-G155 PolarHBondContact O-N 3.28Å |
| 152 | A | 87.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | V125 L148 G154 G155 L156 I164 | V125-A152 HydrophobicContact CG2-CB 4.2Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.25Å; L148-A152 PolarHBondContact O-N 2.91Å; A152-G154 VanDerWaalsContact C-N 3.32Å; A152-G154 PolarHBondContact O-N 2.88Å; A152-G155 PolarHBondContact O-N 3.15Å; A152-G155 VanDerWaalsContact O-N 3.11Å; A152-L156 PolarHBondContact O-N 2.83Å; A152-I164 HydrophobicContact CB-CG2 3.7Å |
| 153 | R | 84.9 | Confident | 84.9 | Confident | 145 Ų | 145 | 56.5 Ų | 56.5 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 175.8 | -173.5 | -179.7 | -74.3 | -175.8 | -2.9 | 112.4 | M149 G155 L156 M157 I164 | M149-R153 VanDerWaalsContact O-CB 3.24Å; M149-R153 WeakPolarHBondContact O-CB 3.48Å; M149-R153 PolarHBondContact O-N 3.34Å; R153-G155 PolarHBondContact O-N 3.4Å; R153-L156 CarbonylContact O-C 3.46Å; R153-L156 VanDerWaalsContact O-C 3.27Å; R153-L156 PolarHBondContact O-N 3.15Å; R153-M157 PolarHBondContact O-N 3.38Å; R153-I164 HydrophobicContact CB-CD1 4.3Å |
| 154 | G | 83 | Confident | 84.8 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.2 | -28.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G150 E151 A152 | G150-G154 PolarHBondContact O-N 3.34Å; E151-G154 PolarHBondContact O-N 3.1Å; A152-G154 VanDerWaalsContact C-N 3.32Å; A152-G154 PolarHBondContact O-N 2.88Å |
| 155 | G | 79.2 | Confident | 84.7 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -95 | -18.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E151 A152 R153 | E151-G155 PolarHBondContact O-N 3.28Å; A152-G155 PolarHBondContact O-N 3.15Å; A152-G155 VanDerWaalsContact O-N 3.11Å; R153-G155 PolarHBondContact O-N 3.4Å |
| 156 | L | 84.5 | Confident | 84.6 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | trans | -127 | 73.8 | 177.1 | -65 | 173.5 | 0 | 0 | 0 | 108.9 | I116 Q120 I121 K124 A152 R153 W158 A159 | I116-L156 HydrophobicContact CD1-CD2 4.34Å; I116-L156 HydrophobicContact CG2-CD1 4.45Å; I116-L156 HydrophobicContact CG2-CD2 4.32Å; Q120-L156 HydrophobicContact CB-CD2 4.5Å; I121-L156 HydrophobicContact CB-CD1 4.29Å; I121-L156 HydrophobicContact CG1-CD1 3.96Å; K124-L156 HydrophobicContact CB-CD1 3.64Å; K124-L156 HydrophobicContact CB-CG 4.14Å; K124-L156 HydrophobicContact CG-CD1 3.96Å; K124-L156 HydrophobicContact CG-CG 4.04Å; A152-L156 PolarHBondContact O-N 2.83Å; R153-L156 CarbonylContact O-C 3.46Å; R153-L156 VanDerWaalsContact O-C 3.27Å; R153-L156 PolarHBondContact O-N 3.15Å; L156-W158 VanDerWaalsContact C-N 3.3Å; L156-W158 PolarHBondContact O-N 3.15Å; L156-A159 HydrophobicContact CB-CB 3.78Å; L156-A159 WeakPolarHBondContact O-CB 3.42Å; L156-A159 PolarHBondContact O-N 3.35Å | ||
| 157 | M | 79.4 | Confident | 84.7 | Confident | 116 Ų | 116 | 59.8 Ų | 59.8 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -48.5 | -172.7 | -172.8 | -176.3 | -65.5 | 0 | 0 | 111.5 | L84 R153 A159 | L84-M157 HydrophobicContact CD2-CG 4.26Å; L84-M157 WeakPolarHBondContact CD2-O 3.36Å; R153-M157 PolarHBondContact O-N 3.38Å; M157-A159 PolarHBondContact O-N 2.68Å |
| 158 | W | 83.2 | Confident | 84.7 | Confident | 42 Ų | 42 | 56 Ų | 56 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4.8 | -174 | -50.5 | 112.8 | 0 | 0 | 0 | 115.5 | L84 Q85 A88 L109 V114 I116 L156 | L84-W158 HydrophobicContact CD2-CE3 3.86Å; L84-W158 HydrophobicContact CD2-CZ3 4.21Å; L84-W158 HydrophobicContact CG-CE3 4.13Å; L84-W158 HydrophobicContact CG-CZ3 4.07Å; Q85-W158 HydrophobicContact CB-CZ3 4.49Å; Q85-W158 HydrophobicContact CG-CE3 3.74Å; Q85-W158 HydrophobicContact CG-CZ3 4.09Å; A88-W158 HydrophobicContact CB-CH2 3.55Å; A88-W158 HydrophobicContact CB-CZ3 3.86Å; L109-W158 WeakPolarHBondContact O-CH2 3.26Å; L109-W158 VanDerWaalsContact O-CZ2 3.31Å; L109-W158 WeakPolarHBondContact O-CZ2 3.18Å; V114-W158 HydrophobicContact CG1-CB 4.49Å; V114-W158 HydrophobicContact CG1-CG 4.46Å; I116-W158 HydrophobicContact CG1-CB 4.34Å; L156-W158 VanDerWaalsContact C-N 3.3Å; L156-W158 PolarHBondContact O-N 3.15Å |
| 159 | A | 81.6 | Confident | 84.6 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -74.1 | 146 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I116 I121 L156 M157 G161 I164 | I116-A159 HydrophobicContact CB-CB 4.4Å; I116-A159 HydrophobicContact CG1-CB 4.35Å; I116-A159 HydrophobicContact CG2-CB 4.04Å; I121-A159 HydrophobicContact CD1-CB 4.27Å; I121-A159 HydrophobicContact CG1-CB 4.37Å; L156-A159 HydrophobicContact CB-CB 3.78Å; L156-A159 WeakPolarHBondContact O-CB 3.42Å; L156-A159 PolarHBondContact O-N 3.35Å; M157-A159 PolarHBondContact O-N 2.68Å; A159-G161 PolarHBondContact O-N 3.44Å; A159-I164 HydrophobicContact CB-CD1 3.58Å; A159-I164 HydrophobicContact CB-CG1 3.98Å |
| 160 | D | 80.4 | Confident | 84.4 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 43% | 0.428 | 32% | 0.322 | S | S | . | . | trans | -62.8 | 122.8 | 171.9 | -179.6 | 1.4 | 0 | 0 | 0 | 110.1 | K162 M163 I164 | D160-K162 PolarHBondContact O-N 2.81Å; D160-K162 WeakPolarHBondContact OD1-CB 3.4Å; D160-K162 PolarHBondContact OD1-N 3.11Å; D160-M163 HydrophobicContact CB-CB 4.16Å; D160-M163 HydrophobicContact CB-CE 3.59Å; D160-M163 HydrophobicContact CB-CG 3.89Å; D160-M163 HydrophobicContact CB-SD 4.47Å; D160-M163 PolarHBondContact O-N 2.76Å; D160-M163 VanDerWaalsContact O-N 3.11Å; D160-I164 PolarHBondContact O-N 3.05Å | ||
| 161 | G | 81.1 | Confident | 84.4 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A159 K165 | A159-G161 PolarHBondContact O-N 3.44Å; G161-K165 WeakPolarHBondContact O-CB 3.47Å; G161-K165 PolarHBondContact O-N 3.22Å |
| 162 | K | 82.4 | Confident | 84.5 | Confident | 142 Ų | 142 | 55 Ų | 55 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.4 | -42.2 | 175.1 | -170.4 | -179 | 179.1 | -174.9 | 0 | 111.1 | D160 K165 N166 | D160-K162 PolarHBondContact O-N 2.81Å; D160-K162 WeakPolarHBondContact OD1-CB 3.4Å; D160-K162 PolarHBondContact OD1-N 3.11Å; K162-K165 PolarHBondContact O-N 2.85Å; K162-N166 PolarHBondContact O-N 3.18Å; K162-N166 PolarHBondContact O-OD1 2.9Å |
| 163 | M | 81.3 | Confident | 84.4 | Confident | 78 Ų | 78 | 56 Ų | 56 | 38% | 0.384 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 175.7 | -66.3 | -162.9 | -65 | 0 | 0 | 111.5 | I121 D160 K165 N166 E167 | I121-M163 HydrophobicContact CD1-CB 3.86Å; I121-M163 HydrophobicContact CD1-CE 3.87Å; I121-M163 HydrophobicContact CD1-SD 4.47Å; D160-M163 HydrophobicContact CB-CB 4.16Å; D160-M163 HydrophobicContact CB-CE 3.59Å; D160-M163 HydrophobicContact CB-CG 3.89Å; D160-M163 HydrophobicContact CB-SD 4.47Å; D160-M163 PolarHBondContact O-N 2.76Å; D160-M163 VanDerWaalsContact O-N 3.11Å; M163-K165 VanDerWaalsContact C-N 3.3Å; M163-K165 PolarHBondContact O-N 3.23Å; M163-N166 PolarHBondContact O-N 3.14Å; M163-E167 WeakPolarHBondContact O-CB 3.29Å; M163-E167 PolarHBondContact O-N 3.38Å |
| 164 | I | 86.2 | Confident | 84.3 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 175.1 | -66.1 | 164.4 | 0 | 0 | 0 | 111 | I121 A152 R153 A159 D160 E167 V168 | I121-I164 HydrophobicContact CG2-CG1 4.06Å; A152-I164 HydrophobicContact CB-CG2 3.7Å; R153-I164 HydrophobicContact CB-CD1 4.3Å; A159-I164 HydrophobicContact CB-CD1 3.58Å; A159-I164 HydrophobicContact CB-CG1 3.98Å; D160-I164 PolarHBondContact O-N 3.05Å; I164-E167 PolarHBondContact O-N 2.82Å; I164-V168 HydrophobicContact CG2-CG2 4.29Å; I164-V168 WeakPolarHBondContact O-CB 3.37Å; I164-V168 VanDerWaalsContact O-CG2 3.25Å; I164-V168 WeakPolarHBondContact O-CG2 3.4Å; I164-V168 PolarHBondContact O-N 3.13Å |
| 165 | K | 88.3 | Confident | 84.6 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 179.1 | 175.3 | 175.6 | 176 | 175.6 | 0 | 111.5 | M149 G161 K162 M163 E167 V168 D169 | M149-K165 HydrophobicContact SD-CB 3.95Å; M149-K165 HydrophobicContact SD-CD 4.32Å; M149-K165 HydrophobicContact SD-CG 3.91Å; G161-K165 WeakPolarHBondContact O-CB 3.47Å; G161-K165 PolarHBondContact O-N 3.22Å; K162-K165 PolarHBondContact O-N 2.85Å; M163-K165 VanDerWaalsContact C-N 3.3Å; M163-K165 PolarHBondContact O-N 3.23Å; K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 PolarHBondContact O-N 3.21Å; K165-V168 PolarHBondContact O-N 3.35Å; K165-D169 WeakPolarHBondContact CE-OD2 2.95Å; K165-D169 WeakPolarHBondContact CG-OD2 3.34Å; K165-D169 WeakPolarHBondContact O-CB 3.5Å; K165-D169 VanDerWaalsContact O-CG 3.3Å; K165-D169 PolarHBondContact O-N 3.42Å |
| 166 | N | 84.9 | Confident | 85 | Confident | 88 Ų | 88 | 49.5 Ų | 49.5 | 47% | 0.471 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.4 | -42.5 | -179.7 | -69.5 | -8.9 | 0 | 0 | 0 | 111.2 | K162 M163 D169 M170 | K162-N166 PolarHBondContact O-N 3.18Å; K162-N166 PolarHBondContact O-OD1 2.9Å; M163-N166 PolarHBondContact O-N 3.14Å; N166-D169 PolarHBondContact O-N 3.47Å; N166-M170 WeakPolarHBondContact O-CB 3.18Å; N166-M170 PolarHBondContact O-N 2.78Å |
| 167 | E | 88.6 | Confident | 84.8 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 24% | 0.238 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 178.5 | -172.3 | 55.9 | -148.3 | 0 | 0 | 112.2 | I121 V125 M163 I164 K165 M170 Q171 | I121-E167 HydrophobicContact CG2-CB 3.98Å; I121-E167 HydrophobicContact CG2-CG 4.1Å; V125-E167 HydrophobicContact CB-CG 4.05Å; V125-E167 HydrophobicContact CG1-CG 4.23Å; V125-E167 HydrophobicContact CG2-CB 4.29Å; V125-E167 HydrophobicContact CG2-CG 3.99Å; M163-E167 WeakPolarHBondContact O-CB 3.29Å; M163-E167 PolarHBondContact O-N 3.38Å; I164-E167 PolarHBondContact O-N 2.82Å; K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 PolarHBondContact O-N 3.21Å; E167-M170 PolarHBondContact O-N 3.01Å; E167-Q171 PolarHBondContact O-N 3.33Å; E167-Q171 WeakPolarHBondContact OE1-CG 3.3Å; E167-Q171 PolarHBondContact OE1-NE2 2.91Å |
| 168 | V | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -49.5 | 173.2 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | V125 L148 M149 I164 K165 M170 V172 | V125-V168 HydrophobicContact CB-CG2 4.46Å; V125-V168 HydrophobicContact CG1-CB 4.38Å; V125-V168 HydrophobicContact CG1-CG2 3.73Å; V125-V168 HydrophobicContact CG2-CG2 3.82Å; L148-V168 HydrophobicContact CB-CG1 3.98Å; L148-V168 HydrophobicContact CB-CG2 4.37Å; L148-V168 HydrophobicContact CD1-CG1 3.89Å; M149-V168 HydrophobicContact CG-CB 4.48Å; M149-V168 HydrophobicContact CG-CG1 4.44Å; M149-V168 HydrophobicContact CG-CG2 4.27Å; I164-V168 HydrophobicContact CG2-CG2 4.29Å; I164-V168 WeakPolarHBondContact O-CB 3.37Å; I164-V168 VanDerWaalsContact O-CG2 3.25Å; I164-V168 WeakPolarHBondContact O-CG2 3.4Å; I164-V168 PolarHBondContact O-N 3.13Å; K165-V168 PolarHBondContact O-N 3.35Å; V168-M170 PolarHBondContact O-N 2.95Å; V168-V172 HydrophobicContact CG1-CG2 4.18Å; V168-V172 WeakPolarHBondContact O-CB 3.39Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 3.21Å |
| 169 | D | 86.9 | Confident | 84.9 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -38.5 | -179.9 | -74.1 | -24.1 | 0 | 0 | 0 | 110.6 | K165 N166 L173 | K165-D169 WeakPolarHBondContact CE-OD2 2.95Å; K165-D169 WeakPolarHBondContact CG-OD2 3.34Å; K165-D169 WeakPolarHBondContact O-CB 3.5Å; K165-D169 VanDerWaalsContact O-CG 3.3Å; K165-D169 PolarHBondContact O-N 3.42Å; N166-D169 PolarHBondContact O-N 3.47Å; D169-L173 VanDerWaalsContact O-CB 3.3Å; D169-L173 WeakPolarHBondContact O-CB 3.37Å; D169-L173 PolarHBondContact O-N 2.96Å |
| 170 | M | 83.7 | Confident | 84.9 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 20% | 0.197 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.3 | -53.1 | 179.3 | -165.3 | 60.4 | 63.6 | 0 | 0 | 113 | N166 E167 V168 V172 L173 H174 Q259 | N166-M170 WeakPolarHBondContact O-CB 3.18Å; N166-M170 PolarHBondContact O-N 2.78Å; E167-M170 PolarHBondContact O-N 3.01Å; V168-M170 PolarHBondContact O-N 2.95Å; M170-V172 VanDerWaalsContact C-N 3.29Å; M170-V172 PolarHBondContact O-N 3.21Å; M170-L173 WeakPolarHBondContact O-CA 3.43Å; M170-L173 WeakPolarHBondContact O-CB 3.33Å; M170-L173 PolarHBondContact O-N 3.32Å; M170-L173 VanDerWaalsContact O-N 3.09Å; M170-L173 HydrophobicContact SD-CD2 4.48Å; M170-H174 PolarHBondContact O-N 3.27Å; M170-Q259 HydrophobicContact CE-CB 4.06Å; M170-Q259 HydrophobicContact CE-CG 4.43Å; M170-Q259 HydrophobicContact SD-CB 4.09Å; M170-Q259 HydrophobicContact SD-CG 4.34Å |
| 171 | Q | 87.3 | Confident | 84.5 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 179.7 | -69.5 | -168.5 | 23.8 | 0 | 0 | 112.3 | E122 V125 I129 E167 H174 L175 | E122-Q171 PolarHBondContact O-NE2 3.21Å; E122-Q171 VanDerWaalsContact O-NE2 3.14Å; V125-Q171 HydrophobicContact CG1-CB 4.4Å; V125-Q171 HydrophobicContact CG1-CG 4.34Å; I129-Q171 HydrophobicContact CD1-CB 3.36Å; I129-Q171 HydrophobicContact CD1-CG 4.42Å; E167-Q171 PolarHBondContact O-N 3.33Å; E167-Q171 WeakPolarHBondContact OE1-CG 3.3Å; E167-Q171 PolarHBondContact OE1-NE2 2.91Å; Q171-H174 PolarHBondContact O-N 2.93Å; Q171-L175 WeakPolarHBondContact O-CB 3.49Å; Q171-L175 PolarHBondContact O-N 3.23Å |
| 172 | V | 89.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 172.6 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | I129 Y141 M145 L148 V168 M170 H174 L175 L176 | I129-V172 HydrophobicContact CD1-CG2 3.96Å; I129-V172 HydrophobicContact CG1-CG2 4.49Å; Y141-V172 HydrophobicContact CE1-CG1 4.1Å; M145-V172 HydrophobicContact CE-CG1 3.95Å; M145-V172 HydrophobicContact SD-CG1 4.16Å; M145-V172 HydrophobicContact SD-CG2 4.15Å; L148-V172 HydrophobicContact CD1-CG2 3.77Å; V168-V172 HydrophobicContact CG1-CG2 4.18Å; V168-V172 WeakPolarHBondContact O-CB 3.39Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 3.21Å; M170-V172 VanDerWaalsContact C-N 3.29Å; M170-V172 PolarHBondContact O-N 3.21Å; V172-H174 VanDerWaalsContact C-N 3.35Å; V172-L175 PolarHBondContact O-N 3.43Å; V172-L176 HydrophobicContact CG1-CD1 3.62Å; V172-L176 HydrophobicContact CG1-CG 4.12Å; V172-L176 WeakPolarHBondContact O-CB 3.11Å; V172-L176 WeakPolarHBondContact O-CG 3.48Å; V172-L176 PolarHBondContact O-N 3.19Å |
| 173 | L | 87.1 | Confident | 83.8 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 173.4 | 178.2 | 65.1 | 0 | 0 | 0 | 111.4 | Y141 D169 M170 L175 G177 | Y141-L173 WeakPolarHBondContact OH-CD1 3.2Å; D169-L173 VanDerWaalsContact O-CB 3.3Å; D169-L173 WeakPolarHBondContact O-CB 3.37Å; D169-L173 PolarHBondContact O-N 2.96Å; M170-L173 WeakPolarHBondContact O-CA 3.43Å; M170-L173 WeakPolarHBondContact O-CB 3.33Å; M170-L173 PolarHBondContact O-N 3.32Å; M170-L173 VanDerWaalsContact O-N 3.09Å; M170-L173 HydrophobicContact SD-CD2 4.48Å; L173-L175 PolarHBondContact O-N 3.41Å; L173-G177 VanDerWaalsContact O-CA 3.26Å; L173-G177 WeakPolarHBondContact O-CA 3.36Å; L173-G177 PolarHBondContact O-N 3.43Å |
| 174 | H | 83 | Confident | 83.2 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.1 | -65.6 | 168.9 | 0 | 0 | 0 | 112.4 | M170 Q171 V172 Q259 Y326 | M170-H174 PolarHBondContact O-N 3.27Å; Q171-H174 PolarHBondContact O-N 2.93Å; V172-H174 VanDerWaalsContact C-N 3.35Å; H174-Q259 PolarHBondContact CE1-OE1 2.94Å; H174-Q259 PolarHBondContact NE2-OE1 3.21Å; H174-Y326 AromaticContact CE1-CE2 3.75Å; H174-Y326 AromaticContact ND1-CE2 3.47Å; H174-Y326 WeakPolarHBondContact ND1-CE2 3.49Å |
| 175 | L | 87.8 | Confident | 82.2 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.8 | -43.2 | -179.4 | 179.2 | 64.1 | 0 | 0 | 0 | 113.1 | I129 K133 L136 L137 Q171 V172 L173 | I129-L175 HydrophobicContact CG2-CD2 3.75Å; K133-L175 HydrophobicContact CG-CD2 4.44Å; L136-L175 HydrophobicContact CB-CD2 4.23Å; L136-L175 HydrophobicContact CD1-CD2 4.29Å; L137-L175 HydrophobicContact CD2-CD1 4.14Å; L137-L175 HydrophobicContact CD2-CG 4.25Å; Q171-L175 WeakPolarHBondContact O-CB 3.49Å; Q171-L175 PolarHBondContact O-N 3.23Å; V172-L175 PolarHBondContact O-N 3.43Å; L173-L175 PolarHBondContact O-N 3.41Å |
| 176 | L | 87.6 | Confident | 80.5 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -96.1 | -21.9 | -171.3 | -59 | -175.8 | 0 | 0 | 0 | 113.3 | L136 L137 R140 Y141 V172 | L136-L176 WeakPolarHBondContact O-CD2 3.04Å; L137-L176 HydrophobicContact CD2-CD2 4.18Å; R140-L176 HydrophobicContact CB-CD1 4.32Å; R140-L176 VanDerWaalsContact CZ-O 3.24Å; R140-L176 PolarHBondContact NH1-O 2.77Å; R140-L176 PolarHBondContact NH2-O 3.26Å; Y141-L176 HydrophobicContact CD1-CD1 4.48Å; Y141-L176 HydrophobicContact CD2-CD1 4.29Å; Y141-L176 HydrophobicContact CE2-CB 4.13Å; Y141-L176 HydrophobicContact CE2-CD1 4.34Å; Y141-L176 HydrophobicContact CG-CD1 4.4Å; V172-L176 HydrophobicContact CG1-CD1 3.62Å; V172-L176 HydrophobicContact CG1-CG 4.12Å; V172-L176 WeakPolarHBondContact O-CB 3.11Å; V172-L176 WeakPolarHBondContact O-CG 3.48Å; V172-L176 PolarHBondContact O-N 3.19Å |
| 177 | G | 81 | Confident | 78.9 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | trans | 71.1 | -173.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y141 L173 | Y141-G177 VanDerWaalsContact CE2-O 3.31Å; Y141-G177 WeakPolarHBondContact CE2-O 3.31Å; Y141-G177 PolarHBondContact OH-O 3.23Å; L173-G177 VanDerWaalsContact O-CA 3.26Å; L173-G177 WeakPolarHBondContact O-CA 3.36Å; L173-G177 PolarHBondContact O-N 3.43Å | ||
| 178 | P | 81.2 | Confident | 76.5 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 29% | 0.292 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -60.8 | 155.8 | -173.7 | 24.4 | -34.1 | 0 | 0 | 0 | 113.5 | R140 T180 F255 | R140-P178 PolarHBondContact NH2-O 3.11Å; P178-T180 PolarHBondContact O-N 3.4Å; P178-F255 HydrophobicContact CG-CD2 4.1Å |
| 179 | K | 84.6 | Confident | 74 | Confident | 138 Ų | 138 | 81.4 Ų | 81.4 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 129.5 | 173.9 | -75.3 | 177.6 | -179.8 | 175.1 | 0 | 110.4 | Y141 | Y141-K179 HydrophobicContact CD1-CD 4.17Å; Y141-K179 HydrophobicContact CD1-CG 3.85Å; Y141-K179 HydrophobicContact CD2-CB 4.26Å; Y141-K179 HydrophobicContact CD2-CD 4.5Å; Y141-K179 HydrophobicContact CD2-CG 3.42Å; Y141-K179 VanDerWaalsContact CD2-CG 3.42Å; Y141-K179 HydrophobicContact CE1-CD 4.28Å; Y141-K179 HydrophobicContact CE1-CG 3.82Å; Y141-K179 HydrophobicContact CE2-CB 4.18Å; Y141-K179 HydrophobicContact CE2-CG 3.37Å; Y141-K179 HydrophobicContact CG-CD 4.25Å; Y141-K179 HydrophobicContact CG-CG 3.63Å |
| 180 | T | 80.7 | Confident | 71.5 | Confident | 61 Ų | 61 | 82.5 Ų | 82.5 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -100 | 166.4 | 177.1 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | P178 A182 D183 | P178-T180 PolarHBondContact O-N 3.4Å; T180-A182 VanDerWaalsContact C-N 3.25Å; T180-A182 PolarHBondContact O-N 2.86Å; T180-D183 PolarHBondContact N-OD2 3.27Å; T180-D183 VanDerWaalsContact O-CB 3.29Å; T180-D183 WeakPolarHBondContact O-CB 3.43Å; T180-D183 PolarHBondContact O-N 3.18Å; T180-D183 PolarHBondContact OG1-OD2 2.84Å |
| 181 | E | 71.6 | Confident | 68.9 | Low | 173 Ų | 173 | 89.7 Ų | 89.7 | 81% | 0.808 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.7 | -34.6 | 176 | -67.6 | -172 | 159.9 | 0 | 0 | 112.7 | D183 L184 | E181-D183 PolarHBondContact O-N 3.45Å; E181-L184 WeakPolarHBondContact O-CB 3.4Å; E181-L184 PolarHBondContact O-N 3.05Å |
| 182 | A | 72.3 | Confident | 66.2 | Low | 54 Ų | 54 | 97.1 Ų | 97.1 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -30.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R142 T180 L184 E185 | R142-A182 PolarHBondContact NE-O 3.26Å; R142-A182 PolarHBondContact NH2-O 2.85Å; T180-A182 VanDerWaalsContact C-N 3.25Å; T180-A182 PolarHBondContact O-N 2.86Å; A182-L184 PolarHBondContact O-N 3.36Å; A182-E185 PolarHBondContact O-N 3.2Å |
| 183 | D | 77.2 | Confident | 63.3 | Low | 20 Ų | 20 | 101.9 Ų | 101.9 | 11% | 0.107 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -69.5 | -21.5 | 176 | -66.3 | -56.7 | 0 | 0 | 0 | 112.7 | R140 Y141 T180 E181 | R140-D183 WeakPolarHBondContact CB-OD1 3.46Å; R140-D183 IonicContact NE-OD1 3.18Å; R140-D183 IonicContact NE-OD2 3.19Å; R140-D183 PolarHBondContact NE-OD2 3.37Å; Y141-D183 HydrophobicContact CD2-CB 4.36Å; T180-D183 PolarHBondContact N-OD2 3.27Å; T180-D183 VanDerWaalsContact O-CB 3.29Å; T180-D183 WeakPolarHBondContact O-CB 3.43Å; T180-D183 PolarHBondContact O-N 3.18Å; T180-D183 PolarHBondContact OG1-OD2 2.84Å; E181-D183 PolarHBondContact O-N 3.45Å |
| 184 | L | 69.5 | Low | 60.4 | Low | 129 Ų | 129 | 110.2 Ų | 110.2 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -87.7 | -13.1 | -178 | -60.6 | 173.8 | 0 | 0 | 0 | 113.4 | E181 A182 K186 | E181-L184 WeakPolarHBondContact O-CB 3.4Å; E181-L184 PolarHBondContact O-N 3.05Å; A182-L184 PolarHBondContact O-N 3.36Å; L184-K186 PolarHBondContact O-N 2.92Å |
| 185 | E | 65.2 | Low | 57.8 | Low | 129 Ų | 129 | 111.9 Ų | 111.9 | 60% | 0.603 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -65.5 | 119.9 | 172.9 | -68.1 | -177.9 | 160.2 | 0 | 0 | 110.4 | R142 A182 K187 | R142-E185 IonicContact NH2-OE2 2.74Å; R142-E185 PolarHBondContact NH2-OE2 2.67Å; A182-E185 PolarHBondContact O-N 3.2Å; E185-K187 PolarHBondContact O-N 3.19Å |
| 186 | K | 51.7 | Low | 55.3 | Low | 199 Ų | 199 | 115.5 Ų | 115.5 | 87% | 0.865 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.8 | -178.1 | -72.2 | 175.1 | -179.9 | 167.9 | 0 | 110.3 | L184 T188 | L184-K186 PolarHBondContact O-N 2.92Å; K186-T188 PolarHBondContact O-N 3.34Å |
| 187 | K | 52.1 | Low | 52.8 | Low | 114 Ų | 114 | 123.2 Ų | 123.2 | 50% | 0.496 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -47.9 | 129.9 | 155.4 | -102.9 | 178.8 | 177.4 | 169.4 | 0 | 107.8 | E139 E185 K189 | E139-K187 IonicContact OE1-NZ 2.7Å; E139-K187 PolarHBondContact OE1-NZ 3.32Å; E139-K187 IonicContact OE2-NZ 3.94Å; E139-K187 PolarHBondContact OE2-NZ 3Å; E185-K187 PolarHBondContact O-N 3.19Å; K187-K189 PolarHBondContact O-N 2.99Å |
| 188 | T | 36.6 | Very low | 50.1 | Low | 152 Ų | 152 | 125.7 Ų | 125.7 | 93% | 0.933 | 69% | 0.689 | S | S | * | * | trans | -55.5 | 109 | 173.6 | 1.1 | 0 | 0 | 0 | 0 | 108.7 | K186 | K186-T188 PolarHBondContact O-N 3.34Š| ||
| 189 | K | 37.1 | Very low | 47.4 | Very low | 194 Ų | 194 | 130.5 Ų | 130.5 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 133.3 | -174.3 | -83.5 | -173.6 | 177.1 | -177.5 | 0 | 112 | K187 | K187-K189 PolarHBondContact O-N 2.99Š|
| 190 | A | 34.9 | Very low | 44.8 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 191 | Q | 29.8 | Very low | 42.1 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 158 | -174.5 | -65.4 | 172.3 | 1.4 | 0 | 0 | 113.3 | ||
| 192 | K | 30.3 | Very low | 39.9 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | cis | -176.6 | 147.3 | -23.9 | -162.5 | -172.9 | -158.8 | 179.6 | 0 | 106.6 | ||||
| 193 | A | 27.3 | Very low | 37.5 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -164.6 | 136.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 194 | K | 27.5 | Very low | 35 | Very low | 194 Ų | 194 | 150.6 Ų | 150.6 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -102.5 | 167.4 | 176.4 | -77.5 | -177.8 | 164.1 | -172.7 | 0 | 109.2 | ||||
| 195 | A | 28.7 | Very low | 32.8 | Very low | 90 Ų | 90 | 151.8 Ų | 151.8 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | cis | -165.1 | -163.5 | 25.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 196 | P | 35 | Very low | 30.9 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | cis | -130.6 | -179.9 | -19.1 | 33.2 | -11 | 0 | 0 | 0 | 115 | ||||
| 197 | D | 33.9 | Very low | 29.6 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -76.2 | 158.5 | -177.8 | -77.5 | -51.2 | 0 | 0 | 0 | 116.3 | ||||
| 198 | G | 24.9 | Very low | 28.6 | Very low | 71 Ų | 71 | 151.5 Ų | 151.5 | 73% | 0.732 | 84% | 0.844 | S | S | * | * | trans | -168.9 | 99.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 199 | V | 23.8 | Very low | 27.9 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | trans | 33.3 | 132.8 | 142.8 | -166.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 200 | K | 31.4 | Very low | 27.2 | Very low | 199 Ų | 199 | 152 Ų | 152 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | trans | -77.3 | 141.6 | 168 | -73.6 | 177.5 | 171.4 | -177.9 | 0 | 112.3 | ||||
| 201 | E | 23.3 | Very low | 27 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -134.9 | 131.9 | 155.6 | -91.2 | -176.4 | 167 | 0 | 0 | 110.5 | ||||
| 202 | E | 25.3 | Very low | 26.9 | Very low | 194 Ų | 194 | 154 Ų | 154 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | trans | -81.6 | 142 | 166.7 | -75.6 | 178.5 | 145.5 | 0 | 0 | 109.8 | ||||
| 203 | L | 22.1 | Very low | 27.3 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | trans | -121.2 | 109.8 | 169.8 | -83.4 | 160.4 | 0 | 0 | 0 | 109.7 | ||||
| 204 | T | 24.5 | Very low | 28.6 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | -72.7 | 132.1 | 158.9 | 42 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 205 | I | 23.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 80% | 0.795 | 80% | 0.803 | S | S | * | * | trans | -122.8 | 107.6 | 167.4 | -60 | 178.1 | 0 | 0 | 0 | 107.6 | ||||
| 206 | N | 26.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -93 | 137.2 | 157.5 | -83.2 | -12.9 | 0 | 0 | 0 | 107.7 | ||||
| 207 | G | 24 | Very low | 33.8 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 179 | 98.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 208 | E | 30.6 | Very low | 35.5 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | trans | -59 | 139.5 | 172.7 | -64.1 | 173.7 | 144.2 | 0 | 0 | 112 | ||||
| 209 | L | 22.6 | Very low | 37.5 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -143.8 | 139 | 162.2 | -93.3 | 168.3 | 0 | 0 | 0 | 112.1 | ||||
| 210 | K | 22.4 | Very low | 39.7 | Very low | 204 Ų | 204 | 125.3 Ų | 125.3 | 89% | 0.887 | 66% | 0.656 | S | S | * | * | trans | -54 | 151.7 | -175.8 | -77.3 | 170.8 | 170.6 | 175.3 | 0 | 113.8 | ||||
| 211 | I | 29.4 | Very low | 41.4 | Very low | 153 Ų | 153 | 122.4 Ų | 122.4 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | trans | -86.8 | 111.5 | -169 | -59.8 | 166.2 | 0 | 0 | 0 | 110.2 | ||||
| 212 | E | 29.2 | Very low | 42.8 | Very low | 181 Ų | 181 | 114.4 Ų | 114.4 | 85% | 0.846 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -134.2 | 142.3 | 147.2 | -78.3 | -174.8 | 161.5 | 0 | 0 | 106.7 | R214 | E212-R214 PolarHBondContact O-N 3.3Š|
| 213 | G | 38.6 | Very low | 44 | Very low | 84 Ų | 84 | 111.7 Ų | 111.7 | 87% | 0.866 | 60% | 0.603 | S | S | * | * | trans | -38 | 115.2 | -156.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 214 | R | 53.6 | Low | 45.7 | Very low | 130 Ų | 130 | 106.5 Ų | 106.5 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | trans | -74.6 | 147.7 | -178.7 | -70.9 | -175.6 | -177.8 | 177.1 | 2.1 | 111.1 | E212 D218 E219 | E212-R214 PolarHBondContact O-N 3.3Å; R214-D218 HydrophobicContact CB-CB 4.21Å; R214-E219 HydrophobicContact CB-CG 4.06Å | ||
| 215 | S | 65.8 | Low | 47.7 | Very low | 66 Ų | 66 | 101.8 Ų | 101.8 | 46% | 0.462 | 55% | 0.552 | S | S | . | * | trans | -62.8 | 148.8 | 168.8 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | M217 D218 E219 | S215-M217 PolarHBondContact O-N 3.48Å; S215-M217 VanDerWaalsContact O-N 3.1Å; S215-D218 WeakPolarHBondContact O-CA 3.38Å; S215-D218 WeakPolarHBondContact O-CB 3.39Å; S215-D218 PolarHBondContact O-N 3.31Å; S215-E219 PolarHBondContact O-N 3.4Å; S215-E219 VanDerWaalsContact O-N 3.09Å | ||
| 216 | L | 67 | Low | 50.4 | Low | 26 Ų | 26 | 101 Ų | 101 | 14% | 0.136 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -47.9 | -41.2 | 174.8 | 177.8 | 64 | 0 | 0 | 0 | 111.7 | D218 E219 L220 N281 A533 | L216-D218 VanDerWaalsContact C-N 3.3Å; L216-D218 PolarHBondContact O-N 3.49Å; L216-E219 PolarHBondContact O-N 3.15Å; L216-L220 HydrophobicContact CD1-CD1 3.87Å; L216-L220 HydrophobicContact CD1-CG 4.19Å; L216-L220 HydrophobicContact CG-CD1 3.91Å; L216-L220 HydrophobicContact CG-CG 4.48Å; L216-L220 WeakPolarHBondContact O-CB 3.22Å; L216-L220 VanDerWaalsContact O-CG 3.24Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.36Å; L216-N281 VanDerWaalsContact CD2-OD1 3.23Å; L216-N281 WeakPolarHBondContact CD2-OD1 3.42Å; L216-A533 HydrophobicContact CB-CB 3.77Å; L216-A533 HydrophobicContact CD1-CB 3.67Å; L216-A533 HydrophobicContact CG-CB 4.22Å |
| 217 | M | 68.1 | Low | 53.4 | Low | 55 Ų | 55 | 94.5 Ų | 94.5 | 27% | 0.271 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | -179.7 | -63.1 | -66.1 | -86.1 | 0 | 0 | 111.9 | S215 L220 R221 K288 A289 | S215-M217 PolarHBondContact O-N 3.48Å; S215-M217 VanDerWaalsContact O-N 3.1Å; M217-L220 PolarHBondContact O-N 3.36Å; M217-R221 WeakPolarHBondContact O-CG 3.26Å; M217-R221 PolarHBondContact O-N 2.83Å; M217-K288 HydrophobicContact CE-CB 3.84Å; M217-K288 HydrophobicContact CE-CD 3.77Å; M217-K288 HydrophobicContact CE-CG 3.56Å; M217-K288 HydrophobicContact SD-CD 4.43Å; M217-A289 HydrophobicContact CE-CB 4.14Å; M217-A289 WeakPolarHBondContact O-CB 3.43Å; M217-A289 HydrophobicContact SD-CB 4.13Å |
| 218 | D | 68.9 | Low | 56.7 | Low | 59 Ų | 59 | 91.8 Ų | 91.8 | 32% | 0.316 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.9 | -30.1 | 179.1 | -65.3 | -34.3 | 0 | 0 | 0 | 112.5 | R214 S215 L216 L220 R221 | R214-D218 HydrophobicContact CB-CB 4.21Å; S215-D218 WeakPolarHBondContact O-CA 3.38Å; S215-D218 WeakPolarHBondContact O-CB 3.39Å; S215-D218 PolarHBondContact O-N 3.31Å; L216-D218 VanDerWaalsContact C-N 3.3Å; L216-D218 PolarHBondContact O-N 3.49Å; D218-L220 VanDerWaalsContact C-N 3.31Å; D218-R221 IonicContact OD1-CZ 3.09Å; D218-R221 IonicContact OD1-NE 3.2Å; D218-R221 PolarHBondContact OD1-NE 2.86Å; D218-R221 IonicContact OD1-NH2 3.88Å; D218-R221 PolarHBondContact OD1-NH2 3.29Å |
| 219 | E | 68.2 | Low | 59.7 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 29% | 0.29 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -31.8 | 169.3 | -66.2 | -173.2 | 167.7 | 0 | 0 | 112.3 | R214 S215 L216 A224 | R214-E219 HydrophobicContact CB-CG 4.06Å; S215-E219 PolarHBondContact O-N 3.4Å; S215-E219 VanDerWaalsContact O-N 3.09Å; L216-E219 PolarHBondContact O-N 3.15Å; E219-A224 WeakPolarHBondContact O-CB 3.5Å |
| 220 | L | 69.4 | Low | 63.1 | Low | 2 Ų | 2 | 83.3 Ų | 83.3 | 1% | 0.01 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -88.9 | -3.1 | -178.5 | -64.7 | 179.2 | 0 | 0 | 0 | 114.2 | L216 M217 D218 L225 F282 Y286 A289 N290 V537 | L216-L220 HydrophobicContact CD1-CD1 3.87Å; L216-L220 HydrophobicContact CD1-CG 4.19Å; L216-L220 HydrophobicContact CG-CD1 3.91Å; L216-L220 HydrophobicContact CG-CG 4.48Å; L216-L220 WeakPolarHBondContact O-CB 3.22Å; L216-L220 VanDerWaalsContact O-CG 3.24Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.36Å; M217-L220 PolarHBondContact O-N 3.36Å; D218-L220 VanDerWaalsContact C-N 3.31Å; L220-L225 HydrophobicContact CD2-CD1 4.12Å; L220-F282 HydrophobicContact CD2-CD2 3.55Å; L220-F282 HydrophobicContact CD2-CE2 3.74Å; L220-Y286 WeakPolarHBondContact O-CD2 3.49Å; L220-Y286 WeakPolarHBondContact O-CE2 3.38Å; L220-A289 HydrophobicContact CB-CB 3.89Å; L220-N290 PolarHBondContact O-ND2 3.4Å; L220-V537 HydrophobicContact CD2-CG2 4Å |
| 221 | R | 66.9 | Low | 66.4 | Low | 137 Ų | 137 | 74 Ų | 74 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -67.7 | 137.7 | 172.3 | -66.3 | -167.3 | -153.2 | -135.1 | 6 | 110.4 | M217 D218 V223 A224 | M217-R221 WeakPolarHBondContact O-CG 3.26Å; M217-R221 PolarHBondContact O-N 2.83Å; D218-R221 IonicContact OD1-CZ 3.09Å; D218-R221 IonicContact OD1-NE 3.2Å; D218-R221 PolarHBondContact OD1-NE 2.86Å; D218-R221 IonicContact OD1-NH2 3.88Å; D218-R221 PolarHBondContact OD1-NH2 3.29Å; R221-V223 PolarHBondContact O-N 3.48Å; R221-A224 WeakPolarHBondContact O-CB 3.45Å; R221-A224 PolarHBondContact O-N 2.98Å |
| 222 | G | 53.1 | Low | 69.6 | Low | 17 Ų | 17 | 69.3 Ų | 69.3 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -53.1 | -25.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | A224 N226 N290 | G222-A224 VanDerWaalsContact C-N 3.34Å; G222-N226 PolarHBondContact O-N 2.96Å; G222-N290 PolarHBondContact N-OD1 3.35Å |
| 223 | V | 49.6 | Very low | 72.8 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 82% | 0.824 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.9 | -28.9 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | R221 | R221-V223 PolarHBondContact O-N 3.48Å |
| 224 | A | 57.6 | Low | 75.4 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -81 | -27.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E219 R221 G222 | E219-A224 WeakPolarHBondContact O-CB 3.5Å; R221-A224 WeakPolarHBondContact O-CB 3.45Å; R221-A224 PolarHBondContact O-N 2.98Å; G222-A224 VanDerWaalsContact C-N 3.34Å |
| 225 | L | 67.9 | Low | 77.4 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -101.4 | -5.1 | -176.2 | -66.5 | 170.4 | 0 | 0 | 0 | 114.1 | L220 F227 F282 Y286 V537 | L220-L225 HydrophobicContact CD2-CD1 4.12Å; L225-F227 HydrophobicContact CB-CD1 4.24Å; L225-F227 HydrophobicContact CB-CD2 4.18Å; L225-F227 HydrophobicContact CB-CE1 4.39Å; L225-F227 HydrophobicContact CB-CE2 4.31Å; L225-F227 HydrophobicContact CB-CG 4.14Å; L225-F227 HydrophobicContact CB-CZ 4.43Å; L225-F227 HydrophobicContact CD1-CD2 4.31Å; L225-F227 HydrophobicContact CD1-CE2 4.03Å; L225-F227 PolarHBondContact O-N 3.46Å; L225-F282 HydrophobicContact CD1-CE2 3.91Å; L225-F282 HydrophobicContact CD1-CZ 4.43Å; L225-Y286 HydrophobicContact CD1-CD2 4.02Å; L225-Y286 HydrophobicContact CD1-CE2 4.14Å; L225-V537 HydrophobicContact CD2-CB 3.93Å; L225-V537 HydrophobicContact CD2-CG1 4.07Å; L225-V537 HydrophobicContact CD2-CG2 4.44Å |
| 226 | N | 79.9 | Confident | 78.6 | Confident | 140 Ų | 140 | 58.5 Ų | 58.5 | 75% | 0.749 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 32 | -174.4 | -68.4 | -27.8 | 0 | 0 | 0 | 114.1 | G222 | G222-N226 PolarHBondContact O-N 2.96Š|
| 227 | F | 89.7 | Confident | 79.6 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 151.3 | 175 | -72.3 | -10.5 | 0 | 0 | 0 | 111.9 | L225 F282 Y286 H449 L451 W478 | L225-F227 HydrophobicContact CB-CD1 4.24Å; L225-F227 HydrophobicContact CB-CD2 4.18Å; L225-F227 HydrophobicContact CB-CE1 4.39Å; L225-F227 HydrophobicContact CB-CE2 4.31Å; L225-F227 HydrophobicContact CB-CG 4.14Å; L225-F227 HydrophobicContact CB-CZ 4.43Å; L225-F227 HydrophobicContact CD1-CD2 4.31Å; L225-F227 HydrophobicContact CD1-CE2 4.03Å; L225-F227 PolarHBondContact O-N 3.46Å; F227-F282 HydrophobicContact CE2-CE2 4.46Å; F227-F282 AromaticContact CE2-CZ 3.77Å; F227-F282 HydrophobicContact CE2-CZ 3.77Å; F227-F282 HydrophobicContact CZ-CE1 4.49Å; F227-F282 AromaticContact CZ-CZ 3.79Å; F227-F282 HydrophobicContact CZ-CZ 3.79Å; F227-Y286 HydrophobicContact CD2-CD2 4.24Å; F227-Y286 HydrophobicContact CD2-CE1 4.33Å; F227-Y286 AromaticContact CD2-CE2 3.56Å; F227-Y286 HydrophobicContact CD2-CE2 3.56Å; F227-Y286 AromaticContact CD2-CZ 3.62Å; F227-Y286 HydrophobicContact CE2-CD2 4.44Å; F227-Y286 HydrophobicContact CE2-CE2 4.18Å; F227-H449 AromaticContact CD2-CD2 3.77Å; F227-L451 HydrophobicContact CE2-CD2 3.86Å; F227-L451 HydrophobicContact CZ-CD2 4.18Å; F227-W478 AromaticContact CD1-CD2 3.81Å; F227-W478 HydrophobicContact CD1-CD2 3.81Å; F227-W478 AromaticContact CD1-CE2 3.73Å; F227-W478 HydrophobicContact CD1-CE3 4.12Å; F227-W478 HydrophobicContact CD1-CG 4.28Å; F227-W478 HydrophobicContact CD1-CH2 4.29Å; F227-W478 AromaticContact CD1-CZ2 3.99Å; F227-W478 HydrophobicContact CD1-CZ2 3.99Å; F227-W478 HydrophobicContact CD1-CZ3 4.35Å; F227-W478 HydrophobicContact CE1-CB 4.28Å; F227-W478 AromaticContact CE1-CD2 3.52Å; F227-W478 HydrophobicContact CE1-CD2 3.52Å; F227-W478 AromaticContact CE1-CE2 3.97Å; F227-W478 AromaticContact CE1-CE3 3.68Å; F227-W478 HydrophobicContact CE1-CE3 3.68Å; F227-W478 AromaticContact CE1-CG 3.81Å; F227-W478 HydrophobicContact CE1-CG 3.81Å; F227-W478 HydrophobicContact CE1-CZ2 4.5Å; F227-W478 HydrophobicContact CE1-CZ3 4.23Å; F227-W478 HydrophobicContact CZ-CB 4.14Å; F227-W478 HydrophobicContact CZ-CD2 4.24Å; F227-W478 HydrophobicContact CZ-CG 4.04Å |
| 228 | H | 92.1 | Very high | 80.5 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 152.4 | 176.7 | 70.7 | -53.4 | 0 | 0 | 0 | 112.7 | T236 T448 H449 V476 W478 | H228-T236 HydrophobicContact CB-CG2 3.6Å; H228-T448 PolarHBondContact CE1-O 3.33Å; H228-T448 VanDerWaalsContact CE1-O 3.23Å; H228-T448 PolarHBondContact NE2-O 3.47Å; H228-H449 AromaticContact CE1-CD2 3.6Å; H228-H449 AromaticContact CE1-CE1 3.53Å; H228-H449 AromaticContact CE1-ND1 3.97Å; H228-H449 AromaticContact CE1-NE2 3.25Å; H228-H449 PolarHBondContact CE1-NE2 3.09Å; H228-H449 VanDerWaalsContact CE1-NE2 3.25Å; H228-H449 AromaticContact ND1-CD2 3.74Å; H228-H449 AromaticContact ND1-CE1 3.8Å; H228-H449 AromaticContact ND1-NE2 3.17Å; H228-H449 PolarHBondContact ND1-NE2 3.01Å; H228-H449 VanDerWaalsContact ND1-NE2 3.17Å; H228-H449 PolarHBondContact O-CE1 3.02Å; H228-H449 PolarHBondContact O-NE2 3.29Å; H228-H449 VanDerWaalsContact O-NE2 3.14Å; H228-V476 WeakPolarHBondContact NE2-CG2 3.37Å; H228-W478 AromaticContact ND1-NE1 3.75Å |
| 229 | K | 93.3 | Very high | 81.7 | Confident | 143 Ų | 143 | 63 Ų | 63 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 151.6 | 167.8 | -63.9 | 179.7 | -179.3 | 178.8 | 0 | 110 | G231 E232 | K229-G231 PolarHBondContact O-N 2.66Å; K229-E232 HydrophobicContact CB-CG 4.06Å; K229-E232 WeakPolarHBondContact O-CB 3.27Å; K229-E232 PolarHBondContact O-N 3.12Å |
| 230 | P | 93.9 | Very high | 82.9 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 129.9 | 172.4 | -30.9 | 39.3 | 0 | 0 | 0 | 112.3 | E232 G258 I260 T448 | P230-E232 VanDerWaalsContact C-N 3.32Å; P230-G258 WeakPolarHBondContact CB-O 3.43Å; P230-G258 WeakPolarHBondContact CG-O 3.16Å; P230-I260 HydrophobicContact CG-CG1 3.78Å; P230-T448 HydrophobicContact CB-CG2 4.14Å; P230-T448 HydrophobicContact CG-CG2 4.37Å |
| 231 | G | 92.4 | Very high | 84.2 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -5.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | K229 | K229-G231 PolarHBondContact O-N 2.66Š|
| 232 | E | 96 | Very high | 85.6 | Confident | 53 Ų | 53 | 62 Ų | 62 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | trans | -102.1 | 26 | 177.6 | -55.3 | -165.7 | 149.7 | 0 | 0 | 113.3 | K229 P230 Y234 K235 | K229-E232 HydrophobicContact CB-CG 4.06Å; K229-E232 WeakPolarHBondContact O-CB 3.27Å; K229-E232 PolarHBondContact O-N 3.12Å; P230-E232 VanDerWaalsContact C-N 3.32Å; E232-Y234 HydrophobicContact CB-CE1 4.4Å; E232-Y234 PolarHBondContact O-N 3.05Å; E232-Y234 VanDerWaalsContact O-N 3.11Å; E232-K235 HydrophobicContact CB-CD 4.11Å; E232-K235 HydrophobicContact CB-CG 4.41Å; E232-K235 WeakPolarHBondContact O-CB 3.28Å; E232-K235 PolarHBondContact O-N 3.36Å; E232-K235 IonicContact OE1-NZ 2.9Å; E232-K235 PolarHBondContact OE1-NZ 3.15Å; E232-K235 IonicContact OE2-NZ 3.67Å; E232-K235 PolarHBondContact OE2-NZ 3.34Å | ||
| 233 | N | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -53.6 | -36.5 | -176.3 | -54.9 | 38.6 | 0 | 0 | 0 | 112.2 | K235 T236 Y239 L249 Y473 C474 V476 | N233-K235 PolarHBondContact O-N 2.79Å; N233-T236 PolarHBondContact O-N 2.94Å; N233-T236 PolarHBondContact O-OG1 3.21Å; N233-Y239 HydrophobicContact CB-CD2 4.22Å; N233-Y239 HydrophobicContact CB-CE1 4.09Å; N233-Y239 HydrophobicContact CB-CE2 3.64Å; N233-L249 HydrophobicContact CB-CD2 4.04Å; N233-Y473 PolarHBondContact ND2-OH 2.99Å; N233-C474 PolarHBondContact ND2-O 3.47Å; N233-C474 VanDerWaalsContact ND2-O 3.16Å; N233-V476 HydrophobicContact CB-CG2 3.58Å |
| 234 | Y | 95.1 | Very high | 89.9 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 37% | 0.365 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -61.8 | -11.8 | 179.1 | 66.9 | -89.3 | 0 | 0 | 0 | 115 | E232 M246 L249 | E232-Y234 HydrophobicContact CB-CE1 4.4Å; E232-Y234 PolarHBondContact O-N 3.05Å; E232-Y234 VanDerWaalsContact O-N 3.11Å; Y234-M246 HydrophobicContact CD1-CE 4.21Å; Y234-M246 HydrophobicContact CD1-SD 4.48Å; Y234-M246 HydrophobicContact CD2-CE 4.26Å; Y234-M246 HydrophobicContact CG-CE 4.02Å; Y234-L249 HydrophobicContact CD1-CD1 3.77Å |
| 235 | K | 94.1 | Very high | 91.7 | Very high | 124 Ų | 124 | 63.5 Ų | 63.5 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -86.7 | -11.7 | 175.4 | -61.1 | -175.3 | -171.6 | 170.1 | 0 | 113.2 | E232 N233 | E232-K235 HydrophobicContact CB-CD 4.11Å; E232-K235 HydrophobicContact CB-CG 4.41Å; E232-K235 WeakPolarHBondContact O-CB 3.28Å; E232-K235 PolarHBondContact O-N 3.36Å; E232-K235 IonicContact OE1-NZ 2.9Å; E232-K235 PolarHBondContact OE1-NZ 3.15Å; E232-K235 IonicContact OE2-NZ 3.67Å; E232-K235 PolarHBondContact OE2-NZ 3.34Å; N233-K235 PolarHBondContact O-N 2.79Å |
| 236 | T | 91.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 10% | 0.104 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -82.9 | 149.3 | -175.5 | 68.8 | 0 | 0 | 0 | 0 | 112 | H228 N233 G238 Y239 V476 W478 | H228-T236 HydrophobicContact CB-CG2 3.6Å; N233-T236 PolarHBondContact O-N 2.94Å; N233-T236 PolarHBondContact O-OG1 3.21Å; T236-G238 PolarHBondContact O-N 2.82Å; T236-Y239 WeakPolarHBondContact O-CB 3.41Å; T236-Y239 PolarHBondContact O-N 3.09Å; T236-V476 HydrophobicContact CG2-CG1 3.98Å; T236-V476 HydrophobicContact CG2-CG2 4.06Å; T236-W478 HydrophobicContact CG2-CZ2 3.9Å |
| 237 | E | 87 | Confident | 93.9 | Very high | 160 Ų | 160 | 64.5 Ų | 64.5 | 75% | 0.748 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 132.9 | -178.4 | -169.5 | -175 | 172.1 | 0 | 0 | 111.9 | Y239 | E237-Y239 PolarHBondContact O-N 2.82Š|
| 238 | G | 88.3 | Confident | 94.3 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -1.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T236 F464 | T236-G238 PolarHBondContact O-N 2.82Å; G238-F464 VanDerWaalsContact O-CD2 3.3Å; G238-F464 WeakPolarHBondContact O-CD2 3.49Å |
| 239 | Y | 93.4 | Very high | 94.5 | Very high | 25 Ų | 25 | 63.9 Ų | 63.9 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | trans | -70.9 | 134.5 | 176.9 | -158.4 | -91.8 | 0 | 0 | 0 | 111.4 | N233 T236 E237 T245 F464 C474 V476 | N233-Y239 HydrophobicContact CB-CD2 4.22Å; N233-Y239 HydrophobicContact CB-CE1 4.09Å; N233-Y239 HydrophobicContact CB-CE2 3.64Å; T236-Y239 WeakPolarHBondContact O-CB 3.41Å; T236-Y239 PolarHBondContact O-N 3.09Å; E237-Y239 PolarHBondContact O-N 2.82Å; Y239-T245 HydrophobicContact CE1-CG2 3.93Å; Y239-F464 HydrophobicContact CD2-CE1 4.26Å; Y239-F464 HydrophobicContact CD2-CZ 4.36Å; Y239-C474 HydrophobicContact CE2-CB 4.12Å; Y239-C474 VanDerWaalsContact CE2-O 3.25Å; Y239-C474 WeakPolarHBondContact CE2-O 3.48Å; Y239-C474 WeakPolarHBondContact OH-CB 3.48Å; Y239-C474 PolarHBondContact OH-O 3.28Å; Y239-V476 HydrophobicContact CD2-CG2 4.19Å; Y239-V476 HydrophobicContact CE2-CG2 4.17Å | ||
| 240 | V | 94.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | trans | -100.8 | 122.6 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | T242 N468 | V240-T242 HydrophobicContact CG1-CG2 4.39Å; V240-T242 PolarHBondContact O-N 2.91Å; V240-N468 WeakPolarHBondContact CB-ND2 3.08Å | ||
| 241 | V | 96.1 | Very high | 94.8 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | trans | -91 | 103.6 | 174.5 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | T245 M246 | V241-T245 HydrophobicContact CG1-CG2 4.24Å; V241-M246 HydrophobicContact CG1-CE 4.19Å | ||
| 242 | T | 95.7 | Very high | 95 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | trans | -84.6 | 166.8 | 172 | 75.5 | 0 | 0 | 0 | 0 | 110.5 | V240 K244 T245 N468 | V240-T242 HydrophobicContact CG1-CG2 4.39Å; V240-T242 PolarHBondContact O-N 2.91Å; T242-K244 PolarHBondContact O-N 3.32Å; T242-K244 VanDerWaalsContact O-N 3.09Å; T242-K244 PolarHBondContact OG1-N 3.23Å; T242-T245 PolarHBondContact N-OG1 2.88Å; T242-T245 WeakPolarHBondContact O-CB 3.34Å; T242-T245 PolarHBondContact O-N 3Å; T242-T245 VanDerWaalsContact O-N 3.08Å; T242-T245 PolarHBondContact O-OG1 2.82Å; T242-T245 PolarHBondContact OG1-N 3.34Å; T242-T245 PolarHBondContact OG1-OG1 2.88Å; T242-N468 HydrophobicContact CG2-CB 4.1Å | ||
| 243 | P | 97.3 | Very high | 94.9 | Very high | 134 Ų | 134 | 67.6 Ų | 67.6 | 87% | 0.87 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.5 | 174.2 | -26.9 | 36.4 | 0 | 0 | 0 | 114.6 | ||
| 244 | K | 96 | Very high | 94.7 | Very high | 95 Ų | 95 | 72.4 Ų | 72.4 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -8.8 | 179.9 | -70.4 | 176.3 | 178.2 | 173.4 | 0 | 113.8 | T242 M246 D247 L248 D471 | T242-K244 PolarHBondContact O-N 3.32Å; T242-K244 VanDerWaalsContact O-N 3.09Å; T242-K244 PolarHBondContact OG1-N 3.23Å; K244-M246 VanDerWaalsContact C-N 3.32Å; K244-M246 PolarHBondContact O-N 3.46Å; K244-D247 PolarHBondContact O-N 3.04Å; K244-D247 VanDerWaalsContact O-N 3.17Å; K244-L248 HydrophobicContact CB-CD1 4.06Å; K244-L248 HydrophobicContact CB-CG 4.39Å; K244-L248 VanDerWaalsContact O-CG 3.32Å; K244-L248 WeakPolarHBondContact O-CG 3.24Å; K244-L248 PolarHBondContact O-N 3.26Å; K244-D471 HydrophobicContact CD-CB 3.6Å; K244-D471 IonicContact NZ-OD2 2.7Å; K244-D471 PolarHBondContact NZ-OD2 3.18Å |
| 245 | T | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.5 | -42.9 | -171.6 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | Y239 V241 T242 L248 L249 | Y239-T245 HydrophobicContact CE1-CG2 3.93Å; V241-T245 HydrophobicContact CG1-CG2 4.24Å; T242-T245 PolarHBondContact N-OG1 2.88Å; T242-T245 WeakPolarHBondContact O-CB 3.34Å; T242-T245 PolarHBondContact O-N 3Å; T242-T245 VanDerWaalsContact O-N 3.08Å; T242-T245 PolarHBondContact O-OG1 2.82Å; T242-T245 PolarHBondContact OG1-N 3.34Å; T242-T245 PolarHBondContact OG1-OG1 2.88Å; T245-L248 PolarHBondContact O-N 3.14Å; T245-L249 HydrophobicContact CG2-CD1 3.92Å; T245-L249 HydrophobicContact CG2-CG 4.42Å; T245-L249 WeakPolarHBondContact O-CB 3.4Å; T245-L249 VanDerWaalsContact O-CG 3.29Å; T245-L249 WeakPolarHBondContact O-CG 3.25Å; T245-L249 PolarHBondContact O-N 3.49Å |
| 246 | M | 97.3 | Very high | 94.5 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 48% | 0.478 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.3 | -36.8 | -178.7 | -64.1 | -58.9 | 173.8 | 0 | 0 | 112.5 | Y234 V241 K244 L249 K250 | Y234-M246 HydrophobicContact CD1-CE 4.21Å; Y234-M246 HydrophobicContact CD1-SD 4.48Å; Y234-M246 HydrophobicContact CD2-CE 4.26Å; Y234-M246 HydrophobicContact CG-CE 4.02Å; V241-M246 HydrophobicContact CG1-CE 4.19Å; K244-M246 VanDerWaalsContact C-N 3.32Å; K244-M246 PolarHBondContact O-N 3.46Å; M246-L249 PolarHBondContact O-N 3.2Å; M246-L249 HydrophobicContact SD-CD1 4.32Å; M246-K250 WeakPolarHBondContact O-CB 3.18Å; M246-K250 PolarHBondContact O-N 2.81Å |
| 247 | D | 97.3 | Very high | 94.5 | Very high | 99 Ų | 99 | 67.1 Ų | 67.1 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 175.3 | -68.2 | -27.1 | 0 | 0 | 0 | 111.4 | K244 K250 Q251 | K244-D247 PolarHBondContact O-N 3.04Å; K244-D247 VanDerWaalsContact O-N 3.17Å; D247-K250 WeakPolarHBondContact O-CB 3.48Å; D247-K250 PolarHBondContact O-N 3.27Å; D247-Q251 WeakPolarHBondContact O-CG 3.45Å; D247-Q251 PolarHBondContact O-N 2.79Å |
| 248 | L | 97.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175.4 | -70.1 | 167.1 | 0 | 0 | 0 | 111.8 | K244 T245 K250 Q251 H252 | K244-L248 HydrophobicContact CB-CD1 4.06Å; K244-L248 HydrophobicContact CB-CG 4.39Å; K244-L248 VanDerWaalsContact O-CG 3.32Å; K244-L248 WeakPolarHBondContact O-CG 3.24Å; K244-L248 PolarHBondContact O-N 3.26Å; T245-L248 PolarHBondContact O-N 3.14Å; L248-K250 VanDerWaalsContact C-N 3.32Å; L248-Q251 PolarHBondContact O-N 2.73Å; L248-H252 VanDerWaalsContact O-CB 3.28Å; L248-H252 WeakPolarHBondContact O-CB 3.3Å; L248-H252 PolarHBondContact O-N 2.93Å |
| 249 | L | 97.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 175.3 | -72.5 | 170.8 | 0 | 0 | 0 | 112 | N233 Y234 T245 M246 H252 L253 Y473 | N233-L249 HydrophobicContact CB-CD2 4.04Å; Y234-L249 HydrophobicContact CD1-CD1 3.77Å; T245-L249 HydrophobicContact CG2-CD1 3.92Å; T245-L249 HydrophobicContact CG2-CG 4.42Å; T245-L249 WeakPolarHBondContact O-CB 3.4Å; T245-L249 VanDerWaalsContact O-CG 3.29Å; T245-L249 WeakPolarHBondContact O-CG 3.25Å; T245-L249 PolarHBondContact O-N 3.49Å; M246-L249 PolarHBondContact O-N 3.2Å; M246-L249 HydrophobicContact SD-CD1 4.32Å; L249-H252 WeakPolarHBondContact O-CB 3.37Å; L249-H252 PolarHBondContact O-N 3.38Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 WeakPolarHBondContact O-CG 2.77Å; L249-L253 PolarHBondContact O-N 2.91Å; L249-Y473 HydrophobicContact CD2-CD2 4.34Å; L249-Y473 HydrophobicContact CD2-CE2 3.94Å |
| 250 | K | 96.1 | Very high | 95.1 | Very high | 126 Ų | 126 | 59 Ų | 59 | 55% | 0.548 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 173 | -175.3 | -174.4 | 173 | -165.6 | 0 | 111.3 | M246 D247 L248 H252 L253 E254 | M246-K250 WeakPolarHBondContact O-CB 3.18Å; M246-K250 PolarHBondContact O-N 2.81Å; D247-K250 WeakPolarHBondContact O-CB 3.48Å; D247-K250 PolarHBondContact O-N 3.27Å; L248-K250 VanDerWaalsContact C-N 3.32Å; K250-H252 VanDerWaalsContact C-N 3.3Å; K250-H252 PolarHBondContact O-N 3.07Å; K250-L253 PolarHBondContact O-N 3.33Å; K250-E254 WeakPolarHBondContact CE-OE1 3.29Å; K250-E254 WeakPolarHBondContact O-CG 3.36Å; K250-E254 PolarHBondContact O-N 3.06Å |
| 251 | Q | 96 | Very high | 95.3 | Very high | 115 Ų | 115 | 55.8 Ų | 55.8 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 175.8 | -69.6 | 171.7 | 25.2 | 0 | 0 | 111.8 | D247 L248 E254 F255 | D247-Q251 WeakPolarHBondContact O-CG 3.45Å; D247-Q251 PolarHBondContact O-N 2.79Å; L248-Q251 PolarHBondContact O-N 2.73Å; Q251-E254 PolarHBondContact O-N 3.41Å; Q251-F255 WeakPolarHBondContact O-CB 3.26Å; Q251-F255 PolarHBondContact O-N 3.13Å |
| 252 | H | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 174.4 | 169.3 | 73 | 0 | 0 | 0 | 112 | L248 L249 K250 E254 F255 T256 N446 Y473 | L248-H252 VanDerWaalsContact O-CB 3.28Å; L248-H252 WeakPolarHBondContact O-CB 3.3Å; L248-H252 PolarHBondContact O-N 2.93Å; L249-H252 WeakPolarHBondContact O-CB 3.37Å; L249-H252 PolarHBondContact O-N 3.38Å; K250-H252 VanDerWaalsContact C-N 3.3Å; K250-H252 PolarHBondContact O-N 3.07Å; H252-E254 PolarHBondContact O-N 3.21Å; H252-F255 PolarHBondContact O-N 3.46Å; H252-T256 VanDerWaalsContact CE1-CG2 3.48Å; H252-T256 WeakPolarHBondContact CE1-CG2 3.2Å; H252-T256 WeakPolarHBondContact O-CB 3.47Å; H252-T256 VanDerWaalsContact O-CG2 3.27Å; H252-T256 WeakPolarHBondContact O-CG2 3.32Å; H252-T256 PolarHBondContact O-N 2.95Å; H252-T256 PolarHBondContact O-OG1 3.4Å; H252-N446 PolarHBondContact CE1-O 3.24Å; H252-N446 PolarHBondContact ND1-OD1 2.93Å; H252-Y473 HydrophobicContact CB-CD2 3.8Å; H252-Y473 HydrophobicContact CB-CE2 3.99Å; H252-Y473 HydrophobicContact CB-CG 4.3Å; H252-Y473 AromaticContact CD2-CE2 3.88Å; H252-Y473 AromaticContact CE1-CE1 3.85Å; H252-Y473 AromaticContact CE1-CZ 3.49Å; H252-Y473 VanDerWaalsContact CE1-CZ 3.49Å; H252-Y473 PolarHBondContact CE1-OH 3.49Å; H252-Y473 AromaticContact CG-CD2 3.88Å; H252-Y473 AromaticContact CG-CE2 3.56Å; H252-Y473 AromaticContact CG-CZ 3.82Å; H252-Y473 AromaticContact ND1-CE1 3.61Å; H252-Y473 AromaticContact ND1-CE2 3.68Å; H252-Y473 AromaticContact ND1-CZ 3.44Å; H252-Y473 AromaticContact NE2-CZ 3.91Å |
| 253 | L | 94.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -36.6 | 176.6 | -73.6 | 174 | 0 | 0 | 0 | 112.6 | L249 K250 F255 G257 | L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 WeakPolarHBondContact O-CG 2.77Å; L249-L253 PolarHBondContact O-N 2.91Å; K250-L253 PolarHBondContact O-N 3.33Å; L253-F255 VanDerWaalsContact C-N 3.33Å; L253-G257 WeakPolarHBondContact O-CA 3.37Å; L253-G257 PolarHBondContact O-N 3.46Å |
| 254 | E | 92.3 | Very high | 95.5 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 173.9 | -72.9 | 170.3 | -179.5 | 0 | 0 | 111.9 | K250 Q251 H252 | K250-E254 WeakPolarHBondContact CE-OE1 3.29Å; K250-E254 WeakPolarHBondContact O-CG 3.36Å; K250-E254 PolarHBondContact O-N 3.06Å; Q251-E254 PolarHBondContact O-N 3.41Å; H252-E254 PolarHBondContact O-N 3.21Å |
| 255 | F | 92 | Very high | 95.5 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.6 | -41.2 | 176.9 | -175.3 | -90.4 | 0 | 0 | 0 | 112.7 | P178 Q251 H252 L253 N446 | P178-F255 HydrophobicContact CG-CD2 4.1Å; Q251-F255 WeakPolarHBondContact O-CB 3.26Å; Q251-F255 PolarHBondContact O-N 3.13Å; H252-F255 PolarHBondContact O-N 3.46Å; L253-F255 VanDerWaalsContact C-N 3.33Å; F255-N446 HydrophobicContact CD1-CB 3.79Å; F255-N446 HydrophobicContact CE1-CB 4.06Å |
| 256 | T | 92.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -96.1 | -15.5 | -171.2 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | H252 G258 Q259 N446 | H252-T256 VanDerWaalsContact CE1-CG2 3.48Å; H252-T256 WeakPolarHBondContact CE1-CG2 3.2Å; H252-T256 WeakPolarHBondContact O-CB 3.47Å; H252-T256 VanDerWaalsContact O-CG2 3.27Å; H252-T256 WeakPolarHBondContact O-CG2 3.32Å; H252-T256 PolarHBondContact O-N 2.95Å; H252-T256 PolarHBondContact O-OG1 3.4Å; T256-G258 PolarHBondContact O-N 2.83Å; T256-G258 PolarHBondContact OG1-N 3.31Å; T256-Q259 VanDerWaalsContact O-CB 3.24Å; T256-Q259 WeakPolarHBondContact O-CB 3.24Å; T256-Q259 PolarHBondContact O-N 2.93Å; T256-Q259 VanDerWaalsContact O-N 3.13Å; T256-N446 HydrophobicContact CG2-CB 3.79Å |
| 257 | G | 91.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 49% | 0.485 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 16.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L253 Q259 | L253-G257 WeakPolarHBondContact O-CA 3.37Å; L253-G257 PolarHBondContact O-N 3.46Å; G257-Q259 VanDerWaalsContact C-N 3.34Å |
| 258 | G | 91.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 34% | 0.34 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 17 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P230 T256 | P230-G258 WeakPolarHBondContact CB-O 3.43Å; P230-G258 WeakPolarHBondContact CG-O 3.16Å; T256-G258 PolarHBondContact O-N 2.83Å; T256-G258 PolarHBondContact OG1-N 3.31Å |
| 259 | Q | 94.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | trans | -75.8 | 145.4 | 177.8 | -169.9 | 177.4 | 41.8 | 0 | 0 | 112.3 | M170 H174 T256 G257 D291 | M170-Q259 HydrophobicContact CE-CB 4.06Å; M170-Q259 HydrophobicContact CE-CG 4.43Å; M170-Q259 HydrophobicContact SD-CB 4.09Å; M170-Q259 HydrophobicContact SD-CG 4.34Å; H174-Q259 PolarHBondContact CE1-OE1 2.94Å; H174-Q259 PolarHBondContact NE2-OE1 3.21Å; T256-Q259 VanDerWaalsContact O-CB 3.24Å; T256-Q259 WeakPolarHBondContact O-CB 3.24Å; T256-Q259 PolarHBondContact O-N 2.93Å; T256-Q259 VanDerWaalsContact O-N 3.13Å; G257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-D291 PolarHBondContact NE2-O 2.89Å | ||
| 260 | I | 96.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | trans | -69.8 | 135.4 | 170.1 | -62.3 | -152 | 0 | 0 | 0 | 110.4 | P230 T262 Y286 N290 G292 I293 | P230-I260 HydrophobicContact CG-CG1 3.78Å; I260-T262 HydrophobicContact CG2-CG2 4.38Å; I260-Y286 HydrophobicContact CD1-CE1 3.7Å; I260-Y286 HydrophobicContact CG2-CD1 3.92Å; I260-Y286 HydrophobicContact CG2-CE1 3.67Å; I260-N290 HydrophobicContact CD1-CB 3.43Å; I260-N290 VanDerWaalsContact CD1-CB 3.43Å; I260-N290 HydrophobicContact CG1-CB 4.13Å; I260-G292 CarbonylContact O-C 3.53Å; I260-G292 WeakPolarHBondContact O-CA 3.5Å; I260-I293 PolarHBondContact O-N 3.49Å | ||
| 261 | R | 98.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 116.4 | -179 | -62.2 | 169.6 | 69.9 | 95.3 | -0.4 | 109 | I293 Y295 E445 N446 I447 T448 H449 | R261-I293 WeakPolarHBondContact CA-O 3.25Å; R261-I293 HydrophobicContact CB-CG1 4.36Å; R261-I293 HydrophobicContact CG-CD1 4.04Å; R261-I293 HydrophobicContact CG-CG1 3.74Å; R261-I293 VanDerWaalsContact NH1-CD1 3.32Å; R261-Y295 PolarHBondContact NH2-OH 2.76Å; R261-E445 PolarHBondContact NE-O 3.15Å; R261-E445 VanDerWaalsContact NE-O 3.08Å; R261-E445 PolarHBondContact NH2-O 2.87Å; R261-N446 VanDerWaalsContact CD-O 3.27Å; R261-N446 WeakPolarHBondContact CD-O 3.34Å; R261-N446 PolarHBondContact NE-O 3.42Å; R261-I447 WeakPolarHBondContact O-CG2 3.38Å; R261-T448 HydrophobicContact CB-CG2 4.44Å; R261-T448 PolarHBondContact N-OG1 3.33Å; R261-T448 PolarHBondContact O-N 2.93Å; R261-T448 PolarHBondContact O-OG1 3.32Å; R261-H449 PolarHBondContact O-N 3.29Å |
| 262 | T | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 173.8 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | I260 N283 Y286 I293 C294 Y295 H449 L451 | I260-T262 HydrophobicContact CG2-CG2 4.38Å; T262-N283 PolarHBondContact OG1-O 3.07Å; T262-Y286 HydrophobicContact CG2-CD1 3.85Å; T262-I293 PolarHBondContact N-O 3.44Å; T262-I293 PolarHBondContact OG1-O 3.26Å; T262-C294 WeakPolarHBondContact O-CA 3.47Å; T262-C294 VanDerWaalsContact OG1-CB 3.25Å; T262-C294 WeakPolarHBondContact OG1-CB 3.46Å; T262-C294 PolarHBondContact OG1-SG 3.47Å; T262-Y295 PolarHBondContact O-N 3.07Å; T262-H449 HydrophobicContact CG2-CB 4.01Å; T262-L451 HydrophobicContact CG2-CD1 4.24Å |
| 263 | R | 98.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 28 Ų | 28 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 140.9 | 171.8 | 78.2 | -63.6 | -178.6 | -96.6 | 0.9 | 111.7 | P265 N283 Y295 D442 I447 S450 L451 | R263-P265 HydrophobicContact CG-CB 4.44Å; R263-P265 HydrophobicContact CG-CG 4.33Å; R263-P265 WeakPolarHBondContact O-CD 3.43Å; R263-N283 VanDerWaalsContact O-CG 3.25Å; R263-N283 PolarHBondContact O-OD1 3.29Å; R263-Y295 CarbonylContact C-O 3.57Å; R263-Y295 WeakPolarHBondContact CA-O 3.44Å; R263-D442 WeakPolarHBondContact CD-OD1 3.27Å; R263-D442 IonicContact CZ-OD1 2.8Å; R263-D442 IonicContact CZ-OD2 3.96Å; R263-D442 IonicContact NE-OD1 3.66Å; R263-D442 PolarHBondContact NE-OD1 2.82Å; R263-D442 IonicContact NE-OD2 3.32Å; R263-D442 PolarHBondContact NE-OD2 3.32Å; R263-D442 IonicContact NH2-OD1 2.78Å; R263-D442 IonicContact NH2-OD2 2.9Å; R263-D442 PolarHBondContact NH2-OD2 2.73Å; R263-I447 HydrophobicContact CB-CD1 4.01Å; R263-I447 HydrophobicContact CG-CD1 4.42Å; R263-S450 PolarHBondContact NH2-OG 2.9Å; R263-L451 PolarHBondContact NH1-O 3.29Å |
| 264 | F | 97.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 111.3 | 165.5 | 176.6 | -123.3 | 0 | 0 | 0 | 108.5 | P266 L272 A279 I280 N283 F284 Y295 L296 R297 V318 | F264-P266 VanDerWaalsContact C-CD 3.41Å; F264-P266 HydrophobicContact CD1-CG 4.05Å; F264-P266 HydrophobicContact CE1-CB 4Å; F264-P266 HydrophobicContact CE1-CG 3.67Å; F264-P266 HydrophobicContact CZ-CB 3.96Å; F264-P266 HydrophobicContact CZ-CG 4.14Å; F264-P266 WeakPolarHBondContact O-CD 3.39Å; F264-L272 HydrophobicContact CE1-CD2 4.47Å; F264-L272 HydrophobicContact CZ-CD2 3.99Å; F264-A279 HydrophobicContact CD2-CB 4.09Å; F264-A279 HydrophobicContact CE2-CB 3.77Å; F264-I280 HydrophobicContact CD1-CG1 3.95Å; F264-I280 HydrophobicContact CD2-CG1 4.32Å; F264-I280 HydrophobicContact CE1-CD1 4.02Å; F264-I280 HydrophobicContact CE1-CG1 3.65Å; F264-I280 HydrophobicContact CE2-CG1 4.06Å; F264-I280 HydrophobicContact CG-CG1 4.29Å; F264-I280 HydrophobicContact CZ-CD1 4.15Å; F264-I280 HydrophobicContact CZ-CG1 3.72Å; F264-N283 HydrophobicContact CB-CB 4.34Å; F264-F284 HydrophobicContact CB-CD2 4.27Å; F264-F284 HydrophobicContact CB-CE2 3.49Å; F264-F284 VanDerWaalsContact CB-CE2 3.49Å; F264-F284 HydrophobicContact CB-CZ 4.1Å; F264-F284 AromaticContact CD1-CE2 3.99Å; F264-F284 HydrophobicContact CD1-CE2 3.99Å; F264-F284 HydrophobicContact CG-CE2 4.03Å; F264-Y295 PolarHBondContact N-O 3Å; F264-L296 HydrophobicContact CD1-CD1 3.75Å; F264-L296 HydrophobicContact CE1-CD1 4.36Å; F264-R297 PolarHBondContact O-N 3.39Å; F264-R297 VanDerWaalsContact O-N 3.08Å; F264-V318 HydrophobicContact CD1-CG2 4.17Å; F264-V318 HydrophobicContact CE1-CG2 4.21Å |
| 265 | P | 95.6 | Very high | 92.4 | Very high | 23 Ų | 23 | 20.6 Ų | 20.6 | 15% | 0.149 | 13% | 0.128 | C | C | . | . | trans | -113.5 | 74.2 | -171.8 | 41.1 | -31.9 | 0 | 0 | 0 | 114.3 | R263 R297 | R263-P265 HydrophobicContact CG-CB 4.44Å; R263-P265 HydrophobicContact CG-CG 4.33Å; R263-P265 WeakPolarHBondContact O-CD 3.43Å; P265-R297 CarbonylContact C-O 3.55Å; P265-R297 WeakPolarHBondContact CA-O 3.36Å; P265-R297 HydrophobicContact CB-CB 4.37Å | ||
| 266 | P | 93.7 | Very high | 92.5 | Very high | 10 Ų | 10 | 19.6 Ų | 19.6 | 7% | 0.065 | 13% | 0.125 | C | C | . | . | trans | -77.5 | 151.4 | -180 | 33.4 | -35.4 | 0 | 0 | 0 | 112.1 | F264 L272 L296 D299 I314 | F264-P266 VanDerWaalsContact C-CD 3.41Å; F264-P266 HydrophobicContact CD1-CG 4.05Å; F264-P266 HydrophobicContact CE1-CB 4Å; F264-P266 HydrophobicContact CE1-CG 3.67Å; F264-P266 HydrophobicContact CZ-CB 3.96Å; F264-P266 HydrophobicContact CZ-CG 4.14Å; F264-P266 WeakPolarHBondContact O-CD 3.39Å; P266-L272 HydrophobicContact CB-CD2 4.31Å; P266-L296 HydrophobicContact CG-CD1 3.91Å; P266-D299 PolarHBondContact O-N 2.99Å; P266-I314 HydrophobicContact CB-CD1 4.3Å; P266-I314 HydrophobicContact CB-CG2 4.41Å; P266-I314 HydrophobicContact CG-CD1 4.38Å; P266-I314 HydrophobicContact CG-CG2 3.64Å | ||
| 267 | E | 90.3 | Very high | 92.6 | Very high | 104 Ų | 104 | 19.6 Ų | 19.6 | 49% | 0.486 | 12% | 0.124 | S | C | . | . | trans | -67.2 | 132.9 | 166.2 | -61.3 | 178.8 | -164.2 | 0 | 0 | 109.7 | N269 G270 D299 I314 | E267-N269 WeakPolarHBondContact CB-OD1 3.49Å; E267-N269 PolarHBondContact O-N 2.98Å; E267-N269 PolarHBondContact OE2-OD1 3.05Å; E267-G270 PolarHBondContact O-N 2.95Å; E267-D299 HydrophobicContact CG-CB 4.46Å; E267-I314 VanDerWaalsContact O-CD1 3.28Å; E267-I314 WeakPolarHBondContact O-CD1 3.47Å | ||
| 268 | P | 85.8 | Confident | 92.6 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.6 | -175.4 | 29.1 | -36.7 | 0 | 0 | 0 | 114 | Y298 D299 D300 E306 Y310 F311 | P268-Y298 HydrophobicContact CB-CD1 3.74Å; P268-Y298 HydrophobicContact CB-CE1 4.47Å; P268-Y298 HydrophobicContact CB-CG 4.41Å; P268-D299 WeakPolarHBondContact CD-O 3.43Å; P268-D300 HydrophobicContact CG-CB 4.05Å; P268-E306 VanDerWaalsContact CG-CD 3.49Å; P268-E306 HydrophobicContact CG-CG 4.4Å; P268-E306 WeakPolarHBondContact CG-OE1 3.43Å; P268-Y310 WeakPolarHBondContact O-CB 3.2Å; P268-F311 HydrophobicContact CB-CD2 4.45Å |
| 269 | N | 83.1 | Confident | 92.6 | Very high | 16 Ų | 16 | 16.5 Ų | 16.5 | 9% | 0.086 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -0.1 | 175.8 | 69 | -8.9 | 0 | 0 | 0 | 112.1 | E267 E304 K492 | E267-N269 WeakPolarHBondContact CB-OD1 3.49Å; E267-N269 PolarHBondContact O-N 2.98Å; E267-N269 PolarHBondContact OE2-OD1 3.05Å; N269-E304 PolarHBondContact ND2-OE2 3.18Å; N269-K492 WeakPolarHBondContact O-CE 3.49Å; N269-K492 PolarHBondContact O-NZ 3.09Å |
| 270 | G | 81.5 | Confident | 92.7 | Very high | 18 Ų | 18 | 15.6 Ų | 15.6 | 19% | 0.186 | 9% | 0.086 | C | C | . | . | trans | -84 | 152.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E267 | E267-G270 PolarHBondContact O-N 2.95Š| ||
| 271 | I | 89.3 | Confident | 92.5 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 6% | 0.062 | 8% | 0.083 | C | C | . | . | trans | -99.2 | 114.4 | 170.5 | -59.7 | 172.2 | 0 | 0 | 0 | 108.1 | Y310 K492 I495 W507 T514 | I271-Y310 HydrophobicContact CD1-CE1 4.28Å; I271-Y310 HydrophobicContact CG1-CD1 4.23Å; I271-Y310 HydrophobicContact CG1-CE1 3.73Å; I271-K492 HydrophobicContact CD1-CG 4.18Å; I271-K492 HydrophobicContact CG1-CG 4.47Å; I271-I495 HydrophobicContact CD1-CG2 4.18Å; I271-W507 HydrophobicContact CD1-CB 4.01Å; I271-W507 HydrophobicContact CD1-CG 4.43Å; I271-W507 HydrophobicContact CG2-CE3 3.92Å; I271-T514 HydrophobicContact CG2-CG2 3.46Å; I271-T514 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 272 | L | 94.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 15 Ų | 15 | 5% | 0.047 | 8% | 0.083 | C | C | . | . | trans | -68.2 | 141.2 | 175.3 | -60 | -176.6 | 0 | 0 | 0 | 110.7 | F264 P266 H276 I280 I314 M317 T514 L515 | F264-L272 HydrophobicContact CE1-CD2 4.47Å; F264-L272 HydrophobicContact CZ-CD2 3.99Å; P266-L272 HydrophobicContact CB-CD2 4.31Å; L272-H276 HydrophobicContact CB-CB 4.28Å; L272-H276 HydrophobicContact CD2-CB 3.95Å; L272-I280 HydrophobicContact CD1-CD1 4.25Å; L272-I314 HydrophobicContact CD1-CB 4.19Å; L272-I314 HydrophobicContact CD1-CG1 3.98Å; L272-I314 HydrophobicContact CD1-CG2 4.21Å; L272-I314 HydrophobicContact CD2-CG1 4.27Å; L272-I314 HydrophobicContact CG-CG1 3.88Å; L272-M317 HydrophobicContact CD1-CB 3.9Å; L272-M317 HydrophobicContact CD1-CG 4.42Å; L272-T514 CarbonylContact O-C 3.58Å; L272-T514 VanDerWaalsContact O-CA 3.27Å; L272-T514 WeakPolarHBondContact O-CA 3.49Å; L272-T514 WeakPolarHBondContact O-CB 2.97Å; L272-L515 HydrophobicContact CB-CB 4.38Å; L272-L515 HydrophobicContact CB-CD1 3.89Å; L272-L515 HydrophobicContact CB-CG 4.19Å; L272-L515 HydrophobicContact CD1-CD1 4.32Å; L272-L515 PolarHBondContact O-N 3.31Å | ||
| 273 | H | 94.1 | Very high | 92 | Very high | 14 Ų | 14 | 15.1 Ų | 15.1 | 7% | 0.065 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -136.2 | 172.9 | -176.6 | 60.9 | 53.4 | 0 | 0 | 0 | 110.5 | G275 H276 A277 V490 F513 | H273-G275 WeakPolarHBondContact ND1-CA 3.31Å; H273-G275 PolarHBondContact ND1-N 2.86Å; H273-G275 VanDerWaalsContact ND1-N 3.11Å; H273-G275 PolarHBondContact O-N 3.33Å; H273-H276 AromaticContact CD2-CE1 3.46Å; H273-H276 PolarHBondContact CD2-CE1 2.87Å; H273-H276 VanDerWaalsContact CD2-CE1 3.46Å; H273-H276 AromaticContact CD2-ND1 3.4Å; H273-H276 PolarHBondContact CD2-ND1 3.02Å; H273-H276 AromaticContact CE1-CE1 3.5Å; H273-H276 PolarHBondContact CE1-CE1 3.45Å; H273-H276 VanDerWaalsContact CE1-CE1 3.5Å; H273-H276 AromaticContact CE1-ND1 3.24Å; H273-H276 PolarHBondContact CE1-ND1 3.21Å; H273-H276 AromaticContact CG-CE1 3.89Å; H273-H276 AromaticContact CG-ND1 3.32Å; H273-H276 VanDerWaalsContact CG-ND1 3.32Å; H273-H276 PolarHBondContact N-ND1 3.36Å; H273-H276 VanDerWaalsContact N-ND1 3.15Å; H273-H276 AromaticContact ND1-CE1 3.89Å; H273-H276 PolarHBondContact ND1-N 3.11Å; H273-H276 AromaticContact ND1-ND1 3.21Å; H273-H276 PolarHBondContact ND1-ND1 3.48Å; H273-H276 AromaticContact NE2-CE1 3.23Å; H273-H276 PolarHBondContact NE2-CE1 2.81Å; H273-H276 AromaticContact NE2-ND1 3.38Å; H273-H276 PolarHBondContact NE2-ND1 3.23Å; H273-H276 WeakPolarHBondContact O-CA 3.38Å; H273-H276 VanDerWaalsContact O-CB 3.24Å; H273-H276 WeakPolarHBondContact O-CB 3.45Å; H273-H276 PolarHBondContact O-N 3.05Å; H273-A277 PolarHBondContact O-N 3.43Å; H273-V490 HydrophobicContact CB-CB 4.18Å; H273-V490 HydrophobicContact CB-CG1 4.16Å; H273-F513 WeakPolarHBondContact CA-O 3.04Å; H273-F513 WeakPolarHBondContact CB-O 3.48Å |
| 274 | I | 92.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -52.3 | -36.1 | -176.2 | -169.5 | 59.1 | 0 | 0 | 0 | 114.3 | H276 A277 L483 L485 F513 L518 I528 F531 L549 | I274-H276 VanDerWaalsContact C-N 3.27Å; I274-H276 PolarHBondContact O-N 3.34Å; I274-A277 HydrophobicContact CD1-CB 4.09Å; I274-A277 WeakPolarHBondContact O-CB 3.3Å; I274-A277 PolarHBondContact O-N 3.26Å; I274-L483 HydrophobicContact CG1-CD2 4.41Å; I274-L485 HydrophobicContact CB-CD1 4.39Å; I274-L485 HydrophobicContact CG1-CD1 4.13Å; I274-L485 HydrophobicContact CG2-CD1 3.78Å; I274-L485 HydrophobicContact CG2-CG 3.87Å; I274-F513 HydrophobicContact CG2-CB 4.33Å; I274-F513 PolarHBondContact N-O 3.11Å; I274-L518 HydrophobicContact CB-CD1 4.24Å; I274-L518 HydrophobicContact CD1-CD1 3.93Å; I274-L518 HydrophobicContact CG1-CD1 4.47Å; I274-I528 HydrophobicContact CD1-CG2 4.01Å; I274-F531 HydrophobicContact CD1-CD1 4.44Å; I274-F531 HydrophobicContact CG1-CE1 4.39Å; I274-L549 HydrophobicContact CD1-CD2 4.04Å; I274-L549 HydrophobicContact CG1-CD2 4.29Å |
| 275 | G | 90.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 14.7 Ų | 14.7 | 11% | 0.113 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.3 | -32.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H273 A277 K278 L483 | H273-G275 WeakPolarHBondContact ND1-CA 3.31Å; H273-G275 PolarHBondContact ND1-N 2.86Å; H273-G275 VanDerWaalsContact ND1-N 3.11Å; H273-G275 PolarHBondContact O-N 3.33Å; G275-A277 VanDerWaalsContact C-N 3.31Å; G275-K278 PolarHBondContact O-N 2.86Å; G275-L483 WeakPolarHBondContact CA-O 2.97Å |
| 276 | H | 93.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 13.7 Ų | 13.7 | 25% | 0.25 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.3 | -24.7 | 172.7 | -64.4 | 101.6 | 0 | 0 | 0 | 112.3 | L272 H273 I274 K278 A279 I280 | L272-H276 HydrophobicContact CB-CB 4.28Å; L272-H276 HydrophobicContact CD2-CB 3.95Å; H273-H276 AromaticContact CD2-CE1 3.46Å; H273-H276 PolarHBondContact CD2-CE1 2.87Å; H273-H276 VanDerWaalsContact CD2-CE1 3.46Å; H273-H276 AromaticContact CD2-ND1 3.4Å; H273-H276 PolarHBondContact CD2-ND1 3.02Å; H273-H276 AromaticContact CE1-CE1 3.5Å; H273-H276 PolarHBondContact CE1-CE1 3.45Å; H273-H276 VanDerWaalsContact CE1-CE1 3.5Å; H273-H276 AromaticContact CE1-ND1 3.24Å; H273-H276 PolarHBondContact CE1-ND1 3.21Å; H273-H276 AromaticContact CG-CE1 3.89Å; H273-H276 AromaticContact CG-ND1 3.32Å; H273-H276 VanDerWaalsContact CG-ND1 3.32Å; H273-H276 PolarHBondContact N-ND1 3.36Å; H273-H276 VanDerWaalsContact N-ND1 3.15Å; H273-H276 AromaticContact ND1-CE1 3.89Å; H273-H276 PolarHBondContact ND1-N 3.11Å; H273-H276 AromaticContact ND1-ND1 3.21Å; H273-H276 PolarHBondContact ND1-ND1 3.48Å; H273-H276 AromaticContact NE2-CE1 3.23Å; H273-H276 PolarHBondContact NE2-CE1 2.81Å; H273-H276 AromaticContact NE2-ND1 3.38Å; H273-H276 PolarHBondContact NE2-ND1 3.23Å; H273-H276 WeakPolarHBondContact O-CA 3.38Å; H273-H276 VanDerWaalsContact O-CB 3.24Å; H273-H276 WeakPolarHBondContact O-CB 3.45Å; H273-H276 PolarHBondContact O-N 3.05Å; I274-H276 VanDerWaalsContact C-N 3.27Å; I274-H276 PolarHBondContact O-N 3.34Å; H276-K278 PolarHBondContact O-N 3.01Å; H276-A279 WeakPolarHBondContact O-CB 3.42Å; H276-A279 PolarHBondContact O-N 3.46Å; H276-I280 WeakPolarHBondContact O-CG1 3.39Å; H276-I280 PolarHBondContact O-N 3.44Å |
| 277 | A | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.7 | -40.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H273 I274 G275 I280 N281 L321 L515 I528 | H273-A277 PolarHBondContact O-N 3.43Å; I274-A277 HydrophobicContact CD1-CB 4.09Å; I274-A277 WeakPolarHBondContact O-CB 3.3Å; I274-A277 PolarHBondContact O-N 3.26Å; G275-A277 VanDerWaalsContact C-N 3.31Å; A277-I280 PolarHBondContact O-N 2.85Å; A277-N281 WeakPolarHBondContact O-CB 3.43Å; A277-N281 PolarHBondContact O-N 3.46Å; A277-N281 PolarHBondContact O-ND2 3.06Å; A277-L321 HydrophobicContact CB-CD1 4.43Å; A277-L515 HydrophobicContact CB-CD2 4.01Å; A277-I528 HydrophobicContact CB-CG2 3.54Å |
| 278 | K | 90.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 3% | 0.03 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.8 | -173.5 | 173.1 | -176.6 | 179.8 | 0 | 111.3 | G275 H276 F282 Y480 G481 L483 G536 | G275-K278 PolarHBondContact O-N 2.86Å; H276-K278 PolarHBondContact O-N 3.01Å; K278-F282 WeakPolarHBondContact O-CB 3.31Å; K278-F282 PolarHBondContact O-N 3.08Å; K278-Y480 HydrophobicContact CD-CD2 4.29Å; K278-Y480 HydrophobicContact CD-CE2 4.42Å; K278-Y480 HydrophobicContact CG-CD2 4.45Å; K278-Y480 HydrophobicContact CG-CE2 4.25Å; K278-G481 PolarHBondContact NZ-O 3.29Å; K278-L483 HydrophobicContact CB-CB 4.27Å; K278-L483 HydrophobicContact CB-CD2 4.24Å; K278-L483 HydrophobicContact CD-CB 3.82Å; K278-G536 WeakPolarHBondContact CE-O 3.27Å; K278-G536 PolarHBondContact NZ-O 2.78Å |
| 279 | A | 92.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 7% | 0.074 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F264 H276 N283 Y480 | F264-A279 HydrophobicContact CD2-CB 4.09Å; F264-A279 HydrophobicContact CE2-CB 3.77Å; H276-A279 WeakPolarHBondContact O-CB 3.42Å; H276-A279 PolarHBondContact O-N 3.46Å; A279-N283 WeakPolarHBondContact O-CB 3.27Å; A279-N283 PolarHBondContact O-N 2.95Å; A279-N283 PolarHBondContact O-ND2 3.44Å; A279-Y480 VanDerWaalsContact CA-OH 3.26Å; A279-Y480 WeakPolarHBondContact CA-OH 3.43Å; A279-Y480 WeakPolarHBondContact CB-OH 3.37Å |
| 280 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65 | -54.4 | 176.5 | -67.5 | 167.9 | 0 | 0 | 0 | 109.8 | F264 L272 H276 A277 F282 N283 F284 V318 L321 Y323 L515 | F264-I280 HydrophobicContact CD1-CG1 3.95Å; F264-I280 HydrophobicContact CD2-CG1 4.32Å; F264-I280 HydrophobicContact CE1-CD1 4.02Å; F264-I280 HydrophobicContact CE1-CG1 3.65Å; F264-I280 HydrophobicContact CE2-CG1 4.06Å; F264-I280 HydrophobicContact CG-CG1 4.29Å; F264-I280 HydrophobicContact CZ-CD1 4.15Å; F264-I280 HydrophobicContact CZ-CG1 3.72Å; L272-I280 HydrophobicContact CD1-CD1 4.25Å; H276-I280 WeakPolarHBondContact O-CG1 3.39Å; H276-I280 PolarHBondContact O-N 3.44Å; A277-I280 PolarHBondContact O-N 2.85Å; I280-F282 PolarHBondContact O-N 3.43Å; I280-N283 PolarHBondContact O-N 2.99Å; I280-F284 HydrophobicContact CB-CD2 4.38Å; I280-F284 HydrophobicContact CG2-CD2 3.77Å; I280-F284 HydrophobicContact CG2-CE2 4.3Å; I280-F284 WeakPolarHBondContact O-CB 3.4Å; I280-F284 WeakPolarHBondContact O-CD2 3.23Å; I280-F284 PolarHBondContact O-N 2.88Å; I280-V318 HydrophobicContact CD1-CG2 4.03Å; I280-V318 HydrophobicContact CG1-CG2 4.31Å; I280-L321 HydrophobicContact CB-CD1 4.21Å; I280-L321 HydrophobicContact CD1-CD1 3.89Å; I280-L321 HydrophobicContact CG2-CB 4.48Å; I280-L321 HydrophobicContact CG2-CD1 3.93Å; I280-Y323 HydrophobicContact CG2-CD2 3.55Å; I280-Y323 HydrophobicContact CG2-CE2 3.97Å; I280-Y323 HydrophobicContact CG2-CG 4.46Å; I280-L515 HydrophobicContact CD1-CD1 4.1Å |
| 281 | N | 92.8 | Very high | 92 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57 | -37.8 | 178.9 | -86.8 | -93.5 | 0 | 0 | 0 | 111.7 | L216 A277 G285 Y323 N529 C532 | L216-N281 VanDerWaalsContact CD2-OD1 3.23Å; L216-N281 WeakPolarHBondContact CD2-OD1 3.42Å; A277-N281 WeakPolarHBondContact O-CB 3.43Å; A277-N281 PolarHBondContact O-N 3.46Å; A277-N281 PolarHBondContact O-ND2 3.06Å; N281-G285 WeakPolarHBondContact O-CA 3.36Å; N281-G285 PolarHBondContact O-N 3.23Å; N281-Y323 PolarHBondContact OD1-OH 3.11Å; N281-N529 PolarHBondContact ND2-OD1 3.17Å; N281-N529 WeakPolarHBondContact OD1-CB 3.19Å; N281-N529 PolarHBondContact OD1-OD1 2.85Å; N281-N529 VanDerWaalsContact OD1-OD1 3.11Å; N281-C532 HydrophobicContact CB-CB 4.13Å |
| 282 | F | 90.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.022 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -74.8 | -49.3 | -179.2 | -163 | -134.2 | 0 | 0 | 0 | 112.2 | L220 L225 F227 K278 I280 Y286 L451 Y480 V537 | L220-F282 HydrophobicContact CD2-CD2 3.55Å; L220-F282 HydrophobicContact CD2-CE2 3.74Å; L225-F282 HydrophobicContact CD1-CE2 3.91Å; L225-F282 HydrophobicContact CD1-CZ 4.43Å; F227-F282 HydrophobicContact CE2-CE2 4.46Å; F227-F282 AromaticContact CE2-CZ 3.77Å; F227-F282 HydrophobicContact CE2-CZ 3.77Å; F227-F282 HydrophobicContact CZ-CE1 4.49Å; F227-F282 AromaticContact CZ-CZ 3.79Å; F227-F282 HydrophobicContact CZ-CZ 3.79Å; K278-F282 WeakPolarHBondContact O-CB 3.31Å; K278-F282 PolarHBondContact O-N 3.08Å; I280-F282 PolarHBondContact O-N 3.43Å; F282-Y286 WeakPolarHBondContact O-CB 3.33Å; F282-Y286 PolarHBondContact O-N 2.82Å; F282-L451 HydrophobicContact CD1-CB 3.83Å; F282-L451 HydrophobicContact CD1-CD1 3.54Å; F282-L451 HydrophobicContact CD1-CG 4.14Å; F282-L451 HydrophobicContact CE1-CB 3.88Å; F282-L451 HydrophobicContact CE1-CD1 3.58Å; F282-L451 HydrophobicContact CE1-CD2 3.84Å; F282-L451 HydrophobicContact CE1-CG 3.95Å; F282-L451 HydrophobicContact CG-CD1 4.06Å; F282-L451 HydrophobicContact CZ-CD1 4.09Å; F282-L451 HydrophobicContact CZ-CD2 4.32Å; F282-Y480 AromaticContact CD1-CD1 3.4Å; F282-Y480 HydrophobicContact CD1-CD1 3.4Å; F282-Y480 VanDerWaalsContact CD1-CD1 3.4Å; F282-Y480 AromaticContact CD1-CE1 3.65Å; F282-Y480 HydrophobicContact CD1-CE1 3.65Å; F282-Y480 AromaticContact CD1-CG 3.99Å; F282-Y480 HydrophobicContact CD1-CG 3.99Å; F282-Y480 AromaticContact CE1-CD1 3.57Å; F282-Y480 HydrophobicContact CE1-CD1 3.57Å; F282-Y480 HydrophobicContact CE1-CE1 4.24Å; F282-Y480 HydrophobicContact CE1-CG 4.11Å; F282-V537 HydrophobicContact CD2-CG1 4.23Å; F282-V537 HydrophobicContact CD2-CG2 3.6Å; F282-V537 HydrophobicContact CE1-CG1 4.13Å; F282-V537 HydrophobicContact CE2-CB 4.08Å; F282-V537 HydrophobicContact CE2-CG1 3.5Å; F282-V537 VanDerWaalsContact CE2-CG1 3.5Å; F282-V537 HydrophobicContact CE2-CG2 3.47Å; F282-V537 VanDerWaalsContact CE2-CG2 3.47Å; F282-V537 HydrophobicContact CZ-CB 4.48Å; F282-V537 HydrophobicContact CZ-CG1 3.43Å; F282-V537 VanDerWaalsContact CZ-CG1 3.43Å; F282-V537 HydrophobicContact CZ-CG2 4.28Å |
| 283 | N | 94.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.7 | -51 | -178.5 | -75.7 | -79.2 | 0 | 0 | 0 | 112.5 | T262 R263 F264 A279 I280 A287 L451 | T262-N283 PolarHBondContact OG1-O 3.07Å; R263-N283 VanDerWaalsContact O-CG 3.25Å; R263-N283 PolarHBondContact O-OD1 3.29Å; F264-N283 HydrophobicContact CB-CB 4.34Å; A279-N283 WeakPolarHBondContact O-CB 3.27Å; A279-N283 PolarHBondContact O-N 2.95Å; A279-N283 PolarHBondContact O-ND2 3.44Å; I280-N283 PolarHBondContact O-N 2.99Å; N283-A287 PolarHBondContact O-N 3.33Å; N283-L451 WeakPolarHBondContact OD1-CB 3.12Å |
| 284 | F | 95.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -75.2 | -40.9 | -179.8 | -70 | -85.1 | 0 | 0 | 0 | 111.9 | F264 I280 A287 K288 C294 L296 V318 Y323 P325 | F264-F284 HydrophobicContact CB-CD2 4.27Å; F264-F284 HydrophobicContact CB-CE2 3.49Å; F264-F284 VanDerWaalsContact CB-CE2 3.49Å; F264-F284 HydrophobicContact CB-CZ 4.1Å; F264-F284 AromaticContact CD1-CE2 3.99Å; F264-F284 HydrophobicContact CD1-CE2 3.99Å; F264-F284 HydrophobicContact CG-CE2 4.03Å; I280-F284 HydrophobicContact CB-CD2 4.38Å; I280-F284 HydrophobicContact CG2-CD2 3.77Å; I280-F284 HydrophobicContact CG2-CE2 4.3Å; I280-F284 WeakPolarHBondContact O-CB 3.4Å; I280-F284 WeakPolarHBondContact O-CD2 3.23Å; I280-F284 PolarHBondContact O-N 2.88Å; F284-A287 PolarHBondContact O-N 3.2Å; F284-K288 WeakPolarHBondContact O-CB 3.35Å; F284-K288 PolarHBondContact O-N 3.44Å; F284-C294 HydrophobicContact CB-CB 4.49Å; F284-C294 HydrophobicContact CD1-CB 3.43Å; F284-C294 VanDerWaalsContact CD1-CB 3.43Å; F284-C294 VanDerWaalsContact CD1-SG 3.51Å; F284-C294 HydrophobicContact CE1-CB 3.7Å; F284-C294 VanDerWaalsContact CE1-SG 3.51Å; F284-C294 HydrophobicContact CG-CB 4.03Å; F284-L296 HydrophobicContact CZ-CB 4.39Å; F284-V318 HydrophobicContact CD2-CG1 4.34Å; F284-V318 HydrophobicContact CE1-CG1 4.12Å; F284-V318 HydrophobicContact CE2-CG1 3.77Å; F284-V318 HydrophobicContact CE2-CG2 4.21Å; F284-V318 HydrophobicContact CZ-CG1 3.67Å; F284-Y323 HydrophobicContact CB-CD1 3.33Å; F284-Y323 HydrophobicContact CB-CD2 4.06Å; F284-Y323 HydrophobicContact CB-CE1 3.82Å; F284-Y323 HydrophobicContact CB-CE2 4.48Å; F284-Y323 HydrophobicContact CB-CG 3.44Å; F284-Y323 VanDerWaalsContact CB-CG 3.44Å; F284-Y323 HydrophobicContact CG-CD1 4.29Å; F284-Y323 AromaticContact CG-CG 3.99Å; F284-Y323 HydrophobicContact CG-CG 3.99Å; F284-P325 HydrophobicContact CE1-CB 4.38Å; F284-P325 HydrophobicContact CE1-CG 4.3Å; F284-P325 HydrophobicContact CZ-CG 4.39Å |
| 285 | G | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | N281 K288 A289 | N281-G285 WeakPolarHBondContact O-CA 3.36Å; N281-G285 PolarHBondContact O-N 3.23Å; G285-K288 PolarHBondContact O-N 3.38Å; G285-A289 WeakPolarHBondContact O-CB 3.48Å; G285-A289 PolarHBondContact O-N 3.32Å |
| 286 | Y | 91.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.5 | -176.3 | -100 | 0 | 0 | 0 | 112 | L220 L225 F227 I260 T262 F282 N290 H449 L451 | L220-Y286 WeakPolarHBondContact O-CD2 3.49Å; L220-Y286 WeakPolarHBondContact O-CE2 3.38Å; L225-Y286 HydrophobicContact CD1-CD2 4.02Å; L225-Y286 HydrophobicContact CD1-CE2 4.14Å; F227-Y286 HydrophobicContact CD2-CD2 4.24Å; F227-Y286 HydrophobicContact CD2-CE1 4.33Å; F227-Y286 AromaticContact CD2-CE2 3.56Å; F227-Y286 HydrophobicContact CD2-CE2 3.56Å; F227-Y286 AromaticContact CD2-CZ 3.62Å; F227-Y286 HydrophobicContact CE2-CD2 4.44Å; F227-Y286 HydrophobicContact CE2-CE2 4.18Å; I260-Y286 HydrophobicContact CD1-CE1 3.7Å; I260-Y286 HydrophobicContact CG2-CD1 3.92Å; I260-Y286 HydrophobicContact CG2-CE1 3.67Å; T262-Y286 HydrophobicContact CG2-CD1 3.85Å; F282-Y286 WeakPolarHBondContact O-CB 3.33Å; F282-Y286 PolarHBondContact O-N 2.82Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.15Å; Y286-N290 PolarHBondContact O-N 3.07Å; Y286-N290 PolarHBondContact O-ND2 3.34Å; Y286-H449 HydrophobicContact CD1-CB 4.45Å; Y286-H449 HydrophobicContact CE1-CB 4.13Å; Y286-H449 AromaticContact CE1-CD2 3.72Å; Y286-H449 AromaticContact CE1-CE1 3.93Å; Y286-H449 AromaticContact CE1-CG 3.59Å; Y286-H449 AromaticContact CE1-ND1 3.72Å; Y286-H449 AromaticContact CE1-NE2 3.96Å; Y286-H449 AromaticContact CZ-CD2 3.95Å; Y286-H449 AromaticContact CZ-NE2 3.95Å; Y286-H449 PolarHBondContact OH-NE2 3.34Å; Y286-L451 HydrophobicContact CG-CD1 4.46Å |
| 287 | A | 93.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.1 | -52.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N283 F284 A289 N290 D291 G292 C294 | N283-A287 PolarHBondContact O-N 3.33Å; F284-A287 PolarHBondContact O-N 3.2Å; A287-A289 VanDerWaalsContact C-N 3.32Å; A287-A289 PolarHBondContact O-N 3.29Å; A287-N290 CarbonylContact O-C 3.53Å; A287-N290 PolarHBondContact O-N 2.93Å; A287-N290 VanDerWaalsContact O-N 3.15Å; A287-D291 PolarHBondContact O-N 3.44Å; A287-G292 WeakPolarHBondContact O-CA 3.13Å; A287-G292 PolarHBondContact O-N 2.96Å; A287-C294 HydrophobicContact CB-CB 3.94Å |
| 288 | K | 91 | Very high | 93.4 | Very high | 111 Ų | 111 | 18.7 Ų | 18.7 | 48% | 0.483 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -60.9 | -37.7 | -178.9 | -162.5 | -175 | 180 | 172.2 | 0 | 112.8 | M217 F284 G285 N290 | M217-K288 HydrophobicContact CE-CB 3.84Å; M217-K288 HydrophobicContact CE-CD 3.77Å; M217-K288 HydrophobicContact CE-CG 3.56Å; M217-K288 HydrophobicContact SD-CD 4.43Å; F284-K288 WeakPolarHBondContact O-CB 3.35Å; F284-K288 PolarHBondContact O-N 3.44Å; G285-K288 PolarHBondContact O-N 3.38Å; K288-N290 PolarHBondContact O-N 2.95Å |
| 289 | A | 87.2 | Confident | 93.5 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 11% | 0.107 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.5 | -14.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M217 L220 G285 A287 | M217-A289 HydrophobicContact CE-CB 4.14Å; M217-A289 WeakPolarHBondContact O-CB 3.43Å; M217-A289 HydrophobicContact SD-CB 4.13Å; L220-A289 HydrophobicContact CB-CB 3.89Å; G285-A289 WeakPolarHBondContact O-CB 3.48Å; G285-A289 PolarHBondContact O-N 3.32Å; A287-A289 VanDerWaalsContact C-N 3.32Å; A287-A289 PolarHBondContact O-N 3.29Å |
| 290 | N | 88 | Confident | 93.6 | Very high | 37 Ų | 37 | 18.4 Ų | 18.4 | 20% | 0.198 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | 31.4 | -175.2 | -60 | -87.6 | 0 | 0 | 0 | 111.6 | L220 G222 I260 Y286 A287 K288 G292 | L220-N290 PolarHBondContact O-ND2 3.4Å; G222-N290 PolarHBondContact N-OD1 3.35Å; I260-N290 HydrophobicContact CD1-CB 3.43Å; I260-N290 VanDerWaalsContact CD1-CB 3.43Å; I260-N290 HydrophobicContact CG1-CB 4.13Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.15Å; Y286-N290 PolarHBondContact O-N 3.07Å; Y286-N290 PolarHBondContact O-ND2 3.34Å; A287-N290 CarbonylContact O-C 3.53Å; A287-N290 PolarHBondContact O-N 2.93Å; A287-N290 VanDerWaalsContact O-N 3.15Å; K288-N290 PolarHBondContact O-N 2.95Å; N290-G292 PolarHBondContact O-N 3.13Å; N290-G292 VanDerWaalsContact O-N 3.09Å |
| 291 | D | 87.1 | Confident | 93.4 | Very high | 142 Ų | 142 | 19 Ų | 19 | 76% | 0.759 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.6 | 175.8 | -52.7 | -50 | 0 | 0 | 0 | 113.8 | Q259 A287 | Q259-D291 PolarHBondContact NE2-O 2.89Å; A287-D291 PolarHBondContact O-N 3.44Å |
| 292 | G | 93 | Very high | 93.1 | Very high | 17 Ų | 17 | 21.3 Ų | 21.3 | 18% | 0.175 | 11% | 0.114 | C | C | . | . | trans | -105.2 | -177.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I260 A287 N290 | I260-G292 CarbonylContact O-C 3.53Å; I260-G292 WeakPolarHBondContact O-CA 3.5Å; A287-G292 WeakPolarHBondContact O-CA 3.13Å; A287-G292 PolarHBondContact O-N 2.96Å; N290-G292 PolarHBondContact O-N 3.13Å; N290-G292 VanDerWaalsContact O-N 3.09Å | ||
| 293 | I | 96.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 9% | 0.087 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 152.5 | 177 | 58.6 | 167.7 | 0 | 0 | 0 | 111.3 | I260 R261 T262 Y295 Y326 | I260-I293 PolarHBondContact O-N 3.49Å; R261-I293 WeakPolarHBondContact CA-O 3.25Å; R261-I293 HydrophobicContact CB-CG1 4.36Å; R261-I293 HydrophobicContact CG-CD1 4.04Å; R261-I293 HydrophobicContact CG-CG1 3.74Å; R261-I293 VanDerWaalsContact NH1-CD1 3.32Å; T262-I293 PolarHBondContact N-O 3.44Å; T262-I293 PolarHBondContact OG1-O 3.26Å; I293-Y295 HydrophobicContact CD1-CE2 3.91Å; I293-Y326 HydrophobicContact CB-CD1 4.43Å; I293-Y326 HydrophobicContact CB-CD2 4.13Å; I293-Y326 HydrophobicContact CB-CG 3.82Å; I293-Y326 HydrophobicContact CD1-CD1 3.67Å; I293-Y326 HydrophobicContact CD1-CD2 4.13Å; I293-Y326 HydrophobicContact CD1-CE1 3.85Å; I293-Y326 HydrophobicContact CD1-CE2 4.26Å; I293-Y326 HydrophobicContact CD1-CG 3.83Å; I293-Y326 HydrophobicContact CG1-CG 4.42Å; I293-Y326 HydrophobicContact CG2-CD2 3.65Å; I293-Y326 HydrophobicContact CG2-CE2 4.35Å; I293-Y326 HydrophobicContact CG2-CG 3.89Å |
| 294 | C | 98.4 | Very high | 92 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.034 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.2 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | T262 F284 A287 Y326 | T262-C294 WeakPolarHBondContact O-CA 3.47Å; T262-C294 VanDerWaalsContact OG1-CB 3.25Å; T262-C294 WeakPolarHBondContact OG1-CB 3.46Å; T262-C294 PolarHBondContact OG1-SG 3.47Å; F284-C294 HydrophobicContact CB-CB 4.49Å; F284-C294 HydrophobicContact CD1-CB 3.43Å; F284-C294 VanDerWaalsContact CD1-CB 3.43Å; F284-C294 VanDerWaalsContact CD1-SG 3.51Å; F284-C294 HydrophobicContact CE1-CB 3.7Å; F284-C294 VanDerWaalsContact CE1-SG 3.51Å; F284-C294 HydrophobicContact CG-CB 4.03Å; A287-C294 HydrophobicContact CB-CB 3.94Å; C294-Y326 PolarHBondContact O-N 3.25Å |
| 295 | Y | 98.4 | Very high | 90.7 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 139.4 | 173 | -73.7 | -93.2 | 0 | 0 | 0 | 110.8 | R261 T262 R263 F264 I293 Y326 E327 T329 I447 | R261-Y295 PolarHBondContact NH2-OH 2.76Å; T262-Y295 PolarHBondContact O-N 3.07Å; R263-Y295 CarbonylContact C-O 3.57Å; R263-Y295 WeakPolarHBondContact CA-O 3.44Å; F264-Y295 PolarHBondContact N-O 3Å; I293-Y295 HydrophobicContact CD1-CE2 3.91Å; Y295-Y326 HydrophobicContact CD1-CD1 4.47Å; Y295-Y326 AromaticContact CE1-CD1 3.92Å; Y295-Y326 HydrophobicContact CE1-CD1 3.92Å; Y295-Y326 HydrophobicContact CE1-CE1 4.02Å; Y295-Y326 HydrophobicContact CE2-CD1 4.21Å; Y295-Y326 HydrophobicContact CE2-CE1 4.49Å; Y295-Y326 AromaticContact CZ-CD1 3.76Å; Y295-Y326 AromaticContact CZ-CE1 3.73Å; Y295-Y326 WeakPolarHBondContact OH-CE1 3.38Å; Y295-E327 HydrophobicContact CD1-CB 3.98Å; Y295-E327 HydrophobicContact CE1-CB 3.77Å; Y295-E327 HydrophobicContact CE1-CG 4.39Å; Y295-E327 WeakPolarHBondContact CE1-OE2 3.38Å; Y295-T329 HydrophobicContact CD1-CG2 3.85Å; Y295-T329 HydrophobicContact CE1-CG2 4.07Å; Y295-I447 HydrophobicContact CD2-CD1 4.03Å |
| 296 | L | 98.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 100.1 | 159.1 | 174.8 | 60.9 | 0 | 0 | 0 | 107 | F264 P266 F284 Y298 I314 K315 V318 P325 E327 I328 T329 | F264-L296 HydrophobicContact CD1-CD1 3.75Å; F264-L296 HydrophobicContact CE1-CD1 4.36Å; P266-L296 HydrophobicContact CG-CD1 3.91Å; F284-L296 HydrophobicContact CZ-CB 4.39Å; L296-Y298 HydrophobicContact CD2-CE2 3.99Å; L296-Y298 HydrophobicContact CG-CE2 4.04Å; L296-I314 HydrophobicContact CD1-CG2 4.13Å; L296-K315 HydrophobicContact CD2-CB 4.45Å; L296-V318 HydrophobicContact CD1-CG2 4.48Å; L296-P325 HydrophobicContact CB-CB 3.73Å; L296-P325 HydrophobicContact CB-CG 3.7Å; L296-P325 HydrophobicContact CD2-CG 3.93Å; L296-P325 HydrophobicContact CG-CG 4.47Å; L296-E327 PolarHBondContact N-O 2.98Å; L296-E327 VanDerWaalsContact N-O 3.1Å; L296-I328 HydrophobicContact CB-CG1 4.38Å; L296-I328 HydrophobicContact CD2-CD1 4.45Å; L296-I328 HydrophobicContact CD2-CG1 4.33Å; L296-I328 WeakPolarHBondContact O-CA 3.43Å; L296-T329 PolarHBondContact O-N 3.1Å |
| 297 | R | 97.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 104.7 | -175.5 | -175.4 | 172.5 | 74.4 | -150.2 | 3.7 | 110.9 | F264 P265 D299 T329 H438 C441 D442 E445 | F264-R297 PolarHBondContact O-N 3.39Å; F264-R297 VanDerWaalsContact O-N 3.08Å; P265-R297 CarbonylContact C-O 3.55Å; P265-R297 WeakPolarHBondContact CA-O 3.36Å; P265-R297 HydrophobicContact CB-CB 4.37Å; R297-D299 PolarHBondContact O-N 3.27Å; R297-T329 CarbonylContact C-O 3.51Å; R297-T329 VanDerWaalsContact CA-O 3.3Å; R297-T329 WeakPolarHBondContact CA-O 3.47Å; R297-T329 WeakPolarHBondContact CB-OG1 3.4Å; R297-T329 WeakPolarHBondContact CG-OG1 3.42Å; R297-H438 PolarHBondContact NH2-O 3.11Å; R297-C441 VanDerWaalsContact CZ-CB 3.48Å; R297-D442 IonicContact CZ-OD1 3.68Å; R297-D442 IonicContact NH1-OD1 4Å; R297-D442 PolarHBondContact NH1-OD1 2.97Å; R297-D442 IonicContact NH2-OD1 3.57Å; R297-D442 PolarHBondContact NH2-OD1 2.63Å; R297-E445 WeakPolarHBondContact CD-OE1 3.49Å; R297-E445 WeakPolarHBondContact CD-OE2 3.42Å; R297-E445 IonicContact CZ-OE2 3.86Å; R297-E445 IonicContact NE-OE2 2.79Å; R297-E445 IonicContact NH1-OE2 2.89Å; R297-E445 PolarHBondContact NH1-OE2 2.8Å |
| 298 | Y | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 126.6 | 176.7 | -70.5 | -84.4 | 0 | 0 | 0 | 110.7 | P268 L296 D300 F311 I314 I328 T329 H330 A331 | P268-Y298 HydrophobicContact CB-CD1 3.74Å; P268-Y298 HydrophobicContact CB-CE1 4.47Å; P268-Y298 HydrophobicContact CB-CG 4.41Å; L296-Y298 HydrophobicContact CD2-CE2 3.99Å; L296-Y298 HydrophobicContact CG-CE2 4.04Å; Y298-D300 VanDerWaalsContact C-N 3.3Å; Y298-D300 PolarHBondContact O-N 3.33Å; Y298-D300 VanDerWaalsContact O-N 3.14Å; Y298-F311 AromaticContact CD1-CD2 3.82Å; Y298-F311 HydrophobicContact CD1-CD2 3.82Å; Y298-F311 AromaticContact CD1-CE2 3.92Å; Y298-F311 HydrophobicContact CD1-CE2 3.92Å; Y298-F311 HydrophobicContact CD2-CD2 4.03Å; Y298-F311 AromaticContact CD2-CE2 3.27Å; Y298-F311 HydrophobicContact CD2-CE2 3.27Å; Y298-F311 AromaticContact CD2-CZ 3.83Å; Y298-F311 HydrophobicContact CD2-CZ 3.83Å; Y298-F311 AromaticContact CE1-CD2 3.5Å; Y298-F311 HydrophobicContact CE1-CD2 3.5Å; Y298-F311 VanDerWaalsContact CE1-CD2 3.5Å; Y298-F311 AromaticContact CE1-CE2 3.74Å; Y298-F311 HydrophobicContact CE1-CE2 3.74Å; Y298-F311 HydrophobicContact CE1-CG 4.11Å; Y298-F311 AromaticContact CE2-CD2 3.77Å; Y298-F311 HydrophobicContact CE2-CD2 3.77Å; Y298-F311 HydrophobicContact CE2-CE1 4.13Å; Y298-F311 AromaticContact CE2-CE2 3.09Å; Y298-F311 HydrophobicContact CE2-CE2 3.09Å; Y298-F311 AromaticContact CE2-CZ 3.3Å; Y298-F311 HydrophobicContact CE2-CZ 3.3Å; Y298-F311 HydrophobicContact CG-CD2 4.04Å; Y298-F311 AromaticContact CG-CE2 3.67Å; Y298-F311 HydrophobicContact CG-CE2 3.67Å; Y298-F311 AromaticContact CZ-CD2 3.45Å; Y298-F311 VanDerWaalsContact CZ-CD2 3.45Å; Y298-F311 AromaticContact CZ-CE2 3.31Å; Y298-F311 AromaticContact CZ-CG 3.94Å; Y298-F311 AromaticContact CZ-CZ 3.66Å; Y298-F311 PolarHBondContact OH-O 3.47Å; Y298-I314 HydrophobicContact CD1-CD1 4.47Å; Y298-I314 HydrophobicContact CE1-CB 4.06Å; Y298-I314 HydrophobicContact CE1-CD1 3.94Å; Y298-I314 HydrophobicContact CE1-CG2 3.8Å; Y298-I328 HydrophobicContact CD2-CG2 3.83Å; Y298-I328 HydrophobicContact CE2-CG2 3.57Å; Y298-T329 PolarHBondContact N-O 2.94Å; Y298-H330 AromaticContact CD2-NE2 3.93Å; Y298-A331 PolarHBondContact O-N 3.28Å |
| 299 | D | 94 | Very high | 87.3 | Confident | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | trans | -83.6 | 77.8 | 171.7 | 178.3 | 18.1 | 0 | 0 | 0 | 109.9 | P266 E267 P268 R297 T301 Y434 H438 | P266-D299 PolarHBondContact O-N 2.99Å; E267-D299 HydrophobicContact CG-CB 4.46Å; P268-D299 WeakPolarHBondContact CD-O 3.43Å; R297-D299 PolarHBondContact O-N 3.27Å; D299-T301 VanDerWaalsContact C-N 3.27Å; D299-T301 WeakPolarHBondContact OD1-CB 3.26Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.44Å; D299-T301 PolarHBondContact OD1-N 2.96Å; D299-T301 PolarHBondContact OD1-OG1 3.09Å; D299-Y434 VanDerWaalsContact OD2-CD2 3.23Å; D299-Y434 WeakPolarHBondContact OD2-CD2 3.45Å; D299-H438 IonicContact OD1-NE2 2.71Å; D299-H438 PolarHBondContact OD1-NE2 2.96Å; D299-H438 IonicContact OD2-CE1 2.66Å; D299-H438 IonicContact OD2-NE2 2.77Å; D299-H438 PolarHBondContact OD2-NE2 3.41Å | ||
| 300 | D | 92.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -91.9 | 26.5 | 174.4 | 62.8 | -17.2 | 0 | 0 | 0 | 112 | P268 Y298 N302 H330 A331 S332 H421 H422 R423 | P268-D300 HydrophobicContact CG-CB 4.05Å; Y298-D300 VanDerWaalsContact C-N 3.3Å; Y298-D300 PolarHBondContact O-N 3.33Å; Y298-D300 VanDerWaalsContact O-N 3.14Å; D300-N302 PolarHBondContact O-N 3.48Å; D300-N302 VanDerWaalsContact O-N 3.13Å; D300-H330 WeakPolarHBondContact OD2-CB 3.49Å; D300-H330 IonicContact OD2-CD2 3.71Å; D300-H330 IonicContact OD2-CG 3.56Å; D300-A331 WeakPolarHBondContact OD1-CA 3.19Å; D300-A331 WeakPolarHBondContact OD1-CB 3.23Å; D300-A331 PolarHBondContact OD1-N 3.09Å; D300-S332 PolarHBondContact OD1-N 2.96Å; D300-S332 WeakPolarHBondContact OD2-CB 3.14Å; D300-S332 PolarHBondContact OD2-OG 2.74Å; D300-H421 PolarHBondContact O-NE2 3.01Å; D300-H421 IonicContact OD2-CE1 2.76Å; D300-H421 PolarHBondContact OD2-CE1 2.81Å; D300-H421 IonicContact OD2-NE2 3.44Å; D300-H422 WeakPolarHBondContact CB-NE2 3.38Å; D300-H422 IonicContact OD2-CE1 3.37Å; D300-H422 IonicContact OD2-NE2 3.89Å; D300-H422 PolarHBondContact OD2-NE2 2.85Å; D300-R423 WeakPolarHBondContact OD2-CD 3.07Å | ||
| 301 | T | 91.1 | Very high | 87 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | trans | -61.1 | -25.5 | 179.6 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | D299 A331 T437 | D299-T301 VanDerWaalsContact C-N 3.27Å; D299-T301 WeakPolarHBondContact OD1-CB 3.26Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.44Å; D299-T301 PolarHBondContact OD1-N 2.96Å; D299-T301 PolarHBondContact OD1-OG1 3.09Å; T301-A331 HydrophobicContact CG2-CB 3.69Å; T301-T437 HydrophobicContact CG2-CG2 3.39Å; T301-T437 WeakPolarHBondContact CG2-OG1 3.23Å | ||
| 302 | N | 88.1 | Confident | 87 | Confident | 51 Ų | 51 | 42.7 Ų | 42.7 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -97.7 | 118 | -178.3 | -173.2 | 16.6 | 0 | 0 | 0 | 110.7 | D300 E304 K417 | D300-N302 PolarHBondContact O-N 3.48Å; D300-N302 VanDerWaalsContact O-N 3.13Å; N302-E304 HydrophobicContact CB-CG 4.44Å; N302-E304 PolarHBondContact ND2-OE1 3.06Å; N302-E304 PolarHBondContact O-N 3.11Å; N302-K417 PolarHBondContact OD1-NZ 2.96Å |
| 303 | P | 84.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | trans | -69.2 | 100 | 174.4 | 31 | -37.3 | 0 | 0 | 0 | 109.9 | K417 T419 H421 Y431 | P303-K417 HydrophobicContact CG-CB 3.83Å; P303-K417 HydrophobicContact CG-CD 3.72Å; P303-K417 HydrophobicContact CG-CG 4.41Å; P303-T419 HydrophobicContact CB-CG2 4.46Å; P303-T419 VanDerWaalsContact CB-O 3.25Å; P303-T419 WeakPolarHBondContact CB-O 3.37Å; P303-T419 WeakPolarHBondContact O-CG2 3.38Å; P303-H421 HydrophobicContact CB-CB 4.23Å; P303-Y431 HydrophobicContact CB-CE1 4.19Å; P303-Y431 HydrophobicContact CB-CE2 4.19Å; P303-Y431 HydrophobicContact CG-CD1 4.34Å; P303-Y431 HydrophobicContact CG-CD2 3.8Å; P303-Y431 HydrophobicContact CG-CE1 4.14Å; P303-Y431 HydrophobicContact CG-CE2 3.56Å; P303-Y431 HydrophobicContact CG-CG 4.17Å | ||
| 304 | E | 76.9 | Confident | 86.8 | Confident | 70 Ų | 70 | 41.8 Ų | 41.8 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | trans | -120.5 | 161.5 | 173 | -63.1 | -165 | 171.1 | 0 | 0 | 110.8 | N269 N302 E306 | N269-E304 PolarHBondContact ND2-OE2 3.18Å; N302-E304 HydrophobicContact CB-CG 4.44Å; N302-E304 PolarHBondContact ND2-OE1 3.06Å; N302-E304 PolarHBondContact O-N 3.11Å; E304-E306 VanDerWaalsContact C-N 3.26Å; E304-E306 PolarHBondContact O-N 2.73Å | ||
| 305 | K | 68.3 | Low | 86.6 | Confident | 200 Ų | 200 | 45 Ų | 45 | 87% | 0.87 | 21% | 0.213 | S | C | * | . | trans | -69.8 | 91.8 | 166.1 | -73.8 | -174 | 177.8 | -178 | 0 | 107.8 | ||||
| 306 | E | 65.9 | Low | 86.4 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | trans | -71.2 | 140.7 | 175.6 | -73.2 | -173.1 | -168 | 0 | 0 | 111.3 | P268 E304 H422 | P268-E306 VanDerWaalsContact CG-CD 3.49Å; P268-E306 HydrophobicContact CG-CG 4.4Å; P268-E306 WeakPolarHBondContact CG-OE1 3.43Å; E304-E306 VanDerWaalsContact C-N 3.26Å; E304-E306 PolarHBondContact O-N 2.73Å; E306-H422 HydrophobicContact CB-CB 4.23Å; E306-H422 HydrophobicContact CG-CB 4.31Å; E306-H422 IonicContact OE1-CD2 3.93Å; E306-H422 PolarHBondContact OE1-CD2 2.87Å; E306-H422 IonicContact OE1-CE1 2.67Å; E306-H422 IonicContact OE1-CG 3.05Å; E306-H422 IonicContact OE1-ND1 2.88Å; E306-H422 IonicContact OE1-NE2 3.65Å; E306-H422 PolarHBondContact OE1-NE2 2.69Å; E306-H422 IonicContact OE2-CD2 3.59Å; E306-H422 IonicContact OE2-CE1 2.77Å; E306-H422 PolarHBondContact OE2-CE1 2.8Å; E306-H422 IonicContact OE2-CG 3.93Å; E306-H422 VanDerWaalsContact OE2-CG 3.32Å; E306-H422 IonicContact OE2-ND1 3.37Å; E306-H422 PolarHBondContact OE2-ND1 3.39Å; E306-H422 IonicContact OE2-NE2 3.47Å | ||
| 307 | E | 70.2 | Confident | 86.4 | Confident | 91 Ų | 91 | 48 Ų | 48 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | trans | -104.7 | 119.1 | 168.7 | -59.6 | -179.8 | -121.2 | 0 | 0 | 107.8 | K309 Y310 | E307-K309 HydrophobicContact CB-CD 4.23Å; E307-K309 HydrophobicContact CB-CG 3.94Å; E307-K309 PolarHBondContact O-N 2.92Å; E307-K309 IonicContact OE1-NZ 3.94Å; E307-K309 WeakPolarHBondContact OE2-CD 3.35Å; E307-K309 WeakPolarHBondContact OE2-CE 3.46Å; E307-K309 IonicContact OE2-NZ 2.82Å; E307-K309 PolarHBondContact OE2-NZ 2.81Å; E307-Y310 HydrophobicContact CB-CD2 3.82Å; E307-Y310 HydrophobicContact CB-CE2 3.96Å; E307-Y310 HydrophobicContact CG-CE2 4.27Å; E307-Y310 PolarHBondContact O-N 3.18Å | ||
| 308 | E | 79 | Confident | 86.3 | Confident | 158 Ų | 158 | 48 Ų | 48 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -50.5 | -29 | -178.1 | -173 | 174.4 | -173.5 | 0 | 0 | 113 | Y310 F311 T312 | E308-Y310 VanDerWaalsContact C-N 3.25Å; E308-Y310 PolarHBondContact O-N 2.77Å; E308-F311 WeakPolarHBondContact O-CB 3.37Å; E308-F311 PolarHBondContact O-N 3.04Å; E308-F311 VanDerWaalsContact O-N 3.15Å; E308-T312 HydrophobicContact CG-CG2 4.39Å; E308-T312 PolarHBondContact O-N 2.9Å; E308-T312 PolarHBondContact O-OG1 2.87Å |
| 309 | K | 82.4 | Confident | 86.4 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.9 | -35 | 176.2 | 77.5 | -172.1 | -168.8 | -165.9 | 0 | 114 | E307 T312 A313 | E307-K309 HydrophobicContact CB-CD 4.23Å; E307-K309 HydrophobicContact CB-CG 3.94Å; E307-K309 PolarHBondContact O-N 2.92Å; E307-K309 IonicContact OE1-NZ 3.94Å; E307-K309 WeakPolarHBondContact OE2-CD 3.35Å; E307-K309 WeakPolarHBondContact OE2-CE 3.46Å; E307-K309 IonicContact OE2-NZ 2.82Å; E307-K309 PolarHBondContact OE2-NZ 2.81Å; K309-T312 PolarHBondContact O-OG1 3.33Å; K309-T312 VanDerWaalsContact O-OG1 3.11Å; K309-A313 WeakPolarHBondContact O-CB 3.4Å; K309-A313 PolarHBondContact O-N 3.45Å; K309-A313 VanDerWaalsContact O-N 3.09Å |
| 310 | Y | 83.7 | Confident | 86.5 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.7 | -39.3 | 180 | -66.3 | -60.2 | 0 | 0 | 0 | 110.9 | P268 I271 E307 E308 A313 I314 | P268-Y310 WeakPolarHBondContact O-CB 3.2Å; I271-Y310 HydrophobicContact CD1-CE1 4.28Å; I271-Y310 HydrophobicContact CG1-CD1 4.23Å; I271-Y310 HydrophobicContact CG1-CE1 3.73Å; E307-Y310 HydrophobicContact CB-CD2 3.82Å; E307-Y310 HydrophobicContact CB-CE2 3.96Å; E307-Y310 HydrophobicContact CG-CE2 4.27Å; E307-Y310 PolarHBondContact O-N 3.18Å; E308-Y310 VanDerWaalsContact C-N 3.25Å; E308-Y310 PolarHBondContact O-N 2.77Å; Y310-A313 PolarHBondContact O-N 3.08Å; Y310-I314 WeakPolarHBondContact O-CD1 3.44Å; Y310-I314 VanDerWaalsContact O-CG1 3.3Å; Y310-I314 WeakPolarHBondContact O-CG1 3.33Å; Y310-I314 PolarHBondContact O-N 3.42Å |
| 311 | F | 84.4 | Confident | 86.7 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 175.7 | -174.7 | -86.8 | 0 | 0 | 0 | 111.3 | P268 Y298 E308 I314 K315 I328 H330 | P268-F311 HydrophobicContact CB-CD2 4.45Å; Y298-F311 AromaticContact CD1-CD2 3.82Å; Y298-F311 HydrophobicContact CD1-CD2 3.82Å; Y298-F311 AromaticContact CD1-CE2 3.92Å; Y298-F311 HydrophobicContact CD1-CE2 3.92Å; Y298-F311 HydrophobicContact CD2-CD2 4.03Å; Y298-F311 AromaticContact CD2-CE2 3.27Å; Y298-F311 HydrophobicContact CD2-CE2 3.27Å; Y298-F311 AromaticContact CD2-CZ 3.83Å; Y298-F311 HydrophobicContact CD2-CZ 3.83Å; Y298-F311 AromaticContact CE1-CD2 3.5Å; Y298-F311 HydrophobicContact CE1-CD2 3.5Å; Y298-F311 VanDerWaalsContact CE1-CD2 3.5Å; Y298-F311 AromaticContact CE1-CE2 3.74Å; Y298-F311 HydrophobicContact CE1-CE2 3.74Å; Y298-F311 HydrophobicContact CE1-CG 4.11Å; Y298-F311 AromaticContact CE2-CD2 3.77Å; Y298-F311 HydrophobicContact CE2-CD2 3.77Å; Y298-F311 HydrophobicContact CE2-CE1 4.13Å; Y298-F311 AromaticContact CE2-CE2 3.09Å; Y298-F311 HydrophobicContact CE2-CE2 3.09Å; Y298-F311 AromaticContact CE2-CZ 3.3Å; Y298-F311 HydrophobicContact CE2-CZ 3.3Å; Y298-F311 HydrophobicContact CG-CD2 4.04Å; Y298-F311 AromaticContact CG-CE2 3.67Å; Y298-F311 HydrophobicContact CG-CE2 3.67Å; Y298-F311 AromaticContact CZ-CD2 3.45Å; Y298-F311 VanDerWaalsContact CZ-CD2 3.45Å; Y298-F311 AromaticContact CZ-CE2 3.31Å; Y298-F311 AromaticContact CZ-CG 3.94Å; Y298-F311 AromaticContact CZ-CZ 3.66Å; Y298-F311 PolarHBondContact OH-O 3.47Å; E308-F311 WeakPolarHBondContact O-CB 3.37Å; E308-F311 PolarHBondContact O-N 3.04Å; E308-F311 VanDerWaalsContact O-N 3.15Å; F311-I314 PolarHBondContact O-N 3.35Å; F311-K315 PolarHBondContact O-N 2.83Å; F311-I328 HydrophobicContact CZ-CG2 4.46Å; F311-H330 AromaticContact CE2-NE2 3.42Å; F311-H330 WeakPolarHBondContact CE2-NE2 3.3Å; F311-H330 AromaticContact CZ-NE2 3.84Å |
| 312 | T | 87.9 | Confident | 86.8 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | E308 K309 I314 K315 D316 | E308-T312 HydrophobicContact CG-CG2 4.39Å; E308-T312 PolarHBondContact O-N 2.9Å; E308-T312 PolarHBondContact O-OG1 2.87Å; K309-T312 PolarHBondContact O-OG1 3.33Å; K309-T312 VanDerWaalsContact O-OG1 3.11Å; T312-I314 VanDerWaalsContact C-N 3.33Å; T312-I314 PolarHBondContact O-N 3.44Å; T312-K315 PolarHBondContact O-N 2.96Å; T312-D316 WeakPolarHBondContact O-CB 3.38Å; T312-D316 PolarHBondContact O-N 3.36Å |
| 313 | A | 91.1 | Very high | 87.2 | Confident | 13 Ų | 13 | 54 Ų | 54 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K309 Y310 D316 M317 W507 | K309-A313 WeakPolarHBondContact O-CB 3.4Å; K309-A313 PolarHBondContact O-N 3.45Å; K309-A313 VanDerWaalsContact O-N 3.09Å; Y310-A313 PolarHBondContact O-N 3.08Å; A313-D316 PolarHBondContact O-N 3.07Å; A313-M317 WeakPolarHBondContact O-CB 3.47Å; A313-M317 VanDerWaalsContact O-CG 3.24Å; A313-M317 WeakPolarHBondContact O-CG 3.4Å; A313-M317 PolarHBondContact O-N 3.5Å; A313-W507 HydrophobicContact CB-CH2 3.68Å; A313-W507 HydrophobicContact CB-CZ2 4.47Å; A313-W507 HydrophobicContact CB-CZ3 4.46Å |
| 314 | I | 94.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -50.4 | 176.6 | -74.9 | 162.5 | 0 | 0 | 0 | 110.5 | P266 E267 L272 L296 Y298 Y310 F311 T312 M317 V318 | P266-I314 HydrophobicContact CB-CD1 4.3Å; P266-I314 HydrophobicContact CB-CG2 4.41Å; P266-I314 HydrophobicContact CG-CD1 4.38Å; P266-I314 HydrophobicContact CG-CG2 3.64Å; E267-I314 VanDerWaalsContact O-CD1 3.28Å; E267-I314 WeakPolarHBondContact O-CD1 3.47Å; L272-I314 HydrophobicContact CD1-CB 4.19Å; L272-I314 HydrophobicContact CD1-CG1 3.98Å; L272-I314 HydrophobicContact CD1-CG2 4.21Å; L272-I314 HydrophobicContact CD2-CG1 4.27Å; L272-I314 HydrophobicContact CG-CG1 3.88Å; L296-I314 HydrophobicContact CD1-CG2 4.13Å; Y298-I314 HydrophobicContact CD1-CD1 4.47Å; Y298-I314 HydrophobicContact CE1-CB 4.06Å; Y298-I314 HydrophobicContact CE1-CD1 3.94Å; Y298-I314 HydrophobicContact CE1-CG2 3.8Å; Y310-I314 WeakPolarHBondContact O-CD1 3.44Å; Y310-I314 VanDerWaalsContact O-CG1 3.3Å; Y310-I314 WeakPolarHBondContact O-CG1 3.33Å; Y310-I314 PolarHBondContact O-N 3.42Å; F311-I314 PolarHBondContact O-N 3.35Å; T312-I314 VanDerWaalsContact C-N 3.33Å; T312-I314 PolarHBondContact O-N 3.44Å; I314-M317 PolarHBondContact O-N 3.37Å; I314-V318 WeakPolarHBondContact O-CG2 3.49Å; I314-V318 PolarHBondContact O-N 3.39Å; I314-V318 VanDerWaalsContact O-N 3.1Å |
| 315 | K | 94.4 | Very high | 88.6 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 32% | 0.317 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 178.9 | -177 | -173.2 | 168.5 | -164.5 | 0 | 110.9 | L296 F311 T312 M317 V318 E319 I328 | L296-K315 HydrophobicContact CD2-CB 4.45Å; F311-K315 PolarHBondContact O-N 2.83Å; T312-K315 PolarHBondContact O-N 2.96Å; K315-M317 PolarHBondContact O-N 3.46Å; K315-V318 PolarHBondContact O-N 3.24Å; K315-V318 VanDerWaalsContact O-N 3.11Å; K315-E319 WeakPolarHBondContact CE-OE1 2.97Å; K315-E319 IonicContact NZ-OE1 3.58Å; K315-E319 PolarHBondContact O-N 2.75Å; K315-I328 HydrophobicContact CD-CD1 4.06Å |
| 316 | D | 95 | Very high | 89.9 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.1 | -36.2 | 178.9 | -70.5 | -9.8 | 0 | 0 | 0 | 111.9 | T312 A313 W320 | T312-D316 WeakPolarHBondContact O-CB 3.38Å; T312-D316 PolarHBondContact O-N 3.36Å; A313-D316 PolarHBondContact O-N 3.07Å; D316-W320 WeakPolarHBondContact O-CB 3.4Å; D316-W320 PolarHBondContact O-N 3.22Å |
| 317 | M | 96.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74 | -35.8 | 177.6 | -71.2 | -55.1 | 97.9 | 0 | 0 | 112.9 | L272 A313 I314 K315 W320 L321 L515 | L272-M317 HydrophobicContact CD1-CB 3.9Å; L272-M317 HydrophobicContact CD1-CG 4.42Å; A313-M317 WeakPolarHBondContact O-CB 3.47Å; A313-M317 VanDerWaalsContact O-CG 3.24Å; A313-M317 WeakPolarHBondContact O-CG 3.4Å; A313-M317 PolarHBondContact O-N 3.5Å; I314-M317 PolarHBondContact O-N 3.37Å; K315-M317 PolarHBondContact O-N 3.46Å; M317-W320 HydrophobicContact CE-CB 4.42Å; M317-W320 HydrophobicContact SD-CE3 3.82Å; M317-W320 HydrophobicContact SD-CZ3 4.26Å; M317-L321 WeakPolarHBondContact O-CB 3.45Å; M317-L321 VanDerWaalsContact O-CG 3.32Å; M317-L321 WeakPolarHBondContact O-CG 3.09Å; M317-L321 PolarHBondContact O-N 2.89Å; M317-L321 VanDerWaalsContact O-N 3.08Å; M317-L515 HydrophobicContact CB-CB 4.39Å; M317-L515 HydrophobicContact CB-CD1 4.11Å; M317-L515 HydrophobicContact CG-CB 3.79Å; M317-L515 HydrophobicContact CG-CD1 4.39Å; M317-L515 VanDerWaalsContact SD-C 3.6Å; M317-L515 HydrophobicContact SD-CB 3.58Å; M317-L515 VanDerWaalsContact SD-CB 3.58Å |
| 318 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -48 | 172.4 | 173 | 0 | 0 | 0 | 0 | 110 | F264 I280 F284 L296 I314 K315 L321 Y323 P325 | F264-V318 HydrophobicContact CD1-CG2 4.17Å; F264-V318 HydrophobicContact CE1-CG2 4.21Å; I280-V318 HydrophobicContact CD1-CG2 4.03Å; I280-V318 HydrophobicContact CG1-CG2 4.31Å; F284-V318 HydrophobicContact CD2-CG1 4.34Å; F284-V318 HydrophobicContact CE1-CG1 4.12Å; F284-V318 HydrophobicContact CE2-CG1 3.77Å; F284-V318 HydrophobicContact CE2-CG2 4.21Å; F284-V318 HydrophobicContact CZ-CG1 3.67Å; L296-V318 HydrophobicContact CD1-CG2 4.48Å; I314-V318 WeakPolarHBondContact O-CG2 3.49Å; I314-V318 PolarHBondContact O-N 3.39Å; I314-V318 VanDerWaalsContact O-N 3.1Å; K315-V318 PolarHBondContact O-N 3.24Å; K315-V318 VanDerWaalsContact O-N 3.11Å; V318-L321 PolarHBondContact O-N 2.86Å; V318-Y323 CarbonylContact C-O 3.48Å; V318-Y323 PolarHBondContact O-N 2.87Å; V318-P325 HydrophobicContact CG1-CG 4.18Å |
| 319 | E | 96.4 | Very high | 93.4 | Very high | 89 Ų | 89 | 48 Ų | 48 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 178.4 | -69.8 | -177 | 169 | 0 | 0 | 112.2 | K315 L321 G322 Y323 | K315-E319 WeakPolarHBondContact CE-OE1 2.97Å; K315-E319 IonicContact NZ-OE1 3.58Å; K315-E319 PolarHBondContact O-N 2.75Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 2.73Å; E319-G322 WeakPolarHBondContact O-CA 3.45Å; E319-G322 PolarHBondContact O-N 2.73Å; E319-Y323 VanDerWaalsContact CA-O 3.31Å; E319-Y323 WeakPolarHBondContact CA-O 3.17Å |
| 320 | W | 96.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -36.5 | 177.2 | 173.8 | 65.8 | 0 | 0 | 0 | 112.8 | D316 M317 G322 R519 F523 S525 I528 | D316-W320 WeakPolarHBondContact O-CB 3.4Å; D316-W320 PolarHBondContact O-N 3.22Å; M317-W320 HydrophobicContact CE-CB 4.42Å; M317-W320 HydrophobicContact SD-CE3 3.82Å; M317-W320 HydrophobicContact SD-CZ3 4.26Å; W320-G322 PolarHBondContact O-N 2.77Å; W320-R519 HydrophobicContact CD2-CB 4.32Å; W320-R519 HydrophobicContact CD2-CG 4.27Å; W320-R519 HydrophobicContact CH2-CB 3.8Å; W320-R519 HydrophobicContact CZ2-CB 3.62Å; W320-R519 HydrophobicContact CZ2-CG 3.88Å; W320-R519 HydrophobicContact CZ3-CB 4.27Å; W320-F523 VanDerWaalsContact CZ2-O 3.3Å; W320-F523 WeakPolarHBondContact CZ2-O 3.43Å; W320-S525 WeakPolarHBondContact O-CB 3.25Å; W320-S525 PolarHBondContact O-OG 2.96Å; W320-S525 VanDerWaalsContact O-OG 3.07Å; W320-I528 HydrophobicContact CH2-CD1 3.36Å; W320-I528 HydrophobicContact CZ2-CD1 4.5Å; W320-I528 HydrophobicContact CZ3-CD1 3.63Å |
| 321 | L | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 0.3 | 173.1 | -68.8 | 177.6 | 0 | 0 | 0 | 113.6 | A277 I280 M317 V318 E319 Y323 L515 I528 N529 | A277-L321 HydrophobicContact CB-CD1 4.43Å; I280-L321 HydrophobicContact CB-CD1 4.21Å; I280-L321 HydrophobicContact CD1-CD1 3.89Å; I280-L321 HydrophobicContact CG2-CB 4.48Å; I280-L321 HydrophobicContact CG2-CD1 3.93Å; M317-L321 WeakPolarHBondContact O-CB 3.45Å; M317-L321 VanDerWaalsContact O-CG 3.32Å; M317-L321 WeakPolarHBondContact O-CG 3.09Å; M317-L321 PolarHBondContact O-N 2.89Å; M317-L321 VanDerWaalsContact O-N 3.08Å; V318-L321 PolarHBondContact O-N 2.86Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 2.73Å; L321-Y323 HydrophobicContact CB-CD2 4.03Å; L321-Y323 HydrophobicContact CB-CE2 4.33Å; L321-L515 HydrophobicContact CD1-CD1 4.19Å; L321-I528 HydrophobicContact CD2-CB 4.06Å; L321-I528 HydrophobicContact CD2-CD1 4.45Å; L321-I528 HydrophobicContact CD2-CG2 3.9Å; L321-N529 PolarHBondContact O-ND2 2.64Å |
| 322 | G | 94.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 19.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E319 W320 | E319-G322 WeakPolarHBondContact O-CA 3.45Å; E319-G322 PolarHBondContact O-N 2.73Å; W320-G322 PolarHBondContact O-N 2.77Å |
| 323 | Y | 95.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 43 Ų | 43 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | trans | -112.6 | 144.1 | 178.3 | -60.8 | -69.6 | 0 | 0 | 0 | 111.3 | I280 N281 F284 V318 E319 L321 | I280-Y323 HydrophobicContact CG2-CD2 3.55Å; I280-Y323 HydrophobicContact CG2-CE2 3.97Å; I280-Y323 HydrophobicContact CG2-CG 4.46Å; N281-Y323 PolarHBondContact OD1-OH 3.11Å; F284-Y323 HydrophobicContact CB-CD1 3.33Å; F284-Y323 HydrophobicContact CB-CD2 4.06Å; F284-Y323 HydrophobicContact CB-CE1 3.82Å; F284-Y323 HydrophobicContact CB-CE2 4.48Å; F284-Y323 HydrophobicContact CB-CG 3.44Å; F284-Y323 VanDerWaalsContact CB-CG 3.44Å; F284-Y323 HydrophobicContact CG-CD1 4.29Å; F284-Y323 AromaticContact CG-CG 3.99Å; F284-Y323 HydrophobicContact CG-CG 3.99Å; V318-Y323 CarbonylContact C-O 3.48Å; V318-Y323 PolarHBondContact O-N 2.87Å; E319-Y323 VanDerWaalsContact CA-O 3.31Å; E319-Y323 WeakPolarHBondContact CA-O 3.17Å; L321-Y323 HydrophobicContact CB-CD2 4.03Å; L321-Y323 HydrophobicContact CB-CE2 4.33Å | ||
| 324 | K | 94.3 | Very high | 96 | Very high | 168 Ų | 168 | 43.5 Ų | 43.5 | 73% | 0.73 | 22% | 0.218 | S | C | * | . | trans | -118 | 124.6 | 175.6 | -175 | -177 | 172.7 | -166.2 | 0 | 108.7 | Y326 | K324-Y326 PolarHBondContact O-N 3.27Š| ||
| 325 | P | 96.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -59.3 | 135.1 | 169.5 | -21.4 | 33.1 | 0 | 0 | 0 | 111.2 | F284 L296 V318 E327 I328 | F284-P325 HydrophobicContact CE1-CB 4.38Å; F284-P325 HydrophobicContact CE1-CG 4.3Å; F284-P325 HydrophobicContact CZ-CG 4.39Å; L296-P325 HydrophobicContact CB-CB 3.73Å; L296-P325 HydrophobicContact CB-CG 3.7Å; L296-P325 HydrophobicContact CD2-CG 3.93Å; L296-P325 HydrophobicContact CG-CG 4.47Å; V318-P325 HydrophobicContact CG1-CG 4.18Å; P325-E327 VanDerWaalsContact C-N 3.32Å; P325-I328 HydrophobicContact CB-CG1 4.13Å; P325-I328 HydrophobicContact CG-CG1 4.43Å | ||
| 326 | Y | 95.7 | Very high | 96.3 | Very high | 86 Ų | 86 | 44 Ų | 44 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -62 | -47 | 168.7 | 160.4 | -95.7 | 0 | 0 | 0 | 109.9 | H174 I293 C294 Y295 K324 | H174-Y326 AromaticContact CE1-CE2 3.75Å; H174-Y326 AromaticContact ND1-CE2 3.47Å; H174-Y326 WeakPolarHBondContact ND1-CE2 3.49Å; I293-Y326 HydrophobicContact CB-CD1 4.43Å; I293-Y326 HydrophobicContact CB-CD2 4.13Å; I293-Y326 HydrophobicContact CB-CG 3.82Å; I293-Y326 HydrophobicContact CD1-CD1 3.67Å; I293-Y326 HydrophobicContact CD1-CD2 4.13Å; I293-Y326 HydrophobicContact CD1-CE1 3.85Å; I293-Y326 HydrophobicContact CD1-CE2 4.26Å; I293-Y326 HydrophobicContact CD1-CG 3.83Å; I293-Y326 HydrophobicContact CG1-CG 4.42Å; I293-Y326 HydrophobicContact CG2-CD2 3.65Å; I293-Y326 HydrophobicContact CG2-CE2 4.35Å; I293-Y326 HydrophobicContact CG2-CG 3.89Å; C294-Y326 PolarHBondContact O-N 3.25Å; Y295-Y326 HydrophobicContact CD1-CD1 4.47Å; Y295-Y326 AromaticContact CE1-CD1 3.92Å; Y295-Y326 HydrophobicContact CE1-CD1 3.92Å; Y295-Y326 HydrophobicContact CE1-CE1 4.02Å; Y295-Y326 HydrophobicContact CE2-CD1 4.21Å; Y295-Y326 HydrophobicContact CE2-CE1 4.49Å; Y295-Y326 AromaticContact CZ-CD1 3.76Å; Y295-Y326 AromaticContact CZ-CE1 3.73Å; Y295-Y326 WeakPolarHBondContact OH-CE1 3.38Å; K324-Y326 PolarHBondContact O-N 3.27Å |
| 327 | E | 95.1 | Very high | 96.5 | Very high | 93 Ų | 93 | 47.4 Ų | 47.4 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | trans | -148.2 | 148.4 | 176.9 | -169.4 | 171.2 | -171.5 | 0 | 0 | 109.1 | Y295 L296 P325 T329 | Y295-E327 HydrophobicContact CD1-CB 3.98Å; Y295-E327 HydrophobicContact CE1-CB 3.77Å; Y295-E327 HydrophobicContact CE1-CG 4.39Å; Y295-E327 WeakPolarHBondContact CE1-OE2 3.38Å; L296-E327 PolarHBondContact N-O 2.98Å; L296-E327 VanDerWaalsContact N-O 3.1Å; P325-E327 VanDerWaalsContact C-N 3.32Å; E327-T329 HydrophobicContact CG-CG2 4.04Å | ||
| 328 | I | 97 | Very high | 96.6 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113 | 174 | -59.8 | 178.3 | 0 | 0 | 0 | 107.4 | L296 Y298 F311 K315 P325 | L296-I328 HydrophobicContact CB-CG1 4.38Å; L296-I328 HydrophobicContact CD2-CD1 4.45Å; L296-I328 HydrophobicContact CD2-CG1 4.33Å; L296-I328 WeakPolarHBondContact O-CA 3.43Å; Y298-I328 HydrophobicContact CD2-CG2 3.83Å; Y298-I328 HydrophobicContact CE2-CG2 3.57Å; F311-I328 HydrophobicContact CZ-CG2 4.46Å; K315-I328 HydrophobicContact CD-CD1 4.06Å; P325-I328 HydrophobicContact CB-CG1 4.13Å; P325-I328 HydrophobicContact CG-CG1 4.43Å |
| 329 | T | 96.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 166 | -179.4 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | Y295 L296 R297 Y298 E327 E445 | Y295-T329 HydrophobicContact CD1-CG2 3.85Å; Y295-T329 HydrophobicContact CE1-CG2 4.07Å; L296-T329 PolarHBondContact O-N 3.1Å; R297-T329 CarbonylContact C-O 3.51Å; R297-T329 VanDerWaalsContact CA-O 3.3Å; R297-T329 WeakPolarHBondContact CA-O 3.47Å; R297-T329 WeakPolarHBondContact CB-OG1 3.4Å; R297-T329 WeakPolarHBondContact CG-OG1 3.42Å; Y298-T329 PolarHBondContact N-O 2.94Å; E327-T329 HydrophobicContact CG-CG2 4.04Å; T329-E445 WeakPolarHBondContact CB-OE1 3.44Å; T329-E445 PolarHBondContact OG1-OE1 2.98Å |
| 330 | H | 96.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.2 | 175.9 | -57 | 69.9 | 0 | 0 | 0 | 109.6 | Y298 D300 F311 S332 D333 R423 | Y298-H330 AromaticContact CD2-NE2 3.93Å; D300-H330 WeakPolarHBondContact OD2-CB 3.49Å; D300-H330 IonicContact OD2-CD2 3.71Å; D300-H330 IonicContact OD2-CG 3.56Å; F311-H330 AromaticContact CE2-NE2 3.42Å; F311-H330 WeakPolarHBondContact CE2-NE2 3.3Å; F311-H330 AromaticContact CZ-NE2 3.84Å; H330-S332 PolarHBondContact O-N 2.97Å; H330-D333 IonicContact CG-OD2 3.77Å; H330-D333 PolarHBondContact N-OD2 3.38Å; H330-D333 IonicContact ND1-OD2 3.6Å; H330-D333 WeakPolarHBondContact O-CB 3.49Å; H330-D333 PolarHBondContact O-N 3.1Å; H330-R423 VanDerWaalsContact CD2-CD 3.47Å; H330-R423 WeakPolarHBondContact CD2-CD 3.36Å; H330-R423 VanDerWaalsContact CE1-CZ 3.49Å; H330-R423 PolarHBondContact CE1-NH1 2.75Å; H330-R423 VanDerWaalsContact CG-CZ 3.49Å; H330-R423 VanDerWaalsContact ND1-CZ 3.3Å; H330-R423 PolarHBondContact ND1-NH1 3.08Å; H330-R423 PolarHBondContact ND1-NH2 3.4Å; H330-R423 PolarHBondContact NE2-NH1 3.06Å; H330-R423 VanDerWaalsContact NE2-NH1 3.18Å |
| 331 | A | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -59.5 | -35.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y298 D300 T301 D333 N334 T437 | Y298-A331 PolarHBondContact O-N 3.28Å; D300-A331 WeakPolarHBondContact OD1-CA 3.19Å; D300-A331 WeakPolarHBondContact OD1-CB 3.23Å; D300-A331 PolarHBondContact OD1-N 3.09Å; T301-A331 HydrophobicContact CG2-CB 3.69Å; A331-D333 VanDerWaalsContact C-N 3.25Å; A331-D333 PolarHBondContact O-N 3.19Å; A331-N334 PolarHBondContact O-N 3.08Å; A331-T437 HydrophobicContact CB-CG2 3.73Å |
| 332 | S | 95.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -63.4 | -24.7 | 177 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | D300 H330 N334 F335 R423 | D300-S332 PolarHBondContact OD1-N 2.96Å; D300-S332 WeakPolarHBondContact OD2-CB 3.14Å; D300-S332 PolarHBondContact OD2-OG 2.74Å; H330-S332 PolarHBondContact O-N 2.97Å; S332-N334 PolarHBondContact O-N 3.08Å; S332-N334 VanDerWaalsContact O-N 3.08Å; S332-F335 VanDerWaalsContact CB-CE2 3.43Å; S332-F335 PolarHBondContact O-N 2.94Å; S332-R423 PolarHBondContact OG-NE 3.02Å |
| 333 | D | 96.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 45.4 Ų | 45.4 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -60.5 | -21.7 | 173.7 | -59.9 | -29.4 | 0 | 0 | 0 | 111 | H330 A331 R423 | H330-D333 IonicContact CG-OD2 3.77Å; H330-D333 PolarHBondContact N-OD2 3.38Å; H330-D333 IonicContact ND1-OD2 3.6Å; H330-D333 WeakPolarHBondContact O-CB 3.49Å; H330-D333 PolarHBondContact O-N 3.1Å; A331-D333 VanDerWaalsContact C-N 3.25Å; A331-D333 PolarHBondContact O-N 3.19Å; D333-R423 IonicContact OD1-CZ 3.16Å; D333-R423 IonicContact OD1-NE 2.79Å; D333-R423 IonicContact OD1-NH2 3.24Å; D333-R423 PolarHBondContact OD1-NH2 3.15Å; D333-R423 IonicContact OD2-NH2 2.8Å |
| 334 | N | 97.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -105 | 2.7 | -176.9 | -64.8 | -65.4 | 0 | 0 | 0 | 114.7 | A331 S332 Q336 R337 L338 I444 | A331-N334 PolarHBondContact O-N 3.08Å; S332-N334 PolarHBondContact O-N 3.08Å; S332-N334 VanDerWaalsContact O-N 3.08Å; N334-Q336 VanDerWaalsContact C-N 3.31Å; N334-Q336 PolarHBondContact O-N 3.09Å; N334-R337 PolarHBondContact O-N 3.43Å; N334-L338 HydrophobicContact CB-CD1 4.11Å; N334-L338 HydrophobicContact CB-CG 4.18Å; N334-L338 WeakPolarHBondContact O-CB 3.28Å; N334-L338 VanDerWaalsContact O-CG 3.31Å; N334-L338 WeakPolarHBondContact O-CG 3.03Å; N334-L338 PolarHBondContact O-N 3.49Å; N334-I444 HydrophobicContact CB-CD1 4.25Å |
| 335 | F | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.4 | -41.6 | -173.7 | -75.7 | -16.4 | 0 | 0 | 0 | 114.4 | S332 L338 Y339 H421 T424 W428 Y431 P432 | S332-F335 VanDerWaalsContact CB-CE2 3.43Å; S332-F335 PolarHBondContact O-N 2.94Å; F335-L338 HydrophobicContact CD1-CD1 4.32Å; F335-L338 PolarHBondContact O-N 3.05Å; F335-Y339 WeakPolarHBondContact O-CB 3.39Å; F335-Y339 PolarHBondContact O-N 3.29Å; F335-H421 AromaticContact CE2-CD2 3.66Å; F335-H421 AromaticContact CE2-NE2 3.49Å; F335-H421 WeakPolarHBondContact CE2-NE2 3.3Å; F335-H421 AromaticContact CZ-CD2 3.89Å; F335-H421 AromaticContact CZ-NE2 3.51Å; F335-T424 HydrophobicContact CD2-CG2 4.14Å; F335-T424 HydrophobicContact CE2-CG2 4.36Å; F335-W428 HydrophobicContact CB-CD2 4.45Å; F335-W428 HydrophobicContact CB-CZ2 4.12Å; F335-W428 AromaticContact CD2-CD1 3.9Å; F335-W428 HydrophobicContact CD2-CG 4.32Å; F335-Y431 HydrophobicContact CE2-CD1 4.05Å; F335-Y431 AromaticContact CE2-CE1 3.99Å; F335-Y431 HydrophobicContact CE2-CE1 3.99Å; F335-Y431 AromaticContact CZ-CD1 3.97Å; F335-Y431 HydrophobicContact CZ-CD1 3.97Å; F335-Y431 HydrophobicContact CZ-CE1 4.32Å; F335-P432 HydrophobicContact CD1-CG 4.06Å; F335-P432 HydrophobicContact CE1-CG 4.05Å |
| 336 | Q | 98 | Very high | 97.5 | Very high | 80 Ų | 80 | 38 Ų | 38 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 177.1 | -176.1 | 56.1 | 58.4 | 0 | 0 | 111.6 | N334 L338 Y339 D340 W428 | N334-Q336 VanDerWaalsContact C-N 3.31Å; N334-Q336 PolarHBondContact O-N 3.09Å; Q336-L338 PolarHBondContact O-N 3.48Å; Q336-Y339 WeakPolarHBondContact O-CB 3.34Å; Q336-Y339 PolarHBondContact O-N 2.83Å; Q336-D340 PolarHBondContact NE2-OD1 3.34Å; Q336-D340 PolarHBondContact NE2-OD2 2.74Å; Q336-D340 VanDerWaalsContact O-CG 3.23Å; Q336-D340 PolarHBondContact O-N 3.43Å; Q336-W428 HydrophobicContact CB-CZ2 4.2Å |
| 337 | R | 97.9 | Very high | 97.6 | Very high | 144 Ų | 144 | 41.4 Ų | 41.4 | 54% | 0.543 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.4 | -39 | 179 | -170.8 | 164.7 | -176.9 | 170.8 | -1.1 | 111.9 | N334 Y339 D340 L341 I444 | N334-R337 PolarHBondContact O-N 3.43Å; R337-Y339 VanDerWaalsContact C-N 3.31Å; R337-D340 PolarHBondContact O-N 3.33Å; R337-L341 HydrophobicContact CG-CD1 4.34Å; R337-L341 WeakPolarHBondContact O-CB 3.42Å; R337-L341 VanDerWaalsContact O-CG 3.26Å; R337-L341 WeakPolarHBondContact O-CG 3.18Å; R337-L341 PolarHBondContact O-N 2.98Å; R337-I444 HydrophobicContact CB-CD1 4.47Å; R337-I444 HydrophobicContact CG-CD1 4.03Å |
| 338 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 173.6 | -68.2 | 170.4 | 0 | 0 | 0 | 111.3 | N334 F335 Q336 A342 Y414 P432 Y436 T437 L440 | N334-L338 HydrophobicContact CB-CD1 4.11Å; N334-L338 HydrophobicContact CB-CG 4.18Å; N334-L338 WeakPolarHBondContact O-CB 3.28Å; N334-L338 VanDerWaalsContact O-CG 3.31Å; N334-L338 WeakPolarHBondContact O-CG 3.03Å; N334-L338 PolarHBondContact O-N 3.49Å; F335-L338 HydrophobicContact CD1-CD1 4.32Å; F335-L338 PolarHBondContact O-N 3.05Å; Q336-L338 PolarHBondContact O-N 3.48Å; L338-A342 WeakPolarHBondContact O-CB 3.31Å; L338-A342 PolarHBondContact O-N 2.85Å; L338-A342 VanDerWaalsContact O-N 3.07Å; L338-Y414 WeakPolarHBondContact CB-OH 3.45Å; L338-Y414 PolarHBondContact O-OH 3.47Å; L338-P432 HydrophobicContact CD1-CG 3.97Å; L338-Y436 HydrophobicContact CB-CE1 4.14Å; L338-Y436 HydrophobicContact CD2-CD1 4.32Å; L338-Y436 HydrophobicContact CD2-CE1 4.03Å; L338-Y436 PolarHBondContact O-OH 3.07Å; L338-Y436 VanDerWaalsContact O-OH 3.11Å; L338-T437 HydrophobicContact CD1-CG2 3.72Å; L338-L440 HydrophobicContact CD2-CB 3.59Å; L338-L440 HydrophobicContact CD2-CD1 4.01Å; L338-L440 HydrophobicContact CD2-CG 4.46Å |
| 339 | Y | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -46.3 | 175.7 | 173.5 | -94.6 | 0 | 0 | 0 | 111 | F335 Q336 R337 L341 A342 V343 F383 R387 Y414 W428 I430 | F335-Y339 WeakPolarHBondContact O-CB 3.39Å; F335-Y339 PolarHBondContact O-N 3.29Å; Q336-Y339 WeakPolarHBondContact O-CB 3.34Å; Q336-Y339 PolarHBondContact O-N 2.83Å; R337-Y339 VanDerWaalsContact C-N 3.31Å; Y339-L341 VanDerWaalsContact C-N 3.31Å; Y339-L341 PolarHBondContact O-N 3.32Å; Y339-A342 WeakPolarHBondContact O-CB 3.35Å; Y339-A342 PolarHBondContact O-N 3.22Å; Y339-V343 HydrophobicContact CD1-CG2 4.24Å; Y339-V343 HydrophobicContact CE1-CG2 3.75Å; Y339-V343 HydrophobicContact CE2-CG2 4.31Å; Y339-V343 WeakPolarHBondContact O-CG2 3.32Å; Y339-V343 PolarHBondContact O-N 3.48Å; Y339-F383 HydrophobicContact CD2-CD1 4.49Å; Y339-F383 AromaticContact CD2-CE1 3.59Å; Y339-F383 HydrophobicContact CD2-CE1 3.59Å; Y339-F383 HydrophobicContact CD2-CE2 4.47Å; Y339-F383 AromaticContact CD2-CZ 3.58Å; Y339-F383 HydrophobicContact CD2-CZ 3.58Å; Y339-F383 AromaticContact CE2-CD1 3.85Å; Y339-F383 HydrophobicContact CE2-CD1 3.85Å; Y339-F383 AromaticContact CE2-CE1 3.38Å; Y339-F383 HydrophobicContact CE2-CE1 3.38Å; Y339-F383 HydrophobicContact CE2-CE2 4.29Å; Y339-F383 HydrophobicContact CE2-CG 4.49Å; Y339-F383 AromaticContact CE2-CZ 3.64Å; Y339-F383 HydrophobicContact CE2-CZ 3.64Å; Y339-R387 HydrophobicContact CE2-CB 4.26Å; Y339-R387 HydrophobicContact CE2-CG 4.35Å; Y339-Y414 WeakPolarHBondContact CA-OH 3.38Å; Y339-Y414 PolarHBondContact N-OH 3.37Å; Y339-W428 HydrophobicContact CD2-CZ3 4.05Å; Y339-W428 HydrophobicContact CG-CH2 4.1Å; Y339-W428 AromaticContact CG-CZ3 3.97Å; Y339-W428 HydrophobicContact CG-CZ3 3.97Å; Y339-I430 HydrophobicContact CD2-CD1 3.85Å; Y339-I430 HydrophobicContact CE2-CD1 3.92Å |
| 340 | D | 98.6 | Very high | 97.8 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 179.7 | -64.1 | -30.8 | 0 | 0 | 0 | 111.7 | Q336 R337 A342 V343 D344 | Q336-D340 PolarHBondContact NE2-OD1 3.34Å; Q336-D340 PolarHBondContact NE2-OD2 2.74Å; Q336-D340 VanDerWaalsContact O-CG 3.23Å; Q336-D340 PolarHBondContact O-N 3.43Å; R337-D340 PolarHBondContact O-N 3.33Å; D340-A342 VanDerWaalsContact C-N 3.34Å; D340-V343 PolarHBondContact O-N 2.97Å; D340-D344 PolarHBondContact O-N 3.15Å |
| 341 | L | 98.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -34.4 | 172.9 | -71 | 170.4 | 0 | 0 | 0 | 112.2 | R337 Y339 D344 L345 Y436 L440 L470 V472 | R337-L341 HydrophobicContact CG-CD1 4.34Å; R337-L341 WeakPolarHBondContact O-CB 3.42Å; R337-L341 VanDerWaalsContact O-CG 3.26Å; R337-L341 WeakPolarHBondContact O-CG 3.18Å; R337-L341 PolarHBondContact O-N 2.98Å; Y339-L341 VanDerWaalsContact C-N 3.31Å; Y339-L341 PolarHBondContact O-N 3.32Å; L341-D344 PolarHBondContact O-N 3.44Å; L341-L345 WeakPolarHBondContact O-CB 3.48Å; L341-L345 PolarHBondContact O-N 3.32Å; L341-Y436 VanDerWaalsContact C-OH 3.25Å; L341-Y436 WeakPolarHBondContact CB-OH 3.37Å; L341-L440 HydrophobicContact CB-CD1 4.29Å; L341-L440 HydrophobicContact CD1-CB 4.41Å; L341-L440 HydrophobicContact CD1-CD1 4Å; L341-L440 HydrophobicContact CD1-CD2 4.3Å; L341-L440 HydrophobicContact CD1-CG 4.47Å; L341-L470 HydrophobicContact CB-CD1 4.15Å; L341-L470 HydrophobicContact CD2-CD1 4.29Å; L341-L470 HydrophobicContact CD2-CD2 4.26Å; L341-L470 WeakPolarHBondContact O-CD2 3.46Å; L341-V472 HydrophobicContact CD2-CG1 4.27Å |
| 342 | A | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.9 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L338 Y339 D340 L345 I346 F383 Y414 Y436 | L338-A342 WeakPolarHBondContact O-CB 3.31Å; L338-A342 PolarHBondContact O-N 2.85Å; L338-A342 VanDerWaalsContact O-N 3.07Å; Y339-A342 WeakPolarHBondContact O-CB 3.35Å; Y339-A342 PolarHBondContact O-N 3.22Å; D340-A342 VanDerWaalsContact C-N 3.34Å; A342-L345 WeakPolarHBondContact O-CB 3.48Å; A342-L345 PolarHBondContact O-N 2.88Å; A342-I346 WeakPolarHBondContact O-CG1 3.37Å; A342-I346 PolarHBondContact O-N 3.4Å; A342-F383 HydrophobicContact CB-CE1 3.81Å; A342-F383 HydrophobicContact CB-CZ 4.08Å; A342-Y414 HydrophobicContact CB-CD2 4.14Å; A342-Y414 HydrophobicContact CB-CE2 3.5Å; A342-Y436 VanDerWaalsContact CA-OH 3.27Å; A342-Y436 WeakPolarHBondContact CA-OH 3.24Å; A342-Y436 WeakPolarHBondContact CB-OH 3.49Å; A342-Y436 PolarHBondContact N-OH 2.99Å |
| 343 | V | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 171.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y339 D340 L345 I346 R347 L380 F383 | Y339-V343 HydrophobicContact CD1-CG2 4.24Å; Y339-V343 HydrophobicContact CE1-CG2 3.75Å; Y339-V343 HydrophobicContact CE2-CG2 4.31Å; Y339-V343 WeakPolarHBondContact O-CG2 3.32Å; Y339-V343 PolarHBondContact O-N 3.48Å; D340-V343 PolarHBondContact O-N 2.97Å; V343-L345 VanDerWaalsContact C-N 3.35Å; V343-I346 PolarHBondContact O-N 2.92Å; V343-R347 WeakPolarHBondContact O-CG 3.47Å; V343-R347 PolarHBondContact O-N 2.9Å; V343-L380 HydrophobicContact CG1-CD2 3.87Å; V343-F383 HydrophobicContact CG2-CD1 4.07Å; V343-F383 HydrophobicContact CG2-CE1 4.08Å |
| 344 | D | 98.4 | Very high | 98.2 | Very high | 43 Ų | 43 | 37.7 Ų | 37.7 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.6 | -168.5 | 33 | 0 | 0 | 0 | 111.8 | D340 L341 I346 R347 R348 L470 | D340-D344 PolarHBondContact O-N 3.15Å; L341-D344 PolarHBondContact O-N 3.44Å; D344-I346 VanDerWaalsContact C-N 3.3Å; D344-I346 PolarHBondContact O-N 2.75Å; D344-R347 WeakPolarHBondContact O-CB 3.45Å; D344-R347 PolarHBondContact O-N 3.36Å; D344-R347 VanDerWaalsContact O-N 3.12Å; D344-R348 VanDerWaalsContact CG-NE 3.35Å; D344-R348 VanDerWaalsContact O-CG 3.32Å; D344-R348 WeakPolarHBondContact O-CG 3.49Å; D344-R348 PolarHBondContact O-N 3.49Å; D344-R348 IonicContact OD1-NE 3.97Å; D344-R348 PolarHBondContact OD1-NE 3.46Å; D344-R348 IonicContact OD2-CZ 3.89Å; D344-R348 IonicContact OD2-NE 2.81Å; D344-R348 PolarHBondContact OD2-NE 3Å; D344-R348 IonicContact OD2-NH2 3.17Å; D344-R348 PolarHBondContact OD2-NH2 2.85Å; D344-L470 HydrophobicContact CB-CD2 4.07Å |
| 345 | L | 98 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 175.8 | -162.4 | 67.7 | 0 | 0 | 0 | 112.1 | L341 A342 V343 G349 H350 A351 M400 Y436 W465 L466 A469 L470 | L341-L345 WeakPolarHBondContact O-CB 3.48Å; L341-L345 PolarHBondContact O-N 3.32Å; A342-L345 WeakPolarHBondContact O-CB 3.48Å; A342-L345 PolarHBondContact O-N 2.88Å; V343-L345 VanDerWaalsContact C-N 3.35Å; L345-G349 PolarHBondContact O-N 3.5Å; L345-H350 HydrophobicContact CD1-CB 3.53Å; L345-H350 HydrophobicContact CG-CB 3.84Å; L345-H350 WeakPolarHBondContact O-CA 3.44Å; L345-H350 PolarHBondContact O-N 3.33Å; L345-A351 HydrophobicContact CB-CB 4.19Å; L345-A351 HydrophobicContact CD2-CB 3.8Å; L345-A351 HydrophobicContact CG-CB 3.84Å; L345-A351 PolarHBondContact O-N 2.93Å; L345-M400 HydrophobicContact CD2-CG 4.11Å; L345-Y436 HydrophobicContact CD2-CE2 4.26Å; L345-W465 HydrophobicContact CD1-CH2 4.29Å; L345-W465 HydrophobicContact CD2-CH2 4.47Å; L345-L466 HydrophobicContact CD1-CD1 4.43Å; L345-L466 HydrophobicContact CD2-CD1 3.98Å; L345-A469 HydrophobicContact CD1-CB 3.85Å; L345-L470 HydrophobicContact CB-CD2 4.11Å; L345-L470 HydrophobicContact CD1-CD1 4.48Å; L345-L470 HydrophobicContact CD1-CD2 4.13Å; L345-L470 HydrophobicContact CD1-CG 4.02Å |
| 346 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -45.6 | 173.9 | -66 | 167 | 0 | 0 | 0 | 110.6 | A342 V343 D344 R348 G349 A351 V376 L380 F383 V398 | A342-I346 WeakPolarHBondContact O-CG1 3.37Å; A342-I346 PolarHBondContact O-N 3.4Å; V343-I346 PolarHBondContact O-N 2.92Å; D344-I346 VanDerWaalsContact C-N 3.3Å; D344-I346 PolarHBondContact O-N 2.75Å; I346-R348 PolarHBondContact O-N 3.09Å; I346-G349 WeakPolarHBondContact O-CA 3.47Å; I346-G349 PolarHBondContact O-N 3.28Å; I346-A351 HydrophobicContact CG1-CB 3.78Å; I346-V376 HydrophobicContact CG2-CG1 4.32Å; I346-V376 WeakPolarHBondContact O-CG1 3.13Å; I346-L380 HydrophobicContact CB-CD2 4.03Å; I346-L380 HydrophobicContact CG2-CD2 3.72Å; I346-L380 HydrophobicContact CG2-CG 3.84Å; I346-F383 HydrophobicContact CD1-CB 4.06Å; I346-F383 HydrophobicContact CD1-CD1 3.73Å; I346-F383 HydrophobicContact CD1-CE1 4.48Å; I346-F383 HydrophobicContact CD1-CG 4.1Å; I346-V398 HydrophobicContact CD1-CG1 4.39Å |
| 347 | R | 98.5 | Very high | 97.3 | Very high | 158 Ų | 158 | 42.7 Ų | 42.7 | 60% | 0.596 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -58.3 | -37.1 | 178.2 | -74.9 | 176.4 | -179.1 | 145.6 | 1.4 | 112.8 | V343 D344 G349 L380 | V343-R347 WeakPolarHBondContact O-CG 3.47Å; V343-R347 PolarHBondContact O-N 2.9Å; D344-R347 WeakPolarHBondContact O-CB 3.45Å; D344-R347 PolarHBondContact O-N 3.36Å; D344-R347 VanDerWaalsContact O-N 3.12Å; R347-G349 PolarHBondContact O-N 3.05Å; R347-L380 HydrophobicContact CG-CD1 4.07Å; R347-L380 HydrophobicContact CG-CD2 4.2Å |
| 348 | R | 97.9 | Very high | 96.3 | Very high | 87 Ų | 87 | 38 Ų | 38 | 33% | 0.328 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -0.5 | 175.8 | -63.3 | 176 | -171 | -140.5 | 8.3 | 113.5 | D344 I346 H350 A469 L470 D471 | D344-R348 VanDerWaalsContact CG-NE 3.35Å; D344-R348 VanDerWaalsContact O-CG 3.32Å; D344-R348 WeakPolarHBondContact O-CG 3.49Å; D344-R348 PolarHBondContact O-N 3.49Å; D344-R348 IonicContact OD1-NE 3.97Å; D344-R348 PolarHBondContact OD1-NE 3.46Å; D344-R348 IonicContact OD2-CZ 3.89Å; D344-R348 IonicContact OD2-NE 2.81Å; D344-R348 PolarHBondContact OD2-NE 3Å; D344-R348 IonicContact OD2-NH2 3.17Å; D344-R348 PolarHBondContact OD2-NH2 2.85Å; I346-R348 PolarHBondContact O-N 3.09Å; R348-H350 VanDerWaalsContact C-N 3.27Å; R348-H350 PolarHBondContact O-N 2.96Å; R348-A469 WeakPolarHBondContact CD-O 3.33Å; R348-A469 PolarHBondContact NH1-O 2.82Å; R348-L470 PolarHBondContact NH2-O 2.69Å; R348-D471 IonicContact CZ-OD2 3.24Å; R348-D471 IonicContact NH1-OD2 2.66Å; R348-D471 PolarHBondContact NH1-OD2 2.84Å; R348-D471 IonicContact NH2-OD2 3.13Å |
| 349 | G | 97.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 16.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | L345 I346 R347 K401 | L345-G349 PolarHBondContact O-N 3.5Å; I346-G349 WeakPolarHBondContact O-CA 3.47Å; I346-G349 PolarHBondContact O-N 3.28Å; R347-G349 PolarHBondContact O-N 3.05Å; G349-K401 WeakPolarHBondContact O-CD 3.26Å |
| 350 | H | 97.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -100.8 | 1.7 | -177.4 | -67 | -45.9 | 0 | 0 | 0 | 113.6 | L345 R348 K401 W465 | L345-H350 HydrophobicContact CD1-CB 3.53Å; L345-H350 HydrophobicContact CG-CB 3.84Å; L345-H350 WeakPolarHBondContact O-CA 3.44Å; L345-H350 PolarHBondContact O-N 3.33Å; R348-H350 VanDerWaalsContact C-N 3.27Å; R348-H350 PolarHBondContact O-N 2.96Å; H350-K401 WeakPolarHBondContact O-CB 3.5Å; H350-K401 PolarHBondContact O-N 3.08Å; H350-W465 HydrophobicContact CB-CH2 4.1Å; H350-W465 HydrophobicContact CB-CZ2 4.02Å |
| 351 | A | 98.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L345 I346 V398 R399 | L345-A351 HydrophobicContact CB-CB 4.19Å; L345-A351 HydrophobicContact CD2-CB 3.8Å; L345-A351 HydrophobicContact CG-CB 3.84Å; L345-A351 PolarHBondContact O-N 2.93Å; I346-A351 HydrophobicContact CG1-CB 3.78Å; A351-V398 HydrophobicContact CB-CG1 4.14Å; A351-R399 CarbonylContact C-O 3.59Å; A351-R399 WeakPolarHBondContact CA-O 3.29Å; A351-R399 WeakPolarHBondContact CB-O 3.33Å |
| 352 | Y | 98.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 157.7 | 179.6 | 65 | -84.9 | 0 | 0 | 0 | 111.1 | C354 S369 W371 R372 R399 K401 D410 | Y352-C354 HydrophobicContact CD2-CB 4.24Å; Y352-C354 HydrophobicContact CE2-CB 3.74Å; Y352-S369 WeakPolarHBondContact CE2-OG 3.22Å; Y352-S369 WeakPolarHBondContact OH-CB 3.5Å; Y352-W371 HydrophobicContact CD2-CB 4.39Å; Y352-W371 VanDerWaalsContact CD2-O 3.25Å; Y352-W371 WeakPolarHBondContact CD2-O 3.38Å; Y352-R372 HydrophobicContact CD1-CG 4.34Å; Y352-R372 HydrophobicContact CE1-CB 4.12Å; Y352-R372 HydrophobicContact CE1-CG 3.73Å; Y352-R372 HydrophobicContact CE2-CB 4.24Å; Y352-R399 HydrophobicContact CE1-CB 4.11Å; Y352-R399 HydrophobicContact CE2-CB 4.32Å; Y352-R399 PolarHBondContact N-O 2.91Å; Y352-R399 PolarHBondContact O-N 3.24Å; Y352-K401 HydrophobicContact CD1-CB 4.15Å; Y352-K401 HydrophobicContact CD1-CD 4.49Å; Y352-K401 HydrophobicContact CD1-CG 4.38Å; Y352-K401 HydrophobicContact CE1-CB 4.31Å; Y352-K401 HydrophobicContact CE1-CG 4.4Å; Y352-D410 HydrophobicContact CE1-CB 4.2Å; Y352-D410 WeakPolarHBondContact CE1-OD2 3.46Å; Y352-D410 WeakPolarHBondContact OH-CB 3.48Å; Y352-D410 PolarHBondContact OH-OD2 3.32Å |
| 353 | V | 98.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.1 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | W371 R374 S379 L382 F383 M386 A396 T397 V398 | V353-W371 WeakPolarHBondContact O-CB 3.47Å; V353-R374 VanDerWaalsContact O-CD 3.26Å; V353-R374 WeakPolarHBondContact O-CD 3.34Å; V353-R374 PolarHBondContact O-NH1 3.05Å; V353-S379 WeakPolarHBondContact CG2-O 3.39Å; V353-S379 PolarHBondContact N-OG 3.29Å; V353-L382 HydrophobicContact CB-CB 4.02Å; V353-L382 HydrophobicContact CB-CD1 4.32Å; V353-L382 HydrophobicContact CG1-CB 3.98Å; V353-L382 HydrophobicContact CG1-CD1 4.34Å; V353-L382 HydrophobicContact CG2-CB 3.88Å; V353-F383 HydrophobicContact CG2-CB 3.96Å; V353-M386 HydrophobicContact CG1-SD 3.76Å; V353-M386 HydrophobicContact CG2-SD 4.05Å; V353-A396 HydrophobicContact CG1-CB 4.19Å; V353-T397 CarbonylContact C-O 3.55Å; V353-T397 WeakPolarHBondContact CA-O 3.29Å; V353-V398 HydrophobicContact CG2-CG2 4.33Å |
| 354 | C | 97.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.7 | -178.3 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | Y352 Q356 S369 A396 T397 R399 | Y352-C354 HydrophobicContact CD2-CB 4.24Å; Y352-C354 HydrophobicContact CE2-CB 3.74Å; C354-Q356 PolarHBondContact SG-N 3.41Å; C354-Q356 VanDerWaalsContact SG-N 3.39Å; C354-S369 PolarHBondContact SG-OG 3Å; C354-A396 CarbonylContact O-C 3.58Å; C354-A396 WeakPolarHBondContact O-CA 3.18Å; C354-T397 PolarHBondContact N-O 2.99Å; C354-T397 PolarHBondContact O-N 3.43Å; C354-T397 PolarHBondContact O-OG1 2.95Å; C354-R399 VanDerWaalsContact CB-CD 3.44Å; C354-R399 HydrophobicContact CB-CG 3.96Å |
| 355 | H | 95.9 | Very high | 86 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | trans | -111.7 | 12.6 | 176 | -57.7 | -73.9 | 0 | 0 | 0 | 113 | R357 W371 R374 E395 | H355-R357 PolarHBondContact O-N 2.85Å; H355-W371 VanDerWaalsContact C-CZ3 3.45Å; H355-W371 HydrophobicContact CB-CD2 4.17Å; H355-W371 HydrophobicContact CB-CE3 4.14Å; H355-W371 HydrophobicContact CB-CH2 3.7Å; H355-W371 HydrophobicContact CB-CZ2 3.73Å; H355-W371 HydrophobicContact CB-CZ3 3.91Å; H355-W371 AromaticContact CD2-CE2 3.84Å; H355-W371 AromaticContact CD2-NE1 3.77Å; H355-R374 PolarHBondContact CD2-NH1 3.32Å; H355-R374 PolarHBondContact NE2-NH1 3.27Å; H355-R374 VanDerWaalsContact NE2-NH1 3.16Å; H355-E395 PolarHBondContact ND1-O 3.5Å | ||
| 356 | Q | 92.6 | Very high | 84.8 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | trans | -65.9 | 135.3 | 171.9 | -71.4 | -175.6 | -60.4 | 0 | 0 | 109.3 | C354 E360 L361 P367 S369 W371 | C354-Q356 PolarHBondContact SG-N 3.41Å; C354-Q356 VanDerWaalsContact SG-N 3.39Å; Q356-E360 VanDerWaalsContact CA-OE2 3.25Å; Q356-E360 WeakPolarHBondContact CA-OE2 3.37Å; Q356-L361 HydrophobicContact CB-CD2 4.16Å; Q356-L361 HydrophobicContact CB-CG 4.35Å; Q356-P367 PolarHBondContact NE2-O 3.12Å; Q356-P367 VanDerWaalsContact NE2-O 3.1Å; Q356-S369 VanDerWaalsContact OE1-CA 3.28Å; Q356-S369 VanDerWaalsContact OE1-CB 3.32Å; Q356-W371 HydrophobicContact CB-CZ3 4.32Å; Q356-W371 HydrophobicContact CG-CE3 4.05Å; Q356-W371 HydrophobicContact CG-CZ3 3.59Å; Q356-W371 VanDerWaalsContact N-CZ3 3.28Å | ||
| 357 | R | 86.6 | Confident | 83.8 | Confident | 161 Ų | 161 | 76 Ų | 76 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | trans | -78.6 | 157 | 177.3 | -67.3 | -174.8 | 175.1 | -172 | -1.5 | 110.6 | H355 E359 E360 L361 | H355-R357 PolarHBondContact O-N 2.85Å; R357-E359 PolarHBondContact O-N 3.4Å; R357-E359 VanDerWaalsContact O-N 3.1Å; R357-E360 HydrophobicContact CB-CG 4.39Å; R357-E360 PolarHBondContact N-OE2 2.94Å; R357-E360 WeakPolarHBondContact O-CB 3.21Å; R357-E360 PolarHBondContact O-N 3.27Å; R357-L361 PolarHBondContact O-N 3.38Å | ||
| 358 | G | 77.6 | Confident | 83.1 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L361 K362 | G358-L361 PolarHBondContact O-N 2.72Å; G358-K362 WeakPolarHBondContact O-CG 3.43Å |
| 359 | E | 75.6 | Confident | 82.8 | Confident | 154 Ų | 154 | 68.9 Ų | 68.9 | 72% | 0.72 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -36.4 | 176.2 | -64.4 | -179.1 | 167 | 0 | 0 | 112.9 | R357 L361 K362 | R357-E359 PolarHBondContact O-N 3.4Å; R357-E359 VanDerWaalsContact O-N 3.1Å; E359-L361 PolarHBondContact O-N 3.33Å; E359-K362 WeakPolarHBondContact O-CB 3.26Å; E359-K362 PolarHBondContact O-N 2.98Å |
| 360 | E | 74.4 | Confident | 82.7 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17.7 | 177.8 | -58.4 | 172.8 | 157.7 | 0 | 0 | 112.1 | Q356 R357 | Q356-E360 VanDerWaalsContact CA-OE2 3.25Å; Q356-E360 WeakPolarHBondContact CA-OE2 3.37Å; R357-E360 HydrophobicContact CB-CG 4.39Å; R357-E360 PolarHBondContact N-OE2 2.94Å; R357-E360 WeakPolarHBondContact O-CB 3.21Å; R357-E360 PolarHBondContact O-N 3.27Å |
| 361 | L | 71.8 | Confident | 82.6 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6.4 | 174.9 | -60.4 | 172.8 | 0 | 0 | 0 | 112.7 | Q356 R357 G358 E359 | Q356-L361 HydrophobicContact CB-CD2 4.16Å; Q356-L361 HydrophobicContact CB-CG 4.35Å; R357-L361 PolarHBondContact O-N 3.38Å; G358-L361 PolarHBondContact O-N 2.72Å; E359-L361 PolarHBondContact O-N 3.33Å |
| 362 | K | 66.1 | Low | 82.5 | Confident | 161 Ų | 161 | 75.2 Ų | 75.2 | 70% | 0.7 | 40% | 0.398 | S | S | * | . | trans | -87.2 | 135.9 | 176.9 | -72.9 | 176.2 | -177 | 176.5 | 0 | 110.6 | G358 E359 | G358-K362 WeakPolarHBondContact O-CG 3.43Å; E359-K362 WeakPolarHBondContact O-CB 3.26Å; E359-K362 PolarHBondContact O-N 2.98Å | ||
| 363 | G | 62.2 | Low | 82.4 | Confident | 63 Ų | 63 | 81.3 Ų | 81.3 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 134.1 | 171.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N365 | G363-N365 VanDerWaalsContact C-N 3.27Å; G363-N365 PolarHBondContact O-N 2.75Å |
| 364 | H | 57.8 | Low | 82.3 | Confident | 200 Ų | 200 | 83 Ų | 83 | 93% | 0.926 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -72.9 | -18.3 | -177.9 | -116.9 | -60.2 | 0 | 0 | 0 | 113.7 | ||
| 365 | N | 66.3 | Low | 82.3 | Confident | 153 Ų | 153 | 86.9 Ų | 86.9 | 82% | 0.818 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -151.6 | 75.3 | -179.4 | -119.7 | -2 | 0 | 0 | 0 | 109.7 | G363 | G363-N365 VanDerWaalsContact C-N 3.27Å; G363-N365 PolarHBondContact O-N 2.75Å |
| 366 | P | 71.6 | Confident | 82.4 | Confident | 34 Ų | 34 | 87.2 Ų | 87.2 | 22% | 0.221 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.5 | 178.9 | 26.3 | -32.8 | 0 | 0 | 0 | 110.3 | ||
| 367 | P | 77.4 | Confident | 82.7 | Confident | 80 Ų | 80 | 93.3 Ų | 93.3 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 142.3 | 179.3 | 25.4 | -33.3 | 0 | 0 | 0 | 110.4 | Q356 S369 | Q356-P367 PolarHBondContact NE2-O 3.12Å; Q356-P367 VanDerWaalsContact NE2-O 3.1Å; P367-S369 PolarHBondContact O-N 2.77Å |
| 368 | P | 84.6 | Confident | 83.2 | Confident | 88 Ų | 88 | 89.5 Ų | 89.5 | 57% | 0.571 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 143 | 178.6 | 26.2 | -34 | 0 | 0 | 0 | 109.8 | P370 M409 | P368-P370 WeakPolarHBondContact O-CD 3.3Å; P368-M409 HydrophobicContact CB-CE 4.14Å |
| 369 | S | 92.2 | Very high | 84.2 | Confident | 7 Ų | 7 | 87.3 Ų | 87.3 | 5% | 0.049 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 125.4 | -179.5 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | Y352 C354 Q356 P367 W371 R372 | Y352-S369 WeakPolarHBondContact CE2-OG 3.22Å; Y352-S369 WeakPolarHBondContact OH-CB 3.5Å; C354-S369 PolarHBondContact SG-OG 3Å; Q356-S369 VanDerWaalsContact OE1-CA 3.28Å; Q356-S369 VanDerWaalsContact OE1-CB 3.32Å; P367-S369 PolarHBondContact O-N 2.77Å; S369-W371 PolarHBondContact O-N 3.48Å; S369-W371 PolarHBondContact OG-N 3.2Å; S369-W371 VanDerWaalsContact OG-N 3.13Å; S369-R372 VanDerWaalsContact O-CB 3.27Å; S369-R372 WeakPolarHBondContact O-CB 3.36Å; S369-R372 PolarHBondContact O-N 2.8Å; S369-R372 VanDerWaalsContact O-N 3.08Å |
| 370 | P | 94.2 | Very high | 85.3 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.6 | 172.2 | -25.5 | 34.6 | 0 | 0 | 0 | 113.2 | P368 | P368-P370 WeakPolarHBondContact O-CD 3.3Š|
| 371 | W | 96.4 | Very high | 86.4 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 30% | 0.295 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.3 | -176.6 | -59 | -76.9 | 0 | 0 | 0 | 114.1 | Y352 V353 H355 Q356 S369 E373 R374 | Y352-W371 HydrophobicContact CD2-CB 4.39Å; Y352-W371 VanDerWaalsContact CD2-O 3.25Å; Y352-W371 WeakPolarHBondContact CD2-O 3.38Å; V353-W371 WeakPolarHBondContact O-CB 3.47Å; H355-W371 VanDerWaalsContact C-CZ3 3.45Å; H355-W371 HydrophobicContact CB-CD2 4.17Å; H355-W371 HydrophobicContact CB-CE3 4.14Å; H355-W371 HydrophobicContact CB-CH2 3.7Å; H355-W371 HydrophobicContact CB-CZ2 3.73Å; H355-W371 HydrophobicContact CB-CZ3 3.91Å; H355-W371 AromaticContact CD2-CE2 3.84Å; H355-W371 AromaticContact CD2-NE1 3.77Å; Q356-W371 HydrophobicContact CB-CZ3 4.32Å; Q356-W371 HydrophobicContact CG-CE3 4.05Å; Q356-W371 HydrophobicContact CG-CZ3 3.59Å; Q356-W371 VanDerWaalsContact N-CZ3 3.28Å; S369-W371 PolarHBondContact O-N 3.48Å; S369-W371 PolarHBondContact OG-N 3.2Å; S369-W371 VanDerWaalsContact OG-N 3.13Å; W371-E373 VanDerWaalsContact C-N 3.28Å; W371-E373 PolarHBondContact O-N 3.17Å; W371-R374 VanDerWaalsContact CD1-CZ 3.43Å; W371-R374 VanDerWaalsContact CD1-NH2 3.31Å; W371-R374 WeakPolarHBondContact O-CB 3.48Å; W371-R374 WeakPolarHBondContact O-CD 3.39Å; W371-R374 WeakPolarHBondContact O-CG 3.28Å; W371-R374 PolarHBondContact O-N 3.25Å |
| 372 | R | 95.1 | Very high | 87.7 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 23% | 0.226 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32.9 | -175.2 | -173.5 | 178.7 | -165.5 | -85.6 | 2.5 | 114.2 | Y352 S369 K401 D410 | Y352-R372 HydrophobicContact CD1-CG 4.34Å; Y352-R372 HydrophobicContact CE1-CB 4.12Å; Y352-R372 HydrophobicContact CE1-CG 3.73Å; Y352-R372 HydrophobicContact CE2-CB 4.24Å; S369-R372 VanDerWaalsContact O-CB 3.27Å; S369-R372 WeakPolarHBondContact O-CB 3.36Å; S369-R372 PolarHBondContact O-N 2.8Å; S369-R372 VanDerWaalsContact O-N 3.08Å; R372-K401 HydrophobicContact CG-CD 4.44Å; R372-K401 HydrophobicContact CG-CG 4.29Å; R372-K401 WeakPolarHBondContact O-CE 3.36Å; R372-K401 PolarHBondContact O-NZ 3.1Å; R372-D410 VanDerWaalsContact CD-OD2 3.24Å; R372-D410 WeakPolarHBondContact CD-OD2 3.49Å; R372-D410 IonicContact CZ-OD1 3.88Å; R372-D410 IonicContact NE-OD1 2.73Å; R372-D410 PolarHBondContact NE-OD1 3.49Å; R372-D410 IonicContact NE-OD2 3.75Å; R372-D410 PolarHBondContact NE-OD2 2.99Å; R372-D410 IonicContact NH2-OD1 2.77Å; R372-D410 PolarHBondContact NH2-OD1 3.42Å |
| 373 | E | 96.1 | Very high | 89.3 | Confident | 132 Ų | 132 | 71.5 Ų | 71.5 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 15.5 | -178.4 | -57.3 | -53.3 | 137.9 | 0 | 0 | 112.5 | W371 K401 | W371-E373 VanDerWaalsContact C-N 3.28Å; W371-E373 PolarHBondContact O-N 3.17Å; E373-K401 WeakPolarHBondContact OE1-CE 3.39Å; E373-K401 IonicContact OE1-NZ 3.51Å; E373-K401 PolarHBondContact OE1-NZ 3.36Å; E373-K401 IonicContact OE2-NZ 3.76Å; E373-K401 PolarHBondContact OE2-NZ 3.05Å |
| 374 | R | 96.8 | Very high | 91 | Very high | 35 Ų | 35 | 71.3 Ų | 71.3 | 13% | 0.132 | 38% | 0.376 | C | S | . | . | trans | -64.4 | 148.9 | 178.1 | 82.8 | -165.7 | -38 | 176.6 | 2.9 | 111.1 | V353 H355 W371 E378 S379 L382 | V353-R374 VanDerWaalsContact O-CD 3.26Å; V353-R374 WeakPolarHBondContact O-CD 3.34Å; V353-R374 PolarHBondContact O-NH1 3.05Å; H355-R374 PolarHBondContact CD2-NH1 3.32Å; H355-R374 PolarHBondContact NE2-NH1 3.27Å; H355-R374 VanDerWaalsContact NE2-NH1 3.16Å; W371-R374 VanDerWaalsContact CD1-CZ 3.43Å; W371-R374 VanDerWaalsContact CD1-NH2 3.31Å; W371-R374 WeakPolarHBondContact O-CB 3.48Å; W371-R374 WeakPolarHBondContact O-CD 3.39Å; W371-R374 WeakPolarHBondContact O-CG 3.28Å; W371-R374 PolarHBondContact O-N 3.25Å; R374-E378 IonicContact CZ-OE1 2.95Å; R374-E378 VanDerWaalsContact CZ-OE1 3.24Å; R374-E378 IonicContact NE-OE1 3.85Å; R374-E378 PolarHBondContact NE-OE1 3.02Å; R374-E378 VanDerWaalsContact NE-OE1 3.13Å; R374-E378 IonicContact NH2-OE1 3.43Å; R374-E378 PolarHBondContact NH2-OE1 3.41Å; R374-S379 WeakPolarHBondContact CD-OG 3.44Å; R374-S379 VanDerWaalsContact CG-OG 3.26Å; R374-S379 WeakPolarHBondContact CG-OG 3.37Å; R374-L382 VanDerWaalsContact NH2-CD1 3.32Å | ||
| 375 | P | 97.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 67.5 Ų | 67.5 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | trans | -55.5 | 146.6 | 178.3 | -25.5 | 34.5 | 0 | 0 | 0 | 113.1 | E377 E378 S379 | P375-E377 VanDerWaalsContact C-N 3.33Å; P375-E377 PolarHBondContact O-N 3.44Å; P375-E378 HydrophobicContact CB-CB 4.37Å; P375-E378 WeakPolarHBondContact CD-OE2 3.32Å; P375-E378 WeakPolarHBondContact O-CB 3.24Å; P375-E378 PolarHBondContact O-N 2.92Å; P375-E378 VanDerWaalsContact O-N 3.17Å; P375-S379 PolarHBondContact O-N 3.5Å | ||
| 376 | V | 97.9 | Very high | 94.4 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.2 | -47.9 | 178.2 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | I346 E378 S379 L380 | I346-V376 HydrophobicContact CG2-CG1 4.32Å; I346-V376 WeakPolarHBondContact O-CG1 3.13Å; V376-E378 VanDerWaalsContact C-N 3.26Å; V376-E378 PolarHBondContact O-N 3.4Å; V376-S379 WeakPolarHBondContact O-CB 3.38Å; V376-S379 PolarHBondContact O-N 2.94Å; V376-S379 VanDerWaalsContact O-N 3.09Å; V376-L380 HydrophobicContact CG1-CD1 4.06Å; V376-L380 HydrophobicContact CG1-CG 4.39Å; V376-L380 WeakPolarHBondContact O-CG 3.42Å; V376-L380 PolarHBondContact O-N 3.24Å |
| 377 | E | 97.8 | Very high | 95.7 | Very high | 137 Ų | 137 | 62.9 Ų | 62.9 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60 | -36.1 | -179.7 | -62.3 | -56.5 | 158.8 | 0 | 0 | 112.9 | P375 L380 V381 | P375-E377 VanDerWaalsContact C-N 3.33Å; P375-E377 PolarHBondContact O-N 3.44Å; E377-L380 PolarHBondContact O-N 2.88Å; E377-V381 WeakPolarHBondContact O-CG2 3.17Å; E377-V381 PolarHBondContact O-N 2.82Å |
| 378 | E | 98.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 176.4 | -167 | -173 | 144.2 | 0 | 0 | 110.8 | R374 P375 V376 L380 V381 L382 | R374-E378 IonicContact CZ-OE1 2.95Å; R374-E378 VanDerWaalsContact CZ-OE1 3.24Å; R374-E378 IonicContact NE-OE1 3.85Å; R374-E378 PolarHBondContact NE-OE1 3.02Å; R374-E378 VanDerWaalsContact NE-OE1 3.13Å; R374-E378 IonicContact NH2-OE1 3.43Å; R374-E378 PolarHBondContact NH2-OE1 3.41Å; P375-E378 HydrophobicContact CB-CB 4.37Å; P375-E378 WeakPolarHBondContact CD-OE2 3.32Å; P375-E378 WeakPolarHBondContact O-CB 3.24Å; P375-E378 PolarHBondContact O-N 2.92Å; P375-E378 VanDerWaalsContact O-N 3.17Å; V376-E378 VanDerWaalsContact C-N 3.26Å; V376-E378 PolarHBondContact O-N 3.4Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 2.91Å; E378-V381 PolarHBondContact O-N 3.31Å; E378-L382 HydrophobicContact CG-CD1 4.02Å; E378-L382 WeakPolarHBondContact O-CB 3.39Å; E378-L382 VanDerWaalsContact O-CG 3.22Å; E378-L382 WeakPolarHBondContact O-CG 3.49Å; E378-L382 PolarHBondContact O-N 2.71Å |
| 379 | S | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 176.2 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | V353 R374 P375 V376 L382 F383 | V353-S379 WeakPolarHBondContact CG2-O 3.39Å; V353-S379 PolarHBondContact N-OG 3.29Å; R374-S379 WeakPolarHBondContact CD-OG 3.44Å; R374-S379 VanDerWaalsContact CG-OG 3.26Å; R374-S379 WeakPolarHBondContact CG-OG 3.37Å; P375-S379 PolarHBondContact O-N 3.5Å; V376-S379 WeakPolarHBondContact O-CB 3.38Å; V376-S379 PolarHBondContact O-N 2.94Å; V376-S379 VanDerWaalsContact O-N 3.09Å; S379-L382 PolarHBondContact O-N 3.14Å; S379-F383 VanDerWaalsContact O-CB 3.31Å; S379-F383 WeakPolarHBondContact O-CB 3.23Å; S379-F383 PolarHBondContact O-N 3.45Å |
| 380 | L | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 176.9 | -70.8 | 174.4 | 0 | 0 | 0 | 111.8 | V343 I346 R347 V376 E377 E378 L382 F383 D384 | V343-L380 HydrophobicContact CG1-CD2 3.87Å; I346-L380 HydrophobicContact CB-CD2 4.03Å; I346-L380 HydrophobicContact CG2-CD2 3.72Å; I346-L380 HydrophobicContact CG2-CG 3.84Å; R347-L380 HydrophobicContact CG-CD1 4.07Å; R347-L380 HydrophobicContact CG-CD2 4.2Å; V376-L380 HydrophobicContact CG1-CD1 4.06Å; V376-L380 HydrophobicContact CG1-CG 4.39Å; V376-L380 WeakPolarHBondContact O-CG 3.42Å; V376-L380 PolarHBondContact O-N 3.24Å; E377-L380 PolarHBondContact O-N 2.88Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 2.91Å; L380-L382 VanDerWaalsContact C-N 3.34Å; L380-L382 PolarHBondContact O-N 3.15Å; L380-F383 PolarHBondContact O-N 2.89Å; L380-D384 PolarHBondContact O-N 2.94Å; L380-D384 VanDerWaalsContact O-N 3.09Å |
| 381 | V | 98.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 66.2 Ų | 66.2 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | E377 E378 R385 | E377-V381 WeakPolarHBondContact O-CG2 3.17Å; E377-V381 PolarHBondContact O-N 2.82Å; E378-V381 PolarHBondContact O-N 3.31Å; V381-R385 VanDerWaalsContact O-CG 3.26Å; V381-R385 WeakPolarHBondContact O-CG 3.39Å; V381-R385 PolarHBondContact O-N 2.91Å |
| 382 | L | 98.4 | Very high | 97.6 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.8 | -37.9 | -179.2 | -70.3 | 170.8 | 0 | 0 | 0 | 112.3 | V353 R374 E378 S379 L380 R385 M386 F391 | V353-L382 HydrophobicContact CB-CB 4.02Å; V353-L382 HydrophobicContact CB-CD1 4.32Å; V353-L382 HydrophobicContact CG1-CB 3.98Å; V353-L382 HydrophobicContact CG1-CD1 4.34Å; V353-L382 HydrophobicContact CG2-CB 3.88Å; R374-L382 VanDerWaalsContact NH2-CD1 3.32Å; E378-L382 HydrophobicContact CG-CD1 4.02Å; E378-L382 WeakPolarHBondContact O-CB 3.39Å; E378-L382 VanDerWaalsContact O-CG 3.22Å; E378-L382 WeakPolarHBondContact O-CG 3.49Å; E378-L382 PolarHBondContact O-N 2.71Å; S379-L382 PolarHBondContact O-N 3.14Å; L380-L382 VanDerWaalsContact C-N 3.34Å; L380-L382 PolarHBondContact O-N 3.15Å; L382-R385 WeakPolarHBondContact O-CB 3.34Å; L382-R385 PolarHBondContact O-N 3.38Å; L382-M386 VanDerWaalsContact O-CG 3.3Å; L382-M386 WeakPolarHBondContact O-CG 3.27Å; L382-M386 PolarHBondContact O-N 3.17Å; L382-F391 HydrophobicContact CD2-CE2 4.27Å; L382-F391 HydrophobicContact CD2-CZ 3.81Å |
| 383 | F | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 178.6 | -173 | -141.3 | 0 | 0 | 0 | 112.1 | Y339 A342 V343 I346 V353 S379 L380 R385 M386 R387 V398 Y414 I430 | Y339-F383 HydrophobicContact CD2-CD1 4.49Å; Y339-F383 AromaticContact CD2-CE1 3.59Å; Y339-F383 HydrophobicContact CD2-CE1 3.59Å; Y339-F383 HydrophobicContact CD2-CE2 4.47Å; Y339-F383 AromaticContact CD2-CZ 3.58Å; Y339-F383 HydrophobicContact CD2-CZ 3.58Å; Y339-F383 AromaticContact CE2-CD1 3.85Å; Y339-F383 HydrophobicContact CE2-CD1 3.85Å; Y339-F383 AromaticContact CE2-CE1 3.38Å; Y339-F383 HydrophobicContact CE2-CE1 3.38Å; Y339-F383 HydrophobicContact CE2-CE2 4.29Å; Y339-F383 HydrophobicContact CE2-CG 4.49Å; Y339-F383 AromaticContact CE2-CZ 3.64Å; Y339-F383 HydrophobicContact CE2-CZ 3.64Å; A342-F383 HydrophobicContact CB-CE1 3.81Å; A342-F383 HydrophobicContact CB-CZ 4.08Å; V343-F383 HydrophobicContact CG2-CD1 4.07Å; V343-F383 HydrophobicContact CG2-CE1 4.08Å; I346-F383 HydrophobicContact CD1-CB 4.06Å; I346-F383 HydrophobicContact CD1-CD1 3.73Å; I346-F383 HydrophobicContact CD1-CE1 4.48Å; I346-F383 HydrophobicContact CD1-CG 4.1Å; V353-F383 HydrophobicContact CG2-CB 3.96Å; S379-F383 VanDerWaalsContact O-CB 3.31Å; S379-F383 WeakPolarHBondContact O-CB 3.23Å; S379-F383 PolarHBondContact O-N 3.45Å; L380-F383 PolarHBondContact O-N 2.89Å; F383-R385 VanDerWaalsContact C-N 3.33Å; F383-R385 PolarHBondContact O-N 3.09Å; F383-M386 HydrophobicContact CD2-CB 4.44Å; F383-M386 HydrophobicContact CD2-CE 4.38Å; F383-M386 HydrophobicContact CD2-SD 4.1Å; F383-M386 WeakPolarHBondContact O-CB 3.44Å; F383-M386 PolarHBondContact O-N 3.46Å; F383-R387 PolarHBondContact O-N 3.5Å; F383-V398 HydrophobicContact CB-CG2 4.49Å; F383-V398 HydrophobicContact CD1-CG2 4.46Å; F383-V398 HydrophobicContact CD2-CG2 3.22Å; F383-V398 HydrophobicContact CE2-CG2 3.35Å; F383-V398 HydrophobicContact CG-CG2 3.83Å; F383-V398 HydrophobicContact CZ-CG2 4.04Å; F383-Y414 HydrophobicContact CE2-CD1 4.18Å; F383-Y414 HydrophobicContact CE2-CD2 4.36Å; F383-Y414 AromaticContact CE2-CG 3.96Å; F383-Y414 HydrophobicContact CE2-CG 3.96Å; F383-Y414 HydrophobicContact CZ-CD1 4.11Å; F383-Y414 AromaticContact CZ-CD2 3.98Å; F383-Y414 HydrophobicContact CZ-CD2 3.98Å; F383-Y414 HydrophobicContact CZ-CE1 4.27Å; F383-Y414 HydrophobicContact CZ-CE2 4.19Å; F383-Y414 AromaticContact CZ-CG 3.96Å; F383-Y414 HydrophobicContact CZ-CG 3.96Å; F383-I430 HydrophobicContact CD2-CD1 4.26Å; F383-I430 HydrophobicContact CE2-CD1 3.48Å; F383-I430 VanDerWaalsContact CE2-CD1 3.48Å; F383-I430 HydrophobicContact CZ-CD1 3.86Å |
| 384 | D | 98.3 | Very high | 97.4 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 32% | 0.316 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 169.9 | -179.7 | 73.4 | 0 | 0 | 0 | 111.6 | L380 M386 R387 R388 | L380-D384 PolarHBondContact O-N 2.94Å; L380-D384 VanDerWaalsContact O-N 3.09Å; D384-M386 VanDerWaalsContact C-N 3.33Å; D384-M386 PolarHBondContact O-N 2.84Å; D384-R387 WeakPolarHBondContact O-CB 3.24Å; D384-R387 PolarHBondContact O-N 3.27Å; D384-R388 WeakPolarHBondContact O-CG 3.42Å; D384-R388 PolarHBondContact O-N 3.26Å; D384-R388 VanDerWaalsContact OD2-CD 3.22Å; D384-R388 WeakPolarHBondContact OD2-CD 3.38Å; D384-R388 IonicContact OD2-NH1 3.6Å |
| 385 | R | 98.3 | Very high | 97.3 | Very high | 119 Ų | 119 | 65 Ų | 65 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 174.9 | -69.9 | 178.7 | -174.8 | -167.5 | 3.2 | 112.6 | V381 L382 F383 R388 G389 L390 F391 | V381-R385 VanDerWaalsContact O-CG 3.26Å; V381-R385 WeakPolarHBondContact O-CG 3.39Å; V381-R385 PolarHBondContact O-N 2.91Å; L382-R385 WeakPolarHBondContact O-CB 3.34Å; L382-R385 PolarHBondContact O-N 3.38Å; F383-R385 VanDerWaalsContact C-N 3.33Å; F383-R385 PolarHBondContact O-N 3.09Å; R385-R388 PolarHBondContact O-N 2.95Å; R385-G389 PolarHBondContact O-N 3.31Å; R385-L390 HydrophobicContact CB-CB 4.27Å; R385-L390 HydrophobicContact CB-CD1 3.91Å; R385-L390 HydrophobicContact CG-CD1 3.81Å; R385-L390 WeakPolarHBondContact O-CB 3.17Å; R385-L390 PolarHBondContact O-N 2.87Å; R385-L390 VanDerWaalsContact O-N 3.08Å; R385-F391 HydrophobicContact CB-CD2 4.42Å; R385-F391 HydrophobicContact CB-CE2 3.81Å |
| 386 | M | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 172.2 | -66.9 | 169 | 59.7 | 0 | 0 | 110.8 | V353 L382 F383 D384 R388 G389 F391 A396 V398 I416 C429 I430 | V353-M386 HydrophobicContact CG1-SD 3.76Å; V353-M386 HydrophobicContact CG2-SD 4.05Å; L382-M386 VanDerWaalsContact O-CG 3.3Å; L382-M386 WeakPolarHBondContact O-CG 3.27Å; L382-M386 PolarHBondContact O-N 3.17Å; F383-M386 HydrophobicContact CD2-CB 4.44Å; F383-M386 HydrophobicContact CD2-CE 4.38Å; F383-M386 HydrophobicContact CD2-SD 4.1Å; F383-M386 WeakPolarHBondContact O-CB 3.44Å; F383-M386 PolarHBondContact O-N 3.46Å; D384-M386 VanDerWaalsContact C-N 3.33Å; D384-M386 PolarHBondContact O-N 2.84Å; M386-R388 PolarHBondContact O-N 3.25Å; M386-G389 PolarHBondContact O-N 3.01Å; M386-G389 VanDerWaalsContact O-N 3.11Å; M386-F391 HydrophobicContact CB-CD2 4.41Å; M386-F391 HydrophobicContact CG-CD2 3.69Å; M386-F391 HydrophobicContact CG-CE2 4.11Å; M386-A396 HydrophobicContact CE-CB 4.18Å; M386-A396 HydrophobicContact CG-CB 3.84Å; M386-A396 HydrophobicContact SD-CB 3.75Å; M386-V398 HydrophobicContact CE-CG2 4.16Å; M386-V398 HydrophobicContact SD-CG2 4.28Å; M386-I416 HydrophobicContact CB-CD1 4.47Å; M386-I416 HydrophobicContact CB-CG1 4.46Å; M386-I416 HydrophobicContact CE-CD1 4.29Å; M386-I416 HydrophobicContact CE-CG1 4.03Å; M386-I416 HydrophobicContact CG-CD1 4.22Å; M386-C429 PolarHBondContact O-SG 3.07Å; M386-C429 VanDerWaalsContact O-SG 3.34Å; M386-I430 HydrophobicContact CB-CG2 3.86Å; M386-I430 WeakPolarHBondContact O-CG2 3.17Å |
| 387 | R | 97.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -33 | 176.8 | -175.1 | -176.5 | 175 | -155.8 | 6.2 | 112.9 | Y339 F383 D384 G389 W428 C429 I430 | Y339-R387 HydrophobicContact CE2-CB 4.26Å; Y339-R387 HydrophobicContact CE2-CG 4.35Å; F383-R387 PolarHBondContact O-N 3.5Å; D384-R387 WeakPolarHBondContact O-CB 3.24Å; D384-R387 PolarHBondContact O-N 3.27Å; R387-G389 VanDerWaalsContact C-N 3.27Å; R387-G389 PolarHBondContact O-N 3.33Å; R387-W428 HydrophobicContact CG-CZ3 4.38Å; R387-C429 PolarHBondContact O-SG 3.25Å; R387-I430 HydrophobicContact CB-CD1 3.63Å; R387-I430 HydrophobicContact CB-CG1 4.22Å; R387-I430 HydrophobicContact CG-CD1 4.01Å; R387-I430 HydrophobicContact CG-CG1 4.35Å |
| 388 | R | 97.3 | Very high | 97.3 | Very high | 173 Ų | 173 | 52.6 Ų | 52.6 | 65% | 0.653 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 4.9 | 178.7 | -68.5 | 172.3 | 62.8 | -175.9 | 0.8 | 114.1 | D384 R385 M386 L390 | D384-R388 WeakPolarHBondContact O-CG 3.42Å; D384-R388 PolarHBondContact O-N 3.26Å; D384-R388 VanDerWaalsContact OD2-CD 3.22Å; D384-R388 WeakPolarHBondContact OD2-CD 3.38Å; D384-R388 IonicContact OD2-NH1 3.6Å; R385-R388 PolarHBondContact O-N 2.95Å; M386-R388 PolarHBondContact O-N 3.25Å; R388-L390 HydrophobicContact CB-CD1 4.4Å; R388-L390 HydrophobicContact CB-CG 4.24Å |
| 389 | G | 96.7 | Very high | 97.2 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 30.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R385 M386 R387 F391 Y418 | R385-G389 PolarHBondContact O-N 3.31Å; M386-G389 PolarHBondContact O-N 3.01Å; M386-G389 VanDerWaalsContact O-N 3.11Å; R387-G389 VanDerWaalsContact C-N 3.27Å; R387-G389 PolarHBondContact O-N 3.33Å; G389-F391 VanDerWaalsContact C-N 3.34Å; G389-Y418 VanDerWaalsContact C-OH 3.23Å; G389-Y418 WeakPolarHBondContact CA-OH 3.26Å; G389-Y418 PolarHBondContact O-OH 3.44Å; G389-Y418 VanDerWaalsContact O-OH 3.13Å |
| 390 | L | 97.6 | Very high | 97.1 | Very high | 103 Ų | 103 | 49.5 Ų | 49.5 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | trans | -90.5 | 6.2 | -178.3 | -60.7 | 176.6 | 0 | 0 | 0 | 114.2 | R385 R388 | R385-L390 HydrophobicContact CB-CB 4.27Å; R385-L390 HydrophobicContact CB-CD1 3.91Å; R385-L390 HydrophobicContact CG-CD1 3.81Å; R385-L390 WeakPolarHBondContact O-CB 3.17Å; R385-L390 PolarHBondContact O-N 2.87Å; R385-L390 VanDerWaalsContact O-N 3.08Å; R388-L390 HydrophobicContact CB-CD1 4.4Å; R388-L390 HydrophobicContact CB-CG 4.24Å | ||
| 391 | F | 97.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 17% | 0.167 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -134.2 | 141.8 | -179.5 | -71.6 | -72.3 | 0 | 0 | 0 | 110.1 | L382 R385 M386 G389 E395 A396 I416 Y418 | L382-F391 HydrophobicContact CD2-CE2 4.27Å; L382-F391 HydrophobicContact CD2-CZ 3.81Å; R385-F391 HydrophobicContact CB-CD2 4.42Å; R385-F391 HydrophobicContact CB-CE2 3.81Å; M386-F391 HydrophobicContact CB-CD2 4.41Å; M386-F391 HydrophobicContact CG-CD2 3.69Å; M386-F391 HydrophobicContact CG-CE2 4.11Å; G389-F391 VanDerWaalsContact C-N 3.34Å; F391-E395 HydrophobicContact CB-CB 4.29Å; F391-E395 HydrophobicContact CD1-CB 4.4Å; F391-A396 HydrophobicContact CB-CB 4.48Å; F391-A396 HydrophobicContact CD1-CB 4.46Å; F391-A396 HydrophobicContact CD2-CB 4.32Å; F391-A396 HydrophobicContact CG-CB 4.19Å; F391-I416 HydrophobicContact CB-CD1 3.5Å; F391-I416 VanDerWaalsContact CB-CD1 3.5Å; F391-I416 HydrophobicContact CG-CD1 4.49Å; F391-Y418 WeakPolarHBondContact O-CE2 3.27Å; F391-Y418 PolarHBondContact O-OH 3.19Å |
| 392 | A | 96.7 | Very high | 96.6 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | trans | -71.4 | 164.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G394 E395 | A392-G394 PolarHBondContact O-N 3.44Å; A392-E395 VanDerWaalsContact CB-CD 3.47Å; A392-E395 HydrophobicContact CB-CG 3.86Å; A392-E395 PolarHBondContact N-OE2 3.16Å; A392-E395 WeakPolarHBondContact O-CB 3.4Å; A392-E395 PolarHBondContact O-N 3.17Å; A392-E395 VanDerWaalsContact O-N 3.11Å | ||
| 393 | E | 95.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 51 Ų | 51 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 128.6 | 176.1 | -60 | -166.8 | 170.6 | 0 | 0 | 110.9 | E395 I416 K417 Y418 | E393-E395 VanDerWaalsContact C-N 3.29Å; E393-E395 PolarHBondContact O-N 2.96Å; E393-I416 HydrophobicContact CG-CG2 4.45Å; E393-K417 VanDerWaalsContact OE1-CA 3.31Å; E393-K417 WeakPolarHBondContact OE1-CA 3.02Å; E393-Y418 HydrophobicContact CG-CD2 3.71Å; E393-Y418 HydrophobicContact CG-CE2 4.23Å; E393-Y418 PolarHBondContact OE1-N 3.3Å |
| 394 | G | 91.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -3.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | A392 | A392-G394 PolarHBondContact O-N 3.44Š|
| 395 | E | 95.3 | Very high | 94.7 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -26.2 | 175.5 | -72.5 | -173.2 | 166.7 | 0 | 0 | 113.6 | H355 F391 A392 E393 | H355-E395 PolarHBondContact ND1-O 3.5Å; F391-E395 HydrophobicContact CB-CB 4.29Å; F391-E395 HydrophobicContact CD1-CB 4.4Å; A392-E395 VanDerWaalsContact CB-CD 3.47Å; A392-E395 HydrophobicContact CB-CG 3.86Å; A392-E395 PolarHBondContact N-OE2 3.16Å; A392-E395 WeakPolarHBondContact O-CB 3.4Å; A392-E395 PolarHBondContact O-N 3.17Å; A392-E395 VanDerWaalsContact O-N 3.11Å; E393-E395 VanDerWaalsContact C-N 3.29Å; E393-E395 PolarHBondContact O-N 2.96Å |
| 396 | A | 97 | Very high | 93.8 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | trans | -145.8 | 146.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V353 C354 M386 F391 I416 | V353-A396 HydrophobicContact CG1-CB 4.19Å; C354-A396 CarbonylContact O-C 3.58Å; C354-A396 WeakPolarHBondContact O-CA 3.18Å; M386-A396 HydrophobicContact CE-CB 4.18Å; M386-A396 HydrophobicContact CG-CB 3.84Å; M386-A396 HydrophobicContact SD-CB 3.75Å; F391-A396 HydrophobicContact CB-CB 4.48Å; F391-A396 HydrophobicContact CD1-CB 4.46Å; F391-A396 HydrophobicContact CD2-CB 4.32Å; F391-A396 HydrophobicContact CG-CB 4.19Å; A396-I416 HydrophobicContact CB-CD1 4.06Å | ||
| 397 | T | 97.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.3 | 174.8 | 55.4 | 0 | 0 | 0 | 0 | 110 | V353 C354 V412 Y414 | V353-T397 CarbonylContact C-O 3.55Å; V353-T397 WeakPolarHBondContact CA-O 3.29Å; C354-T397 PolarHBondContact N-O 2.99Å; C354-T397 PolarHBondContact O-N 3.43Å; C354-T397 PolarHBondContact O-OG1 2.95Å; T397-V412 HydrophobicContact CG2-CG1 4.25Å; T397-Y414 WeakPolarHBondContact CA-O 3.47Å |
| 398 | V | 98.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.5 | 163.8 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | I346 A351 V353 F383 M386 V412 A413 Y414 | I346-V398 HydrophobicContact CD1-CG1 4.39Å; A351-V398 HydrophobicContact CB-CG1 4.14Å; V353-V398 HydrophobicContact CG2-CG2 4.33Å; F383-V398 HydrophobicContact CB-CG2 4.49Å; F383-V398 HydrophobicContact CD1-CG2 4.46Å; F383-V398 HydrophobicContact CD2-CG2 3.22Å; F383-V398 HydrophobicContact CE2-CG2 3.35Å; F383-V398 HydrophobicContact CG-CG2 3.83Å; F383-V398 HydrophobicContact CZ-CG2 4.04Å; M386-V398 HydrophobicContact CE-CG2 4.16Å; M386-V398 HydrophobicContact SD-CG2 4.28Å; V398-V412 CarbonylContact O-C 3.1Å; V398-A413 HydrophobicContact CB-CB 4.49Å; V398-A413 HydrophobicContact CG1-CB 4.31Å; V398-A413 PolarHBondContact O-N 2.86Å; V398-Y414 HydrophobicContact CB-CD2 4.46Å; V398-Y414 PolarHBondContact N-O 3.17Å; V398-Y414 VanDerWaalsContact N-O 3.17Å; V398-Y414 PolarHBondContact O-N 3.49Å |
| 399 | R | 96.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.4 | 177.8 | -62.9 | 179.1 | 70.2 | 179.4 | 1.3 | 110.2 | A351 Y352 C354 M409 D410 P411 V412 | A351-R399 CarbonylContact C-O 3.59Å; A351-R399 WeakPolarHBondContact CA-O 3.29Å; A351-R399 WeakPolarHBondContact CB-O 3.33Å; Y352-R399 HydrophobicContact CE1-CB 4.11Å; Y352-R399 HydrophobicContact CE2-CB 4.32Å; Y352-R399 PolarHBondContact N-O 2.91Å; Y352-R399 PolarHBondContact O-N 3.24Å; C354-R399 VanDerWaalsContact CB-CD 3.44Å; C354-R399 HydrophobicContact CB-CG 3.96Å; R399-M409 PolarHBondContact NH2-O 2.9Å; R399-D410 HydrophobicContact CB-CB 4.22Å; R399-D410 PolarHBondContact NE-O 3.06Å; R399-D410 PolarHBondContact NH2-O 3.12Å; R399-D410 VanDerWaalsContact NH2-O 3.1Å; R399-P411 WeakPolarHBondContact CA-O 3.24Å; R399-V412 HydrophobicContact CG-CG2 4.18Å |
| 400 | M | 96.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 141.1 | 169.5 | -63.1 | -177.4 | -82.7 | 0 | 0 | 108.6 | L345 I402 D410 P411 A413 Y436 W465 L466 | L345-M400 HydrophobicContact CD2-CG 4.11Å; M400-I402 HydrophobicContact CB-CG2 4.12Å; M400-I402 PolarHBondContact O-N 2.92Å; M400-D410 CarbonylContact O-C 3.51Å; M400-D410 WeakPolarHBondContact O-CA 3.49Å; M400-D410 WeakPolarHBondContact O-CB 3.31Å; M400-P411 HydrophobicContact CB-CG 4.25Å; M400-P411 HydrophobicContact CE-CB 3.8Å; M400-P411 HydrophobicContact CE-CG 3.52Å; M400-P411 PolarHBondContact N-O 2.73Å; M400-A413 HydrophobicContact CG-CB 4.08Å; M400-Y436 HydrophobicContact SD-CD2 4.24Å; M400-W465 HydrophobicContact CB-CH2 3.89Å; M400-W465 HydrophobicContact CB-CZ3 3.79Å; M400-W465 HydrophobicContact CG-CH2 4.4Å; M400-W465 HydrophobicContact CG-CZ3 3.99Å; M400-W465 HydrophobicContact SD-CE3 4.42Å; M400-W465 HydrophobicContact SD-CZ3 3.72Å; M400-L466 HydrophobicContact SD-CD1 4Å; M400-L466 HydrophobicContact SD-CD2 4.29Å |
| 401 | K | 95.4 | Very high | 91.4 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 21% | 0.213 | 25% | 0.254 | C | S | . | . | trans | -96.3 | 79 | -176.6 | -168.1 | 173.8 | 178.4 | 166.7 | 0 | 110 | G349 H350 Y352 R372 E373 D410 | G349-K401 WeakPolarHBondContact O-CD 3.26Å; H350-K401 WeakPolarHBondContact O-CB 3.5Å; H350-K401 PolarHBondContact O-N 3.08Å; Y352-K401 HydrophobicContact CD1-CB 4.15Å; Y352-K401 HydrophobicContact CD1-CD 4.49Å; Y352-K401 HydrophobicContact CD1-CG 4.38Å; Y352-K401 HydrophobicContact CE1-CB 4.31Å; Y352-K401 HydrophobicContact CE1-CG 4.4Å; R372-K401 HydrophobicContact CG-CD 4.44Å; R372-K401 HydrophobicContact CG-CG 4.29Å; R372-K401 WeakPolarHBondContact O-CE 3.36Å; R372-K401 PolarHBondContact O-NZ 3.1Å; E373-K401 WeakPolarHBondContact OE1-CE 3.39Å; E373-K401 IonicContact OE1-NZ 3.51Å; E373-K401 PolarHBondContact OE1-NZ 3.36Å; E373-K401 IonicContact OE2-NZ 3.76Å; E373-K401 PolarHBondContact OE2-NZ 3.05Å; K401-D410 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 402 | I | 92.3 | Very high | 91.3 | Very high | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.108 | 25% | 0.252 | C | S | . | . | trans | -152.8 | 150.2 | -173.4 | -169.5 | -164.5 | 0 | 0 | 0 | 110 | M400 D410 P411 W465 | M400-I402 HydrophobicContact CB-CG2 4.12Å; M400-I402 PolarHBondContact O-N 2.92Å; I402-D410 PolarHBondContact N-OD1 3Å; I402-D410 WeakPolarHBondContact O-CA 2.94Å; I402-D410 PolarHBondContact O-N 3.25Å; I402-D410 VanDerWaalsContact O-OD1 3.09Å; I402-P411 HydrophobicContact CG2-CG 3.98Å; I402-W465 HydrophobicContact CB-CD2 4.23Å; I402-W465 HydrophobicContact CB-CH2 4.36Å; I402-W465 HydrophobicContact CB-CZ2 3.98Å; I402-W465 HydrophobicContact CD1-CB 3.77Å; I402-W465 HydrophobicContact CD1-CD2 3.55Å; I402-W465 HydrophobicContact CD1-CE3 4.11Å; I402-W465 HydrophobicContact CD1-CG 3.36Å; I402-W465 HydrophobicContact CG1-CD2 4.13Å; I402-W465 HydrophobicContact CG1-CG 4.18Å; I402-W465 HydrophobicContact CG2-CE3 4.4Å; I402-W465 HydrophobicContact CG2-CH2 4.43Å; I402-W465 HydrophobicContact CG2-CZ3 4.37Å | ||
| 403 | V | 89.1 | Confident | 91.3 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -101.6 | 121 | 163.9 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | M409 | V403-M409 HydrophobicContact CG1-CG 4.35Å; V403-M409 HydrophobicContact CG2-CG 4.18Å |
| 404 | M | 84.2 | Confident | 91.4 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.039 | 21% | 0.211 | C | C | . | . | trans | -71.6 | 162.8 | 177 | -63.2 | -177.2 | 64.6 | 0 | 0 | 111.2 | D406 G407 K408 P411 R459 | M404-D406 VanDerWaalsContact CB-OD1 3.24Å; M404-D406 WeakPolarHBondContact CB-OD1 3.41Å; M404-D406 PolarHBondContact O-N 3.33Å; M404-G407 WeakPolarHBondContact O-CA 3.19Å; M404-G407 PolarHBondContact O-N 3.26Å; M404-K408 HydrophobicContact CB-CB 4.21Å; M404-K408 WeakPolarHBondContact CB-O 3.41Å; M404-K408 HydrophobicContact CG-CB 4.44Å; M404-K408 WeakPolarHBondContact CG-O 3.37Å; M404-K408 PolarHBondContact N-O 3.24Å; M404-K408 HydrophobicContact SD-CB 4.09Å; M404-K408 HydrophobicContact SD-CD 4Å; M404-K408 HydrophobicContact SD-CG 4.31Å; M404-P411 HydrophobicContact CG-CG 4.24Å; M404-P411 HydrophobicContact SD-CB 4.12Å; M404-P411 HydrophobicContact SD-CG 3.93Å; M404-R459 HydrophobicContact CE-CB 4.45Å; M404-R459 HydrophobicContact CE-CG 4.17Å | ||
| 405 | E | 81.3 | Confident | 91.6 | Very high | 143 Ų | 143 | 41.4 Ų | 41.4 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.2 | 180 | -77 | 172.1 | 157 | 0 | 0 | 113.7 | G407 S461 | E405-G407 PolarHBondContact O-N 2.89Å; E405-S461 VanDerWaalsContact CG-OG 3.32Å; E405-S461 WeakPolarHBondContact CG-OG 3.49Å; E405-S461 WeakPolarHBondContact OE1-CB 3.38Å; E405-S461 WeakPolarHBondContact OE2-CB 3.2Å; E405-S461 PolarHBondContact OE2-OG 3.1Å |
| 406 | D | 80.3 | Confident | 91.7 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 53% | 0.529 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.4 | 175.3 | 68.1 | -8.5 | 0 | 0 | 0 | 113.2 | M404 K408 | M404-D406 VanDerWaalsContact CB-OD1 3.24Å; M404-D406 WeakPolarHBondContact CB-OD1 3.41Å; M404-D406 PolarHBondContact O-N 3.33Å; D406-K408 VanDerWaalsContact C-N 3.27Å; D406-K408 PolarHBondContact O-N 3.39Å; D406-K408 WeakPolarHBondContact OD1-CB 3.4Å; D406-K408 PolarHBondContact OD1-N 3.14Å |
| 407 | G | 82.5 | Confident | 91.6 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 49% | 0.485 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 82.4 | -2.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | M404 E405 M409 | M404-G407 WeakPolarHBondContact O-CA 3.19Å; M404-G407 PolarHBondContact O-N 3.26Å; E405-G407 PolarHBondContact O-N 2.89Å; G407-M409 PolarHBondContact O-N 3.18Å |
| 408 | K | 83.1 | Confident | 91.6 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 46% | 0.461 | 22% | 0.222 | S | C | . | . | trans | -65.5 | 120.6 | 178 | -172.7 | 178.1 | 178.7 | -175.6 | 0 | 110.2 | M404 D406 | M404-K408 HydrophobicContact CB-CB 4.21Å; M404-K408 WeakPolarHBondContact CB-O 3.41Å; M404-K408 HydrophobicContact CG-CB 4.44Å; M404-K408 WeakPolarHBondContact CG-O 3.37Å; M404-K408 PolarHBondContact N-O 3.24Å; M404-K408 HydrophobicContact SD-CB 4.09Å; M404-K408 HydrophobicContact SD-CD 4Å; M404-K408 HydrophobicContact SD-CG 4.31Å; D406-K408 VanDerWaalsContact C-N 3.27Å; D406-K408 PolarHBondContact O-N 3.39Å; D406-K408 WeakPolarHBondContact OD1-CB 3.4Å; D406-K408 PolarHBondContact OD1-N 3.14Å | ||
| 409 | M | 87.5 | Confident | 91.4 | Very high | 56 Ų | 56 | 48 Ų | 48 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -88 | 136.4 | -179.5 | -65.7 | -164.1 | -68.8 | 0 | 0 | 112.3 | P368 R399 V403 G407 | P368-M409 HydrophobicContact CB-CE 4.14Å; R399-M409 PolarHBondContact NH2-O 2.9Å; V403-M409 HydrophobicContact CG1-CG 4.35Å; V403-M409 HydrophobicContact CG2-CG 4.18Å; G407-M409 PolarHBondContact O-N 3.18Å |
| 410 | D | 92.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 47.8 | 71 | 166.7 | -60.1 | -17.4 | 0 | 0 | 0 | 113.7 | Y352 R372 R399 M400 K401 I402 | Y352-D410 HydrophobicContact CE1-CB 4.2Å; Y352-D410 WeakPolarHBondContact CE1-OD2 3.46Å; Y352-D410 WeakPolarHBondContact OH-CB 3.48Å; Y352-D410 PolarHBondContact OH-OD2 3.32Å; R372-D410 VanDerWaalsContact CD-OD2 3.24Å; R372-D410 WeakPolarHBondContact CD-OD2 3.49Å; R372-D410 IonicContact CZ-OD1 3.88Å; R372-D410 IonicContact NE-OD1 2.73Å; R372-D410 PolarHBondContact NE-OD1 3.49Å; R372-D410 IonicContact NE-OD2 3.75Å; R372-D410 PolarHBondContact NE-OD2 2.99Å; R372-D410 IonicContact NH2-OD1 2.77Å; R372-D410 PolarHBondContact NH2-OD1 3.42Å; R399-D410 HydrophobicContact CB-CB 4.22Å; R399-D410 PolarHBondContact NE-O 3.06Å; R399-D410 PolarHBondContact NH2-O 3.12Å; R399-D410 VanDerWaalsContact NH2-O 3.1Å; M400-D410 CarbonylContact O-C 3.51Å; M400-D410 WeakPolarHBondContact O-CA 3.49Å; M400-D410 WeakPolarHBondContact O-CB 3.31Å; K401-D410 WeakPolarHBondContact CA-OD1 3.33Å; I402-D410 PolarHBondContact N-OD1 3Å; I402-D410 WeakPolarHBondContact O-CA 2.94Å; I402-D410 PolarHBondContact O-N 3.25Å; I402-D410 VanDerWaalsContact O-OD1 3.09Å |
| 411 | P | 91.2 | Very high | 91 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | trans | -57.7 | 143.8 | 178.6 | 21.5 | -31.3 | 0 | 0 | 0 | 112.3 | R399 M400 I402 M404 A413 | R399-P411 WeakPolarHBondContact CA-O 3.24Å; M400-P411 HydrophobicContact CB-CG 4.25Å; M400-P411 HydrophobicContact CE-CB 3.8Å; M400-P411 HydrophobicContact CE-CG 3.52Å; M400-P411 PolarHBondContact N-O 2.73Å; I402-P411 HydrophobicContact CG2-CG 3.98Å; M404-P411 HydrophobicContact CG-CG 4.24Å; M404-P411 HydrophobicContact SD-CB 4.12Å; M404-P411 HydrophobicContact SD-CG 3.93Å; P411-A413 PolarHBondContact O-N 2.84Å | ||
| 412 | V | 93.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.6 | -179.8 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | T397 V398 R399 Y414 R415 T433 | T397-V412 HydrophobicContact CG2-CG1 4.25Å; V398-V412 CarbonylContact O-C 3.1Å; R399-V412 HydrophobicContact CG-CG2 4.18Å; V412-Y414 VanDerWaalsContact CG1-O 3.32Å; V412-Y414 WeakPolarHBondContact CG1-O 3.13Å; V412-R415 HydrophobicContact CG1-CG 3.79Å; V412-T433 HydrophobicContact CB-CG2 4.29Å; V412-T433 HydrophobicContact CG1-CG2 3.91Å; V412-T433 WeakPolarHBondContact O-CB 3.44Å; V412-T433 VanDerWaalsContact O-CG2 3.25Å; V412-T433 WeakPolarHBondContact O-CG2 3.46Å; V412-T433 PolarHBondContact O-OG1 3.09Å |
| 413 | A | 96.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -39.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | V398 M400 P411 P432 T433 Y436 | V398-A413 HydrophobicContact CB-CB 4.49Å; V398-A413 HydrophobicContact CG1-CB 4.31Å; V398-A413 PolarHBondContact O-N 2.86Å; M400-A413 HydrophobicContact CG-CB 4.08Å; P411-A413 PolarHBondContact O-N 2.84Å; A413-P432 CarbonylContact O-C 3.57Å; A413-P432 WeakPolarHBondContact O-CA 3.36Å; A413-T433 PolarHBondContact O-N 2.84Å; A413-T433 PolarHBondContact O-OG1 2.85Å; A413-Y436 HydrophobicContact CB-CD2 3.73Å; A413-Y436 HydrophobicContact CB-CE2 4.28Å; A413-Y436 HydrophobicContact CB-CG 4.09Å |
| 414 | Y | 98.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.9 | 179.8 | -80 | -103.2 | 0 | 0 | 0 | 113 | L338 Y339 A342 F383 T397 V398 V412 I430 Y431 P432 Y436 | L338-Y414 WeakPolarHBondContact CB-OH 3.45Å; L338-Y414 PolarHBondContact O-OH 3.47Å; Y339-Y414 WeakPolarHBondContact CA-OH 3.38Å; Y339-Y414 PolarHBondContact N-OH 3.37Å; A342-Y414 HydrophobicContact CB-CD2 4.14Å; A342-Y414 HydrophobicContact CB-CE2 3.5Å; F383-Y414 HydrophobicContact CE2-CD1 4.18Å; F383-Y414 HydrophobicContact CE2-CD2 4.36Å; F383-Y414 AromaticContact CE2-CG 3.96Å; F383-Y414 HydrophobicContact CE2-CG 3.96Å; F383-Y414 HydrophobicContact CZ-CD1 4.11Å; F383-Y414 AromaticContact CZ-CD2 3.98Å; F383-Y414 HydrophobicContact CZ-CD2 3.98Å; F383-Y414 HydrophobicContact CZ-CE1 4.27Å; F383-Y414 HydrophobicContact CZ-CE2 4.19Å; F383-Y414 AromaticContact CZ-CG 3.96Å; F383-Y414 HydrophobicContact CZ-CG 3.96Å; T397-Y414 WeakPolarHBondContact CA-O 3.47Å; V398-Y414 HydrophobicContact CB-CD2 4.46Å; V398-Y414 PolarHBondContact N-O 3.17Å; V398-Y414 VanDerWaalsContact N-O 3.17Å; V398-Y414 PolarHBondContact O-N 3.49Å; V412-Y414 VanDerWaalsContact CG1-O 3.32Å; V412-Y414 WeakPolarHBondContact CG1-O 3.13Å; Y414-I430 HydrophobicContact CD1-CB 4.21Å; Y414-I430 HydrophobicContact CD1-CD1 4.23Å; Y414-I430 HydrophobicContact CD1-CG1 4.38Å; Y414-I430 HydrophobicContact CE1-CD1 4.47Å; Y414-Y431 WeakPolarHBondContact CA-O 3.43Å; Y414-P432 HydrophobicContact CD1-CB 4.34Å; Y414-P432 HydrophobicContact CE1-CB 3.86Å; Y414-P432 HydrophobicContact CE1-CG 4.25Å; Y414-P432 HydrophobicContact CE2-CB 4.02Å; Y414-Y436 HydrophobicContact CE2-CD1 4.05Å; Y414-Y436 AromaticContact CE2-CE1 3.74Å; Y414-Y436 HydrophobicContact CE2-CE1 3.74Å |
| 415 | R | 96.6 | Very high | 91.2 | Very high | 114 Ų | 114 | 54.3 Ų | 54.3 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 153.1 | 173.3 | -61.2 | -179.7 | -175.5 | -84.8 | -1.1 | 110.6 | V412 I430 Y431 T433 | V412-R415 HydrophobicContact CG1-CG 3.79Å; R415-I430 CarbonylContact O-C 3.58Å; R415-I430 VanDerWaalsContact O-CA 3.31Å; R415-I430 WeakPolarHBondContact O-CA 3.34Å; R415-Y431 PolarHBondContact N-O 3.03Å; R415-Y431 PolarHBondContact O-N 3.36Å; R415-T433 HydrophobicContact CG-CG2 4.3Å |
| 416 | I | 96.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.3 | 172.6 | -59.2 | 161.9 | 0 | 0 | 0 | 108.8 | M386 F391 E393 A396 Y418 C429 I430 | M386-I416 HydrophobicContact CB-CD1 4.47Å; M386-I416 HydrophobicContact CB-CG1 4.46Å; M386-I416 HydrophobicContact CE-CD1 4.29Å; M386-I416 HydrophobicContact CE-CG1 4.03Å; M386-I416 HydrophobicContact CG-CD1 4.22Å; F391-I416 HydrophobicContact CB-CD1 3.5Å; F391-I416 VanDerWaalsContact CB-CD1 3.5Å; F391-I416 HydrophobicContact CG-CD1 4.49Å; E393-I416 HydrophobicContact CG-CG2 4.45Å; A396-I416 HydrophobicContact CB-CD1 4.06Å; I416-Y418 HydrophobicContact CG2-CD2 4.26Å; I416-Y418 HydrophobicContact CG2-CE2 3.65Å; I416-C429 VanDerWaalsContact CA-O 3.31Å; I416-C429 WeakPolarHBondContact CA-O 3.42Å; I416-C429 WeakPolarHBondContact CG2-O 3.48Å; I416-I430 HydrophobicContact CG1-CG2 4.02Å |
| 417 | K | 95.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 27% | 0.274 | 29% | 0.287 | S | S | . | . | trans | -143.3 | 137.1 | 169.3 | -65.4 | -172 | 172.3 | -164.4 | 0 | 109.2 | N302 P303 E393 C429 Y431 | N302-K417 PolarHBondContact OD1-NZ 2.96Å; P303-K417 HydrophobicContact CG-CB 3.83Å; P303-K417 HydrophobicContact CG-CD 3.72Å; P303-K417 HydrophobicContact CG-CG 4.41Å; E393-K417 VanDerWaalsContact OE1-CA 3.31Å; E393-K417 WeakPolarHBondContact OE1-CA 3.02Å; K417-C429 PolarHBondContact N-O 2.97Å; K417-C429 CarbonylContact O-C 3.58Å; K417-C429 WeakPolarHBondContact O-CA 3.28Å; K417-Y431 HydrophobicContact CB-CD2 3.83Å; K417-Y431 HydrophobicContact CB-CE2 3.97Å; K417-Y431 HydrophobicContact CG-CD2 4.48Å; K417-Y431 WeakPolarHBondContact O-CE2 3.4Å | ||
| 418 | Y | 95.6 | Very high | 93.2 | Very high | 100 Ų | 100 | 52 Ų | 52 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | trans | -104.5 | -2.3 | 179 | -70.2 | -71.1 | 0 | 0 | 0 | 113.5 | G389 F391 E393 I416 A420 C429 | G389-Y418 VanDerWaalsContact C-OH 3.23Å; G389-Y418 WeakPolarHBondContact CA-OH 3.26Å; G389-Y418 PolarHBondContact O-OH 3.44Å; G389-Y418 VanDerWaalsContact O-OH 3.13Å; F391-Y418 WeakPolarHBondContact O-CE2 3.27Å; F391-Y418 PolarHBondContact O-OH 3.19Å; E393-Y418 HydrophobicContact CG-CD2 3.71Å; E393-Y418 HydrophobicContact CG-CE2 4.23Å; E393-Y418 PolarHBondContact OE1-N 3.3Å; I416-Y418 HydrophobicContact CG2-CD2 4.26Å; I416-Y418 HydrophobicContact CG2-CE2 3.65Å; Y418-A420 PolarHBondContact O-N 3.08Å; Y418-C429 HydrophobicContact CD1-CB 3.8Å; Y418-C429 HydrophobicContact CE1-CB 3.7Å | ||
| 419 | T | 93.9 | Very high | 93.9 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -59.5 | 126.8 | 167.5 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | P303 H421 | P303-T419 HydrophobicContact CB-CG2 4.46Å; P303-T419 VanDerWaalsContact CB-O 3.25Å; P303-T419 WeakPolarHBondContact CB-O 3.37Å; P303-T419 WeakPolarHBondContact O-CG2 3.38Å; T419-H421 PolarHBondContact O-N 3.21Å |
| 420 | A | 91.9 | Very high | 94.4 | Very high | 51 Ų | 51 | 45 Ų | 45 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 136.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y418 D426 | Y418-A420 PolarHBondContact O-N 3.08Å; A420-D426 VanDerWaalsContact CB-OD1 3.24Å; A420-D426 WeakPolarHBondContact CB-OD1 3.35Å |
| 421 | H | 92.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 137.7 | 177.5 | -173.5 | -72.9 | 0 | 0 | 0 | 110.8 | D300 P303 F335 T419 R423 T424 G425 Y431 | D300-H421 PolarHBondContact O-NE2 3.01Å; D300-H421 IonicContact OD2-CE1 2.76Å; D300-H421 PolarHBondContact OD2-CE1 2.81Å; D300-H421 IonicContact OD2-NE2 3.44Å; P303-H421 HydrophobicContact CB-CB 4.23Å; F335-H421 AromaticContact CE2-CD2 3.66Å; F335-H421 AromaticContact CE2-NE2 3.49Å; F335-H421 WeakPolarHBondContact CE2-NE2 3.3Å; F335-H421 AromaticContact CZ-CD2 3.89Å; F335-H421 AromaticContact CZ-NE2 3.51Å; T419-H421 PolarHBondContact O-N 3.21Å; H421-R423 VanDerWaalsContact C-N 3.35Å; H421-R423 PolarHBondContact ND1-N 2.88Å; H421-R423 PolarHBondContact O-N 2.52Å; H421-T424 VanDerWaalsContact CB-OG1 3.29Å; H421-T424 WeakPolarHBondContact CB-OG1 3.43Å; H421-T424 VanDerWaalsContact CG-OG1 3.24Å; H421-T424 PolarHBondContact ND1-N 2.98Å; H421-T424 PolarHBondContact ND1-OG1 3.02Å; H421-G425 PolarHBondContact N-O 2.91Å; H421-G425 VanDerWaalsContact O-CA 3.24Å; H421-G425 WeakPolarHBondContact O-CA 3.24Å; H421-G425 PolarHBondContact O-N 2.87Å; H421-Y431 HydrophobicContact CB-CE1 4.11Å; H421-Y431 AromaticContact CD2-CE1 3.62Å |
| 422 | H | 88.3 | Confident | 95 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -41.8 | -174.7 | 78 | 108.9 | 0 | 0 | 0 | 113.8 | D300 E306 | D300-H422 WeakPolarHBondContact CB-NE2 3.38Å; D300-H422 IonicContact OD2-CE1 3.37Å; D300-H422 IonicContact OD2-NE2 3.89Å; D300-H422 PolarHBondContact OD2-NE2 2.85Å; E306-H422 HydrophobicContact CB-CB 4.23Å; E306-H422 HydrophobicContact CG-CB 4.31Å; E306-H422 IonicContact OE1-CD2 3.93Å; E306-H422 PolarHBondContact OE1-CD2 2.87Å; E306-H422 IonicContact OE1-CE1 2.67Å; E306-H422 IonicContact OE1-CG 3.05Å; E306-H422 IonicContact OE1-ND1 2.88Å; E306-H422 IonicContact OE1-NE2 3.65Å; E306-H422 PolarHBondContact OE1-NE2 2.69Å; E306-H422 IonicContact OE2-CD2 3.59Å; E306-H422 IonicContact OE2-CE1 2.77Å; E306-H422 PolarHBondContact OE2-CE1 2.8Å; E306-H422 IonicContact OE2-CG 3.93Å; E306-H422 VanDerWaalsContact OE2-CG 3.32Å; E306-H422 IonicContact OE2-ND1 3.37Å; E306-H422 PolarHBondContact OE2-ND1 3.39Å; E306-H422 IonicContact OE2-NE2 3.47Å |
| 423 | R | 90.6 | Very high | 95 | Very high | 116 Ų | 116 | 45.3 Ų | 45.3 | 44% | 0.438 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -47.3 | 174.6 | -78 | 164.4 | 77.2 | 86.5 | 4.1 | 116.1 | D300 H330 S332 D333 H421 | D300-R423 WeakPolarHBondContact OD2-CD 3.07Å; H330-R423 VanDerWaalsContact CD2-CD 3.47Å; H330-R423 WeakPolarHBondContact CD2-CD 3.36Å; H330-R423 VanDerWaalsContact CE1-CZ 3.49Å; H330-R423 PolarHBondContact CE1-NH1 2.75Å; H330-R423 VanDerWaalsContact CG-CZ 3.49Å; H330-R423 VanDerWaalsContact ND1-CZ 3.3Å; H330-R423 PolarHBondContact ND1-NH1 3.08Å; H330-R423 PolarHBondContact ND1-NH2 3.4Å; H330-R423 PolarHBondContact NE2-NH1 3.06Å; H330-R423 VanDerWaalsContact NE2-NH1 3.18Å; S332-R423 PolarHBondContact OG-NE 3.02Å; D333-R423 IonicContact OD1-CZ 3.16Å; D333-R423 IonicContact OD1-NE 2.79Å; D333-R423 IonicContact OD1-NH2 3.24Å; D333-R423 PolarHBondContact OD1-NH2 3.15Å; D333-R423 IonicContact OD2-NH2 2.8Å; H421-R423 VanDerWaalsContact C-N 3.35Å; H421-R423 PolarHBondContact ND1-N 2.88Å; H421-R423 PolarHBondContact O-N 2.52Å |
| 424 | T | 93.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.4 | -171.2 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | F335 H421 D426 A427 | F335-T424 HydrophobicContact CD2-CG2 4.14Å; F335-T424 HydrophobicContact CE2-CG2 4.36Å; H421-T424 VanDerWaalsContact CB-OG1 3.29Å; H421-T424 WeakPolarHBondContact CB-OG1 3.43Å; H421-T424 VanDerWaalsContact CG-OG1 3.24Å; H421-T424 PolarHBondContact ND1-N 2.98Å; H421-T424 PolarHBondContact ND1-OG1 3.02Å; T424-D426 PolarHBondContact O-N 3.42Å; T424-A427 WeakPolarHBondContact O-CB 3.37Å; T424-A427 PolarHBondContact O-N 3.05Å; T424-A427 VanDerWaalsContact O-N 3.16Å |
| 425 | G | 93 | Very high | 94.3 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | 56.7 | -132 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H421 | H421-G425 PolarHBondContact N-O 2.91Å; H421-G425 VanDerWaalsContact O-CA 3.24Å; H421-G425 WeakPolarHBondContact O-CA 3.24Å; H421-G425 PolarHBondContact O-N 2.87Å |
| 426 | D | 94.7 | Very high | 94.3 | Very high | 135 Ų | 135 | 44.7 Ų | 44.7 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 15.1 | 179.2 | -56.4 | -40.2 | 0 | 0 | 0 | 112.8 | A420 T424 W428 | A420-D426 VanDerWaalsContact CB-OD1 3.24Å; A420-D426 WeakPolarHBondContact CB-OD1 3.35Å; T424-D426 PolarHBondContact O-N 3.42Å; D426-W428 PolarHBondContact O-N 2.86Å |
| 427 | A | 95.9 | Very high | 94.3 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 63% | 0.628 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -65.7 | -21.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | T424 | T424-A427 WeakPolarHBondContact O-CB 3.37Å; T424-A427 PolarHBondContact O-N 3.05Å; T424-A427 VanDerWaalsContact O-N 3.16Å |
| 428 | W | 97.1 | Very high | 94.2 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 11% | 0.106 | 23% | 0.228 | C | C | . | . | trans | -130.1 | 141 | 179 | -62.7 | 93.1 | 0 | 0 | 0 | 109.8 | F335 Q336 Y339 R387 D426 I430 Y431 | F335-W428 HydrophobicContact CB-CD2 4.45Å; F335-W428 HydrophobicContact CB-CZ2 4.12Å; F335-W428 AromaticContact CD2-CD1 3.9Å; F335-W428 HydrophobicContact CD2-CG 4.32Å; Q336-W428 HydrophobicContact CB-CZ2 4.2Å; Y339-W428 HydrophobicContact CD2-CZ3 4.05Å; Y339-W428 HydrophobicContact CG-CH2 4.1Å; Y339-W428 AromaticContact CG-CZ3 3.97Å; Y339-W428 HydrophobicContact CG-CZ3 3.97Å; R387-W428 HydrophobicContact CG-CZ3 4.38Å; D426-W428 PolarHBondContact O-N 2.86Å; W428-I430 HydrophobicContact CE3-CG1 4.15Å; W428-Y431 HydrophobicContact CB-CE1 4.18Å; W428-Y431 PolarHBondContact O-OH 3.04Å | ||
| 429 | C | 96.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 37 Ų | 37 | 11% | 0.108 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -123.1 | 7.8 | 166.3 | 66.5 | 0 | 0 | 0 | 0 | 112 | M386 R387 I416 K417 Y418 | M386-C429 PolarHBondContact O-SG 3.07Å; M386-C429 VanDerWaalsContact O-SG 3.34Å; R387-C429 PolarHBondContact O-SG 3.25Å; I416-C429 VanDerWaalsContact CA-O 3.31Å; I416-C429 WeakPolarHBondContact CA-O 3.42Å; I416-C429 WeakPolarHBondContact CG2-O 3.48Å; K417-C429 PolarHBondContact N-O 2.97Å; K417-C429 CarbonylContact O-C 3.58Å; K417-C429 WeakPolarHBondContact O-CA 3.28Å; Y418-C429 HydrophobicContact CD1-CB 3.8Å; Y418-C429 HydrophobicContact CE1-CB 3.7Å |
| 430 | I | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.3 | 172.6 | 55.5 | 166.2 | 0 | 0 | 0 | 108.2 | Y339 F383 M386 R387 Y414 R415 I416 W428 | Y339-I430 HydrophobicContact CD2-CD1 3.85Å; Y339-I430 HydrophobicContact CE2-CD1 3.92Å; F383-I430 HydrophobicContact CD2-CD1 4.26Å; F383-I430 HydrophobicContact CE2-CD1 3.48Å; F383-I430 VanDerWaalsContact CE2-CD1 3.48Å; F383-I430 HydrophobicContact CZ-CD1 3.86Å; M386-I430 HydrophobicContact CB-CG2 3.86Å; M386-I430 WeakPolarHBondContact O-CG2 3.17Å; R387-I430 HydrophobicContact CB-CD1 3.63Å; R387-I430 HydrophobicContact CB-CG1 4.22Å; R387-I430 HydrophobicContact CG-CD1 4.01Å; R387-I430 HydrophobicContact CG-CG1 4.35Å; Y414-I430 HydrophobicContact CD1-CB 4.21Å; Y414-I430 HydrophobicContact CD1-CD1 4.23Å; Y414-I430 HydrophobicContact CD1-CG1 4.38Å; Y414-I430 HydrophobicContact CE1-CD1 4.47Å; R415-I430 CarbonylContact O-C 3.58Å; R415-I430 VanDerWaalsContact O-CA 3.31Å; R415-I430 WeakPolarHBondContact O-CA 3.34Å; I416-I430 HydrophobicContact CG1-CG2 4.02Å; W428-I430 HydrophobicContact CE3-CG1 4.15Å |
| 431 | Y | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.1 | -175.5 | -63.7 | -87.4 | 0 | 0 | 0 | 110.5 | P303 F335 Y414 R415 K417 H421 W428 | P303-Y431 HydrophobicContact CB-CE1 4.19Å; P303-Y431 HydrophobicContact CB-CE2 4.19Å; P303-Y431 HydrophobicContact CG-CD1 4.34Å; P303-Y431 HydrophobicContact CG-CD2 3.8Å; P303-Y431 HydrophobicContact CG-CE1 4.14Å; P303-Y431 HydrophobicContact CG-CE2 3.56Å; P303-Y431 HydrophobicContact CG-CG 4.17Å; F335-Y431 HydrophobicContact CE2-CD1 4.05Å; F335-Y431 AromaticContact CE2-CE1 3.99Å; F335-Y431 HydrophobicContact CE2-CE1 3.99Å; F335-Y431 AromaticContact CZ-CD1 3.97Å; F335-Y431 HydrophobicContact CZ-CD1 3.97Å; F335-Y431 HydrophobicContact CZ-CE1 4.32Å; Y414-Y431 WeakPolarHBondContact CA-O 3.43Å; R415-Y431 PolarHBondContact N-O 3.03Å; R415-Y431 PolarHBondContact O-N 3.36Å; K417-Y431 HydrophobicContact CB-CD2 3.83Å; K417-Y431 HydrophobicContact CB-CE2 3.97Å; K417-Y431 HydrophobicContact CG-CD2 4.48Å; K417-Y431 WeakPolarHBondContact O-CE2 3.4Å; H421-Y431 HydrophobicContact CB-CE1 4.11Å; H421-Y431 AromaticContact CD2-CE1 3.62Å; W428-Y431 HydrophobicContact CB-CE1 4.18Å; W428-Y431 PolarHBondContact O-OH 3.04Å |
| 432 | P | 97.7 | Very high | 95 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 151.4 | 175.7 | 30.4 | -33.8 | 0 | 0 | 0 | 110.8 | F335 L338 A413 Y414 Y436 T437 | F335-P432 HydrophobicContact CD1-CG 4.06Å; F335-P432 HydrophobicContact CE1-CG 4.05Å; L338-P432 HydrophobicContact CD1-CG 3.97Å; A413-P432 CarbonylContact O-C 3.57Å; A413-P432 WeakPolarHBondContact O-CA 3.36Å; Y414-P432 HydrophobicContact CD1-CB 4.34Å; Y414-P432 HydrophobicContact CE1-CB 3.86Å; Y414-P432 HydrophobicContact CE1-CG 4.25Å; Y414-P432 HydrophobicContact CE2-CB 4.02Å; P432-Y436 HydrophobicContact CB-CD1 3.83Å; P432-T437 VanDerWaalsContact CB-OG1 3.26Å; P432-T437 WeakPolarHBondContact CB-OG1 3.32Å; P432-T437 VanDerWaalsContact CG-OG1 3.27Å; P432-T437 WeakPolarHBondContact CG-OG1 3.08Å |
| 433 | T | 94.7 | Very high | 95.4 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 13% | 0.129 | 16% | 0.156 | C | C | . | . | trans | -83.2 | 158.8 | 176.8 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | V412 A413 R415 D435 Y436 T437 | V412-T433 HydrophobicContact CB-CG2 4.29Å; V412-T433 HydrophobicContact CG1-CG2 3.91Å; V412-T433 WeakPolarHBondContact O-CB 3.44Å; V412-T433 VanDerWaalsContact O-CG2 3.25Å; V412-T433 WeakPolarHBondContact O-CG2 3.46Å; V412-T433 PolarHBondContact O-OG1 3.09Å; A413-T433 PolarHBondContact O-N 2.84Å; A413-T433 PolarHBondContact O-OG1 2.85Å; R415-T433 HydrophobicContact CG-CG2 4.3Å; T433-D435 VanDerWaalsContact C-N 3.32Å; T433-D435 PolarHBondContact O-N 3.19Å; T433-Y436 PolarHBondContact O-N 2.97Å; T433-Y436 VanDerWaalsContact O-N 3.08Å; T433-T437 PolarHBondContact O-N 2.9Å; T433-T437 PolarHBondContact O-OG1 3.23Å; T433-T437 VanDerWaalsContact O-OG1 3.05Å | ||
| 434 | Y | 90.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 24 Ų | 24 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -45 | -51.1 | 177.5 | -177.7 | -88.4 | 0 | 0 | 0 | 113.8 | D299 Y436 T437 H438 F456 | D299-Y434 VanDerWaalsContact OD2-CD2 3.23Å; D299-Y434 WeakPolarHBondContact OD2-CD2 3.45Å; Y434-Y436 VanDerWaalsContact C-N 3.32Å; Y434-Y436 PolarHBondContact O-N 3.32Å; Y434-T437 PolarHBondContact O-N 3.02Å; Y434-H438 AromaticContact CD2-CD2 3.46Å; Y434-H438 VanDerWaalsContact CD2-CD2 3.46Å; Y434-H438 WeakPolarHBondContact CD2-CD2 3.33Å; Y434-H438 AromaticContact CD2-NE2 3.37Å; Y434-H438 WeakPolarHBondContact CD2-NE2 3.45Å; Y434-H438 AromaticContact CE2-CD2 3.49Å; Y434-H438 VanDerWaalsContact CE2-CD2 3.49Å; Y434-H438 WeakPolarHBondContact CE2-CD2 3.25Å; Y434-H438 AromaticContact CE2-CE1 3.45Å; Y434-H438 VanDerWaalsContact CE2-CE1 3.45Å; Y434-H438 WeakPolarHBondContact CE2-CE1 3.38Å; Y434-H438 AromaticContact CE2-CG 3.93Å; Y434-H438 AromaticContact CE2-ND1 3.92Å; Y434-H438 AromaticContact CE2-NE2 3.2Å; Y434-H438 WeakPolarHBondContact CE2-NE2 3.31Å; Y434-H438 AromaticContact CG-CD2 3.91Å; Y434-H438 AromaticContact CZ-CD2 3.96Å; Y434-H438 AromaticContact CZ-CE1 3.98Å; Y434-H438 AromaticContact CZ-CG 3.97Å; Y434-H438 PolarHBondContact O-CD2 2.98Å; Y434-H438 PolarHBondContact O-N 2.73Å; Y434-F456 HydrophobicContact CD1-CE1 4.17Å; Y434-F456 HydrophobicContact CE1-CD1 4.06Å; Y434-F456 AromaticContact CE1-CE1 3.52Å; Y434-F456 HydrophobicContact CE1-CE1 3.52Å; Y434-F456 HydrophobicContact CE1-CZ 4.05Å |
| 435 | D | 89.4 | Confident | 96 | Very high | 35 Ų | 35 | 22.9 Ų | 22.9 | 19% | 0.187 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | -176.4 | -67.5 | -36.9 | 0 | 0 | 0 | 112.6 | T433 C439 R459 | T433-D435 VanDerWaalsContact C-N 3.32Å; T433-D435 PolarHBondContact O-N 3.19Å; D435-C439 WeakPolarHBondContact O-CB 3.33Å; D435-R459 WeakPolarHBondContact OD1-CD 3.38Å; D435-R459 IonicContact OD1-CZ 2.76Å; D435-R459 IonicContact OD1-NE 3.82Å; D435-R459 IonicContact OD1-NH1 3.98Å; D435-R459 PolarHBondContact OD1-NH1 3.48Å; D435-R459 IonicContact OD2-CZ 2.85Å; D435-R459 IonicContact OD2-NE 2.77Å; D435-R459 IonicContact OD2-NH1 3.69Å; D435-R459 PolarHBondContact OD2-NH1 3.02Å |
| 436 | Y | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.4 | -46.7 | 177.2 | -174.9 | -93.5 | 0 | 0 | 0 | 110.9 | L338 L341 A342 L345 M400 A413 Y414 P432 T433 Y434 L440 L466 | L338-Y436 HydrophobicContact CB-CE1 4.14Å; L338-Y436 HydrophobicContact CD2-CD1 4.32Å; L338-Y436 HydrophobicContact CD2-CE1 4.03Å; L338-Y436 PolarHBondContact O-OH 3.07Å; L338-Y436 VanDerWaalsContact O-OH 3.11Å; L341-Y436 VanDerWaalsContact C-OH 3.25Å; L341-Y436 WeakPolarHBondContact CB-OH 3.37Å; A342-Y436 VanDerWaalsContact CA-OH 3.27Å; A342-Y436 WeakPolarHBondContact CA-OH 3.24Å; A342-Y436 WeakPolarHBondContact CB-OH 3.49Å; A342-Y436 PolarHBondContact N-OH 2.99Å; L345-Y436 HydrophobicContact CD2-CE2 4.26Å; M400-Y436 HydrophobicContact SD-CD2 4.24Å; A413-Y436 HydrophobicContact CB-CD2 3.73Å; A413-Y436 HydrophobicContact CB-CE2 4.28Å; A413-Y436 HydrophobicContact CB-CG 4.09Å; Y414-Y436 HydrophobicContact CE2-CD1 4.05Å; Y414-Y436 AromaticContact CE2-CE1 3.74Å; Y414-Y436 HydrophobicContact CE2-CE1 3.74Å; P432-Y436 HydrophobicContact CB-CD1 3.83Å; T433-Y436 PolarHBondContact O-N 2.97Å; T433-Y436 VanDerWaalsContact O-N 3.08Å; Y434-Y436 VanDerWaalsContact C-N 3.32Å; Y434-Y436 PolarHBondContact O-N 3.32Å; Y436-L440 HydrophobicContact CD1-CD1 4.02Å; Y436-L440 HydrophobicContact CD2-CD1 4.19Å; Y436-L440 HydrophobicContact CE1-CD1 3.47Å; Y436-L440 VanDerWaalsContact CE1-CD1 3.47Å; Y436-L440 HydrophobicContact CE2-CD1 3.66Å; Y436-L440 HydrophobicContact CG-CD1 4.34Å; Y436-L440 WeakPolarHBondContact O-CG 3.1Å; Y436-L440 PolarHBondContact O-N 2.9Å; Y436-L440 WeakPolarHBondContact OH-CD1 3.49Å; Y436-L466 HydrophobicContact CD2-CD1 4.09Å; Y436-L466 HydrophobicContact CD2-CD2 3.76Å; Y436-L466 HydrophobicContact CE2-CD1 3.88Å; Y436-L466 HydrophobicContact CE2-CD2 4.21Å; Y436-L466 HydrophobicContact CG-CD2 4.36Å |
| 437 | T | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -53 | -173.9 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | T301 A331 L338 P432 T433 Y434 C439 L440 C441 | T301-T437 HydrophobicContact CG2-CG2 3.39Å; T301-T437 WeakPolarHBondContact CG2-OG1 3.23Å; A331-T437 HydrophobicContact CB-CG2 3.73Å; L338-T437 HydrophobicContact CD1-CG2 3.72Å; P432-T437 VanDerWaalsContact CB-OG1 3.26Å; P432-T437 WeakPolarHBondContact CB-OG1 3.32Å; P432-T437 VanDerWaalsContact CG-OG1 3.27Å; P432-T437 WeakPolarHBondContact CG-OG1 3.08Å; T433-T437 PolarHBondContact O-N 2.9Å; T433-T437 PolarHBondContact O-OG1 3.23Å; T433-T437 VanDerWaalsContact O-OG1 3.05Å; Y434-T437 PolarHBondContact O-N 3.02Å; T437-C439 VanDerWaalsContact C-N 3.31Å; T437-C439 PolarHBondContact O-N 2.9Å; T437-L440 PolarHBondContact O-N 3.37Å; T437-C441 VanDerWaalsContact O-CB 3.28Å; T437-C441 WeakPolarHBondContact O-CB 3.43Å; T437-C441 PolarHBondContact O-N 2.95Å; T437-C441 PolarHBondContact O-SG 3.5Å; T437-C441 VanDerWaalsContact O-SG 3.34Å |
| 438 | H | 94.5 | Very high | 96.5 | Very high | 7 Ų | 7 | 12.5 Ų | 12.5 | 3% | 0.032 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | -172.3 | -78.5 | -109.5 | 0 | 0 | 0 | 112 | R297 D299 Y434 D442 | R297-H438 PolarHBondContact NH2-O 3.11Å; D299-H438 IonicContact OD1-NE2 2.71Å; D299-H438 PolarHBondContact OD1-NE2 2.96Å; D299-H438 IonicContact OD2-CE1 2.66Å; D299-H438 IonicContact OD2-NE2 2.77Å; D299-H438 PolarHBondContact OD2-NE2 3.41Å; Y434-H438 AromaticContact CD2-CD2 3.46Å; Y434-H438 VanDerWaalsContact CD2-CD2 3.46Å; Y434-H438 WeakPolarHBondContact CD2-CD2 3.33Å; Y434-H438 AromaticContact CD2-NE2 3.37Å; Y434-H438 WeakPolarHBondContact CD2-NE2 3.45Å; Y434-H438 AromaticContact CE2-CD2 3.49Å; Y434-H438 VanDerWaalsContact CE2-CD2 3.49Å; Y434-H438 WeakPolarHBondContact CE2-CD2 3.25Å; Y434-H438 AromaticContact CE2-CE1 3.45Å; Y434-H438 VanDerWaalsContact CE2-CE1 3.45Å; Y434-H438 WeakPolarHBondContact CE2-CE1 3.38Å; Y434-H438 AromaticContact CE2-CG 3.93Å; Y434-H438 AromaticContact CE2-ND1 3.92Å; Y434-H438 AromaticContact CE2-NE2 3.2Å; Y434-H438 WeakPolarHBondContact CE2-NE2 3.31Å; Y434-H438 AromaticContact CG-CD2 3.91Å; Y434-H438 AromaticContact CZ-CD2 3.96Å; Y434-H438 AromaticContact CZ-CE1 3.98Å; Y434-H438 AromaticContact CZ-CG 3.97Å; Y434-H438 PolarHBondContact O-CD2 2.98Å; Y434-H438 PolarHBondContact O-N 2.73Å; H438-D442 WeakPolarHBondContact O-CB 3.32Å; H438-D442 PolarHBondContact O-N 2.9Å |
| 439 | C | 95.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.8 | -49.6 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 112.3 | D435 T437 D442 S443 Y463 L466 C467 | D435-C439 WeakPolarHBondContact O-CB 3.33Å; T437-C439 VanDerWaalsContact C-N 3.31Å; T437-C439 PolarHBondContact O-N 2.9Å; C439-D442 PolarHBondContact O-N 3.36Å; C439-S443 PolarHBondContact O-N 3.48Å; C439-Y463 VanDerWaalsContact CA-CE2 3.42Å; C439-Y463 HydrophobicContact CB-CD2 3.61Å; C439-Y463 HydrophobicContact CB-CE2 3.7Å; C439-Y463 HydrophobicContact CB-CG 4.16Å; C439-Y463 PolarHBondContact SG-O 3.31Å; C439-L466 HydrophobicContact CB-CD2 4.11Å; C439-C467 PolarHBondContact SG-SG 3.28Å |
| 440 | L | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -77.1 | -34 | -177.2 | -66.5 | 176.7 | 0 | 0 | 0 | 112.9 | L338 L341 Y436 T437 D442 S443 I444 L466 L470 V472 | L338-L440 HydrophobicContact CD2-CB 3.59Å; L338-L440 HydrophobicContact CD2-CD1 4.01Å; L338-L440 HydrophobicContact CD2-CG 4.46Å; L341-L440 HydrophobicContact CB-CD1 4.29Å; L341-L440 HydrophobicContact CD1-CB 4.41Å; L341-L440 HydrophobicContact CD1-CD1 4Å; L341-L440 HydrophobicContact CD1-CD2 4.3Å; L341-L440 HydrophobicContact CD1-CG 4.47Å; Y436-L440 HydrophobicContact CD1-CD1 4.02Å; Y436-L440 HydrophobicContact CD2-CD1 4.19Å; Y436-L440 HydrophobicContact CE1-CD1 3.47Å; Y436-L440 VanDerWaalsContact CE1-CD1 3.47Å; Y436-L440 HydrophobicContact CE2-CD1 3.66Å; Y436-L440 HydrophobicContact CG-CD1 4.34Å; Y436-L440 WeakPolarHBondContact O-CG 3.1Å; Y436-L440 PolarHBondContact O-N 2.9Å; Y436-L440 WeakPolarHBondContact OH-CD1 3.49Å; T437-L440 PolarHBondContact O-N 3.37Å; L440-D442 VanDerWaalsContact C-N 3.29Å; L440-D442 PolarHBondContact O-N 3.17Å; L440-S443 WeakPolarHBondContact O-CB 3.41Å; L440-S443 PolarHBondContact O-N 2.91Å; L440-I444 WeakPolarHBondContact O-CD1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.29Å; L440-I444 PolarHBondContact O-N 2.9Å; L440-L466 HydrophobicContact CD1-CD2 4.1Å; L440-L466 HydrophobicContact CD1-CG 4.39Å; L440-L466 HydrophobicContact CD2-CD2 4.32Å; L440-L466 HydrophobicContact CD2-CG 4.07Å; L440-L466 HydrophobicContact CG-CD2 3.89Å; L440-L466 HydrophobicContact CG-CG 4.18Å; L440-L470 HydrophobicContact CD1-CD1 4.1Å; L440-L470 HydrophobicContact CD2-CD1 3.81Å; L440-V472 HydrophobicContact CD2-CG2 4.18Å |
| 441 | C | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 171.2 | -72.9 | 0 | 0 | 0 | 0 | 111.2 | R297 T437 S443 I444 E445 | R297-C441 VanDerWaalsContact CZ-CB 3.48Å; T437-C441 VanDerWaalsContact O-CB 3.28Å; T437-C441 WeakPolarHBondContact O-CB 3.43Å; T437-C441 PolarHBondContact O-N 2.95Å; T437-C441 PolarHBondContact O-SG 3.5Å; T437-C441 VanDerWaalsContact O-SG 3.34Å; C441-S443 VanDerWaalsContact C-N 3.3Å; C441-S443 PolarHBondContact O-N 3.24Å; C441-I444 PolarHBondContact O-N 3.35Å; C441-E445 WeakPolarHBondContact O-CB 3.48Å; C441-E445 WeakPolarHBondContact O-CG 3.41Å; C441-E445 PolarHBondContact O-N 2.89Å |
| 442 | D | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 174.8 | -69.5 | -11.2 | 0 | 0 | 0 | 112.1 | R263 R297 H438 C439 L440 N446 I447 S450 Y463 P475 | R263-D442 WeakPolarHBondContact CD-OD1 3.27Å; R263-D442 IonicContact CZ-OD1 2.8Å; R263-D442 IonicContact CZ-OD2 3.96Å; R263-D442 IonicContact NE-OD1 3.66Å; R263-D442 PolarHBondContact NE-OD1 2.82Å; R263-D442 IonicContact NE-OD2 3.32Å; R263-D442 PolarHBondContact NE-OD2 3.32Å; R263-D442 IonicContact NH2-OD1 2.78Å; R263-D442 IonicContact NH2-OD2 2.9Å; R263-D442 PolarHBondContact NH2-OD2 2.73Å; R297-D442 IonicContact CZ-OD1 3.68Å; R297-D442 IonicContact NH1-OD1 4Å; R297-D442 PolarHBondContact NH1-OD1 2.97Å; R297-D442 IonicContact NH2-OD1 3.57Å; R297-D442 PolarHBondContact NH2-OD1 2.63Å; H438-D442 WeakPolarHBondContact O-CB 3.32Å; H438-D442 PolarHBondContact O-N 2.9Å; C439-D442 PolarHBondContact O-N 3.36Å; L440-D442 VanDerWaalsContact C-N 3.29Å; L440-D442 PolarHBondContact O-N 3.17Å; D442-N446 PolarHBondContact O-N 3.45Å; D442-I447 HydrophobicContact CB-CB 4Å; D442-I447 HydrophobicContact CB-CG1 3.98Å; D442-I447 WeakPolarHBondContact O-CB 3.18Å; D442-I447 WeakPolarHBondContact O-CG1 3.47Å; D442-I447 PolarHBondContact O-N 3.3Å; D442-S450 PolarHBondContact OD2-OG 3.04Å; D442-Y463 WeakPolarHBondContact CB-OH 3.34Å; D442-Y463 PolarHBondContact OD2-OH 2.85Å; D442-Y463 VanDerWaalsContact OD2-OH 3.08Å; D442-P475 HydrophobicContact CB-CB 4.33Å; D442-P475 HydrophobicContact CB-CG 3.74Å |
| 443 | S | 98.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 12 Ų | 12 | 7% | 0.07 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | C439 L440 C441 E445 N446 Y473 | C439-S443 PolarHBondContact O-N 3.48Å; L440-S443 WeakPolarHBondContact O-CB 3.41Å; L440-S443 PolarHBondContact O-N 2.91Å; C441-S443 VanDerWaalsContact C-N 3.3Å; C441-S443 PolarHBondContact O-N 3.24Å; S443-E445 PolarHBondContact O-N 3.37Å; S443-N446 PolarHBondContact O-N 3.18Å; S443-N446 VanDerWaalsContact O-N 3.13Å; S443-Y473 WeakPolarHBondContact CB-O 3.43Å; S443-Y473 PolarHBondContact OG-O 2.82Å |
| 444 | I | 98 | Very high | 94.9 | Very high | 27 Ų | 27 | 15 Ų | 15 | 14% | 0.138 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | -178.8 | -68.7 | 161.6 | 0 | 0 | 0 | 111.2 | N334 R337 L440 C441 N446 | N334-I444 HydrophobicContact CB-CD1 4.25Å; R337-I444 HydrophobicContact CB-CD1 4.47Å; R337-I444 HydrophobicContact CG-CD1 4.03Å; L440-I444 WeakPolarHBondContact O-CD1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.29Å; L440-I444 PolarHBondContact O-N 2.9Å; C441-I444 PolarHBondContact O-N 3.35Å; I444-N446 PolarHBondContact O-N 3.36Å; I444-N446 PolarHBondContact O-ND2 2.87Å |
| 445 | E | 97.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 15.3 Ų | 15.3 | 7% | 0.065 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 2.1 | -179.9 | -67.7 | 176.9 | 160.2 | 0 | 0 | 113.2 | R261 R297 T329 C441 S443 I447 | R261-E445 PolarHBondContact NE-O 3.15Å; R261-E445 VanDerWaalsContact NE-O 3.08Å; R261-E445 PolarHBondContact NH2-O 2.87Å; R297-E445 WeakPolarHBondContact CD-OE1 3.49Å; R297-E445 WeakPolarHBondContact CD-OE2 3.42Å; R297-E445 IonicContact CZ-OE2 3.86Å; R297-E445 IonicContact NE-OE2 2.79Å; R297-E445 IonicContact NH1-OE2 2.89Å; R297-E445 PolarHBondContact NH1-OE2 2.8Å; T329-E445 WeakPolarHBondContact CB-OE1 3.44Å; T329-E445 PolarHBondContact OG1-OE1 2.98Å; C441-E445 WeakPolarHBondContact O-CB 3.48Å; C441-E445 WeakPolarHBondContact O-CG 3.41Å; C441-E445 PolarHBondContact O-N 2.89Å; S443-E445 PolarHBondContact O-N 3.37Å; E445-I447 VanDerWaalsContact C-N 3.3Å; E445-I447 HydrophobicContact CB-CD1 4.13Å; E445-I447 HydrophobicContact CB-CG1 4.11Å; E445-I447 PolarHBondContact O-N 3.32Å |
| 446 | N | 97.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 16 Ų | 16 | 12% | 0.118 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 44.9 | -178.3 | -80 | -91.4 | 0 | 0 | 0 | 112.5 | H252 F255 T256 R261 D442 S443 I444 T448 | H252-N446 PolarHBondContact CE1-O 3.24Å; H252-N446 PolarHBondContact ND1-OD1 2.93Å; F255-N446 HydrophobicContact CD1-CB 3.79Å; F255-N446 HydrophobicContact CE1-CB 4.06Å; T256-N446 HydrophobicContact CG2-CB 3.79Å; R261-N446 VanDerWaalsContact CD-O 3.27Å; R261-N446 WeakPolarHBondContact CD-O 3.34Å; R261-N446 PolarHBondContact NE-O 3.42Å; D442-N446 PolarHBondContact O-N 3.45Å; S443-N446 PolarHBondContact O-N 3.18Å; S443-N446 VanDerWaalsContact O-N 3.13Å; I444-N446 PolarHBondContact O-N 3.36Å; I444-N446 PolarHBondContact O-ND2 2.87Å; N446-T448 PolarHBondContact O-N 2.82Å |
| 447 | I | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -63.7 | 131.8 | 177 | -61.5 | -59.2 | 0 | 0 | 0 | 109.4 | R261 R263 Y295 D442 E445 Y473 P475 | R261-I447 WeakPolarHBondContact O-CG2 3.38Å; R263-I447 HydrophobicContact CB-CD1 4.01Å; R263-I447 HydrophobicContact CG-CD1 4.42Å; Y295-I447 HydrophobicContact CD2-CD1 4.03Å; D442-I447 HydrophobicContact CB-CB 4Å; D442-I447 HydrophobicContact CB-CG1 3.98Å; D442-I447 WeakPolarHBondContact O-CB 3.18Å; D442-I447 WeakPolarHBondContact O-CG1 3.47Å; D442-I447 PolarHBondContact O-N 3.3Å; E445-I447 VanDerWaalsContact C-N 3.3Å; E445-I447 HydrophobicContact CB-CD1 4.13Å; E445-I447 HydrophobicContact CB-CG1 4.11Å; E445-I447 PolarHBondContact O-N 3.32Å; I447-Y473 VanDerWaalsContact O-CE1 3.23Å; I447-Y473 WeakPolarHBondContact O-CE1 3.05Å; I447-Y473 PolarHBondContact O-OH 3.4Å; I447-P475 HydrophobicContact CB-CB 4.47Å; I447-P475 VanDerWaalsContact O-CB 3.31Å; I447-P475 WeakPolarHBondContact O-CB 3.13Å | ||
| 448 | T | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -88.9 | -44.3 | 174.9 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | H228 P230 R261 N446 | H228-T448 PolarHBondContact CE1-O 3.33Å; H228-T448 VanDerWaalsContact CE1-O 3.23Å; H228-T448 PolarHBondContact NE2-O 3.47Å; P230-T448 HydrophobicContact CB-CG2 4.14Å; P230-T448 HydrophobicContact CG-CG2 4.37Å; R261-T448 HydrophobicContact CB-CG2 4.44Å; R261-T448 PolarHBondContact N-OG1 3.33Å; R261-T448 PolarHBondContact O-N 2.93Å; R261-T448 PolarHBondContact O-OG1 3.32Å; N446-T448 PolarHBondContact O-N 2.82Å |
| 449 | H | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 97.6 | -176.9 | -63.7 | 76.4 | 0 | 0 | 0 | 110 | F227 H228 R261 T262 Y286 L451 | F227-H449 AromaticContact CD2-CD2 3.77Å; H228-H449 AromaticContact CE1-CD2 3.6Å; H228-H449 AromaticContact CE1-CE1 3.53Å; H228-H449 AromaticContact CE1-ND1 3.97Å; H228-H449 AromaticContact CE1-NE2 3.25Å; H228-H449 PolarHBondContact CE1-NE2 3.09Å; H228-H449 VanDerWaalsContact CE1-NE2 3.25Å; H228-H449 AromaticContact ND1-CD2 3.74Å; H228-H449 AromaticContact ND1-CE1 3.8Å; H228-H449 AromaticContact ND1-NE2 3.17Å; H228-H449 PolarHBondContact ND1-NE2 3.01Å; H228-H449 VanDerWaalsContact ND1-NE2 3.17Å; H228-H449 PolarHBondContact O-CE1 3.02Å; H228-H449 PolarHBondContact O-NE2 3.29Å; H228-H449 VanDerWaalsContact O-NE2 3.14Å; R261-H449 PolarHBondContact O-N 3.29Å; T262-H449 HydrophobicContact CG2-CB 4.01Å; Y286-H449 HydrophobicContact CD1-CB 4.45Å; Y286-H449 HydrophobicContact CE1-CB 4.13Å; Y286-H449 AromaticContact CE1-CD2 3.72Å; Y286-H449 AromaticContact CE1-CE1 3.93Å; Y286-H449 AromaticContact CE1-CG 3.59Å; Y286-H449 AromaticContact CE1-ND1 3.72Å; Y286-H449 AromaticContact CE1-NE2 3.96Å; Y286-H449 AromaticContact CZ-CD2 3.95Å; Y286-H449 AromaticContact CZ-NE2 3.95Å; Y286-H449 PolarHBondContact OH-NE2 3.34Å; H449-L451 HydrophobicContact CB-CD2 4Å; H449-L451 HydrophobicContact CB-CG 4.29Å; H449-L451 PolarHBondContact O-N 3.35Å |
| 450 | S | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 92.3 | 171.7 | 158.8 | 0 | 0 | 0 | 0 | 108.9 | R263 D442 V476 Q477 W478 | R263-S450 PolarHBondContact NH2-OG 2.9Å; D442-S450 PolarHBondContact OD2-OG 3.04Å; S450-V476 PolarHBondContact N-O 3.1Å; S450-Q477 CarbonylContact O-C 3.51Å; S450-Q477 WeakPolarHBondContact O-CA 3.43Å; S450-W478 PolarHBondContact O-N 3.5Å |
| 451 | L | 93.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.2 | -178.9 | -46.5 | 174.7 | 0 | 0 | 0 | 109.6 | F227 T262 R263 F282 N283 Y286 H449 W478 Y480 | F227-L451 HydrophobicContact CE2-CD2 3.86Å; F227-L451 HydrophobicContact CZ-CD2 4.18Å; T262-L451 HydrophobicContact CG2-CD1 4.24Å; R263-L451 PolarHBondContact NH1-O 3.29Å; F282-L451 HydrophobicContact CD1-CB 3.83Å; F282-L451 HydrophobicContact CD1-CD1 3.54Å; F282-L451 HydrophobicContact CD1-CG 4.14Å; F282-L451 HydrophobicContact CE1-CB 3.88Å; F282-L451 HydrophobicContact CE1-CD1 3.58Å; F282-L451 HydrophobicContact CE1-CD2 3.84Å; F282-L451 HydrophobicContact CE1-CG 3.95Å; F282-L451 HydrophobicContact CG-CD1 4.06Å; F282-L451 HydrophobicContact CZ-CD1 4.09Å; F282-L451 HydrophobicContact CZ-CD2 4.32Å; N283-L451 WeakPolarHBondContact OD1-CB 3.12Å; Y286-L451 HydrophobicContact CG-CD1 4.46Å; H449-L451 HydrophobicContact CB-CD2 4Å; H449-L451 HydrophobicContact CB-CG 4.29Å; H449-L451 PolarHBondContact O-N 3.35Å; L451-W478 WeakPolarHBondContact CA-O 3.48Å; L451-W478 HydrophobicContact CD2-CB 3.8Å; L451-W478 HydrophobicContact CD2-CG 4.37Å; L451-Y480 HydrophobicContact CB-CD1 4.47Å; L451-Y480 HydrophobicContact CB-CE1 4.23Å |
| 452 | C | 91.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 172.1 | 178.2 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | Q477 W478 E479 Y480 | C452-Q477 PolarHBondContact SG-NE2 2.91Å; C452-W478 PolarHBondContact N-O 3.31Å; C452-E479 CarbonylContact O-C 3.56Å; C452-E479 VanDerWaalsContact O-CA 3.26Å; C452-E479 WeakPolarHBondContact O-CA 3.36Å; C452-Y480 VanDerWaalsContact C-CE1 3.47Å; C452-Y480 WeakPolarHBondContact O-CD1 3.21Å; C452-Y480 VanDerWaalsContact O-CE1 3.27Å; C452-Y480 WeakPolarHBondContact O-CE1 3.37Å; C452-Y480 PolarHBondContact O-N 3.43Å |
| 453 | T | 87.6 | Confident | 89.1 | Confident | 32 Ų | 32 | 30.4 Ų | 30.4 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 156.1 | 178.3 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | E455 F456 Y480 | T453-E455 WeakPolarHBondContact CB-OE2 3.25Å; T453-E455 PolarHBondContact O-N 3.2Å; T453-E455 VanDerWaalsContact O-N 3.08Å; T453-E455 PolarHBondContact OG1-OE2 3.27Å; T453-F456 PolarHBondContact O-N 3.08Å; T453-F456 VanDerWaalsContact O-N 3.09Å; T453-Y480 CarbonylContact C-O 3.5Å; T453-Y480 VanDerWaalsContact CA-O 3.27Å; T453-Y480 WeakPolarHBondContact CA-O 3.42Å; T453-Y480 HydrophobicContact CG2-CE2 3.87Å |
| 454 | K | 82.4 | Confident | 88.9 | Confident | 83 Ų | 83 | 30.3 Ų | 30.3 | 36% | 0.361 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -57 | -23.7 | -176.1 | -174.8 | 173.2 | -179.1 | 179.7 | 0 | 114.8 | F456 Q457 Y480 V539 | K454-F456 PolarHBondContact O-N 3.31Å; K454-Q457 VanDerWaalsContact CE-OE1 3.29Å; K454-Q457 HydrophobicContact CG-CB 4.41Å; K454-Q457 VanDerWaalsContact O-CB 3.23Å; K454-Q457 WeakPolarHBondContact O-CB 3.32Å; K454-Q457 PolarHBondContact O-N 3.4Å; K454-Y480 PolarHBondContact N-O 3.46Å; K454-V539 HydrophobicContact CD-CG1 4.03Å; K454-V539 VanDerWaalsContact CD-O 3.26Å; K454-V539 WeakPolarHBondContact CD-O 3.2Å |
| 455 | E | 79.2 | Confident | 88.8 | Confident | 76 Ų | 76 | 31.7 Ų | 31.7 | 36% | 0.355 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -58.4 | -18.2 | 176.4 | -61.7 | 78.1 | -170.4 | 0 | 0 | 112.8 | T453 R482 Q541 | T453-E455 WeakPolarHBondContact CB-OE2 3.25Å; T453-E455 PolarHBondContact O-N 3.2Å; T453-E455 VanDerWaalsContact O-N 3.08Å; T453-E455 PolarHBondContact OG1-OE2 3.27Å; E455-R482 WeakPolarHBondContact OE1-CB 3.42Å; E455-Q541 PolarHBondContact OE1-NE2 2.98Å |
| 456 | F | 77.8 | Confident | 88.7 | Confident | 48 Ų | 48 | 31.1 Ų | 31.1 | 21% | 0.211 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -99.5 | 2.9 | 177.2 | -59.9 | -81.2 | 0 | 0 | 0 | 114.2 | Y434 T453 K454 A458 R459 | Y434-F456 HydrophobicContact CD1-CE1 4.17Å; Y434-F456 HydrophobicContact CE1-CD1 4.06Å; Y434-F456 AromaticContact CE1-CE1 3.52Å; Y434-F456 HydrophobicContact CE1-CE1 3.52Å; Y434-F456 HydrophobicContact CE1-CZ 4.05Å; T453-F456 PolarHBondContact O-N 3.08Å; T453-F456 VanDerWaalsContact O-N 3.09Å; K454-F456 PolarHBondContact O-N 3.31Å; F456-A458 PolarHBondContact O-N 3.29Å; F456-R459 WeakPolarHBondContact O-CA 3.42Å; F456-R459 VanDerWaalsContact O-CB 3.31Å; F456-R459 WeakPolarHBondContact O-CB 3.48Å; F456-R459 PolarHBondContact O-N 3.05Å |
| 457 | Q | 77.7 | Confident | 88.7 | Confident | 78 Ų | 78 | 30 Ų | 30 | 36% | 0.364 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -57.8 | -44.1 | -176 | -173.8 | -179.8 | 7.2 | 0 | 0 | 112.8 | K454 R459 R460 E479 | K454-Q457 VanDerWaalsContact CE-OE1 3.29Å; K454-Q457 HydrophobicContact CG-CB 4.41Å; K454-Q457 VanDerWaalsContact O-CB 3.23Å; K454-Q457 WeakPolarHBondContact O-CB 3.32Å; K454-Q457 PolarHBondContact O-N 3.4Å; Q457-R459 PolarHBondContact O-N 3.46Å; Q457-R460 WeakPolarHBondContact O-CB 3.42Å; Q457-R460 PolarHBondContact O-N 3.32Å; Q457-E479 HydrophobicContact CB-CG 3.96Å; Q457-E479 HydrophobicContact CG-CG 4.29Å |
| 458 | A | 71.3 | Confident | 88.6 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 38% | 0.38 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -63.1 | -12.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F456 | F456-A458 PolarHBondContact O-N 3.29Š|
| 459 | R | 79.3 | Confident | 88.6 | Confident | 79 Ų | 79 | 32 Ų | 32 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -94.2 | -6.4 | 178.7 | -48.2 | -164.1 | -171.6 | 178.4 | 1.1 | 112.8 | M404 D435 F456 Q457 S461 S462 Y463 | M404-R459 HydrophobicContact CE-CB 4.45Å; M404-R459 HydrophobicContact CE-CG 4.17Å; D435-R459 WeakPolarHBondContact OD1-CD 3.38Å; D435-R459 IonicContact OD1-CZ 2.76Å; D435-R459 IonicContact OD1-NE 3.82Å; D435-R459 IonicContact OD1-NH1 3.98Å; D435-R459 PolarHBondContact OD1-NH1 3.48Å; D435-R459 IonicContact OD2-CZ 2.85Å; D435-R459 IonicContact OD2-NE 2.77Å; D435-R459 IonicContact OD2-NH1 3.69Å; D435-R459 PolarHBondContact OD2-NH1 3.02Å; F456-R459 WeakPolarHBondContact O-CA 3.42Å; F456-R459 VanDerWaalsContact O-CB 3.31Å; F456-R459 WeakPolarHBondContact O-CB 3.48Å; F456-R459 PolarHBondContact O-N 3.05Å; Q457-R459 PolarHBondContact O-N 3.46Å; R459-S461 VanDerWaalsContact C-N 3.34Å; R459-S461 PolarHBondContact O-N 2.95Å; R459-S462 CarbonylContact O-C 3.59Å; R459-S462 PolarHBondContact O-N 3.41Å; R459-S462 VanDerWaalsContact O-N 3.1Å; R459-S462 PolarHBondContact O-OG 3.45Å; R459-Y463 WeakPolarHBondContact O-CB 3.47Å; R459-Y463 PolarHBondContact O-N 2.99Å |
| 460 | R | 85 | Confident | 88.7 | Confident | 54 Ų | 54 | 32.1 Ų | 32.1 | 20% | 0.204 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | -178.4 | -173.6 | 173.8 | 67.2 | -171.5 | 12.2 | 113.5 | Q457 S462 Y463 F464 Q477 E479 | Q457-R460 WeakPolarHBondContact O-CB 3.42Å; Q457-R460 PolarHBondContact O-N 3.32Å; R460-S462 PolarHBondContact O-N 3.2Å; R460-Y463 VanDerWaalsContact O-CB 3.31Å; R460-Y463 WeakPolarHBondContact O-CB 3.36Å; R460-Y463 PolarHBondContact O-N 3.49Å; R460-F464 HydrophobicContact CG-CD2 4.27Å; R460-F464 HydrophobicContact CG-CE1 4.45Å; R460-F464 HydrophobicContact CG-CE2 3.75Å; R460-F464 HydrophobicContact CG-CZ 3.85Å; R460-F464 PolarHBondContact O-N 2.94Å; R460-Q477 HydrophobicContact CG-CB 4.29Å; R460-E479 WeakPolarHBondContact CD-OE1 3.49Å; R460-E479 IonicContact NH1-OE1 3.05Å; R460-E479 IonicContact NH1-OE2 3.32Å; R460-E479 PolarHBondContact NH1-OE2 3.23Å; R460-E479 VanDerWaalsContact NH1-OE2 3.17Å |
| 461 | S | 84.5 | Confident | 88.7 | Confident | 28 Ų | 28 | 34.3 Ų | 34.3 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 173.5 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | E405 R459 Y463 F464 W465 | E405-S461 VanDerWaalsContact CG-OG 3.32Å; E405-S461 WeakPolarHBondContact CG-OG 3.49Å; E405-S461 WeakPolarHBondContact OE1-CB 3.38Å; E405-S461 WeakPolarHBondContact OE2-CB 3.2Å; E405-S461 PolarHBondContact OE2-OG 3.1Å; R459-S461 VanDerWaalsContact C-N 3.34Å; R459-S461 PolarHBondContact O-N 2.95Å; S461-Y463 VanDerWaalsContact C-N 3.31Å; S461-Y463 PolarHBondContact O-N 2.91Å; S461-F464 PolarHBondContact O-N 2.68Å; S461-W465 VanDerWaalsContact O-CB 3.28Å; S461-W465 WeakPolarHBondContact O-CB 3.16Å; S461-W465 PolarHBondContact O-N 3.33Å |
| 462 | S | 87.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -31.8 | 175.3 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | R459 R460 L466 | R459-S462 CarbonylContact O-C 3.59Å; R459-S462 PolarHBondContact O-N 3.41Å; R459-S462 VanDerWaalsContact O-N 3.1Å; R459-S462 PolarHBondContact O-OG 3.45Å; R460-S462 PolarHBondContact O-N 3.2Å; S462-L466 WeakPolarHBondContact O-CB 3.44Å; S462-L466 PolarHBondContact O-N 3.18Å |
| 463 | Y | 92.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -54.7 | 174.5 | -174.5 | -74.3 | 0 | 0 | 0 | 110.3 | C439 D442 R459 R460 S461 W465 L466 C467 P475 Q477 | C439-Y463 VanDerWaalsContact CA-CE2 3.42Å; C439-Y463 HydrophobicContact CB-CD2 3.61Å; C439-Y463 HydrophobicContact CB-CE2 3.7Å; C439-Y463 HydrophobicContact CB-CG 4.16Å; C439-Y463 PolarHBondContact SG-O 3.31Å; D442-Y463 WeakPolarHBondContact CB-OH 3.34Å; D442-Y463 PolarHBondContact OD2-OH 2.85Å; D442-Y463 VanDerWaalsContact OD2-OH 3.08Å; R459-Y463 WeakPolarHBondContact O-CB 3.47Å; R459-Y463 PolarHBondContact O-N 2.99Å; R460-Y463 VanDerWaalsContact O-CB 3.31Å; R460-Y463 WeakPolarHBondContact O-CB 3.36Å; R460-Y463 PolarHBondContact O-N 3.49Å; S461-Y463 VanDerWaalsContact C-N 3.31Å; S461-Y463 PolarHBondContact O-N 2.91Å; Y463-W465 PolarHBondContact O-N 2.96Å; Y463-L466 PolarHBondContact O-N 3.25Å; Y463-C467 PolarHBondContact O-N 3.42Å; Y463-P475 HydrophobicContact CE1-CB 4.31Å; Y463-P475 WeakPolarHBondContact OH-CB 3.42Å; Y463-P475 WeakPolarHBondContact OH-CG 3.31Å; Y463-Q477 HydrophobicContact CD1-CB 4.47Å |
| 464 | F | 94.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -42 | 177.5 | -63.8 | -25.8 | 0 | 0 | 0 | 112 | G238 Y239 R460 S461 L466 C467 N468 C474 | G238-F464 VanDerWaalsContact O-CD2 3.3Å; G238-F464 WeakPolarHBondContact O-CD2 3.49Å; Y239-F464 HydrophobicContact CD2-CE1 4.26Å; Y239-F464 HydrophobicContact CD2-CZ 4.36Å; R460-F464 HydrophobicContact CG-CD2 4.27Å; R460-F464 HydrophobicContact CG-CE1 4.45Å; R460-F464 HydrophobicContact CG-CE2 3.75Å; R460-F464 HydrophobicContact CG-CZ 3.85Å; R460-F464 PolarHBondContact O-N 2.94Å; S461-F464 PolarHBondContact O-N 2.68Å; F464-L466 VanDerWaalsContact C-N 3.29Å; F464-L466 PolarHBondContact O-N 3.32Å; F464-C467 PolarHBondContact O-N 3.13Å; F464-N468 WeakPolarHBondContact O-CB 3.26Å; F464-N468 PolarHBondContact O-N 3.29Å; F464-N468 PolarHBondContact O-ND2 2.7Å; F464-C474 VanDerWaalsContact CD1-SG 3.6Å |
| 465 | W | 95.9 | Very high | 90.5 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 21% | 0.212 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.2 | -44.8 | 177.5 | 175.2 | 89.5 | 0 | 0 | 0 | 112.1 | L345 H350 M400 I402 S461 Y463 N468 A469 | L345-W465 HydrophobicContact CD1-CH2 4.29Å; L345-W465 HydrophobicContact CD2-CH2 4.47Å; H350-W465 HydrophobicContact CB-CH2 4.1Å; H350-W465 HydrophobicContact CB-CZ2 4.02Å; M400-W465 HydrophobicContact CB-CH2 3.89Å; M400-W465 HydrophobicContact CB-CZ3 3.79Å; M400-W465 HydrophobicContact CG-CH2 4.4Å; M400-W465 HydrophobicContact CG-CZ3 3.99Å; M400-W465 HydrophobicContact SD-CE3 4.42Å; M400-W465 HydrophobicContact SD-CZ3 3.72Å; I402-W465 HydrophobicContact CB-CD2 4.23Å; I402-W465 HydrophobicContact CB-CH2 4.36Å; I402-W465 HydrophobicContact CB-CZ2 3.98Å; I402-W465 HydrophobicContact CD1-CB 3.77Å; I402-W465 HydrophobicContact CD1-CD2 3.55Å; I402-W465 HydrophobicContact CD1-CE3 4.11Å; I402-W465 HydrophobicContact CD1-CG 3.36Å; I402-W465 HydrophobicContact CG1-CD2 4.13Å; I402-W465 HydrophobicContact CG1-CG 4.18Å; I402-W465 HydrophobicContact CG2-CE3 4.4Å; I402-W465 HydrophobicContact CG2-CH2 4.43Å; I402-W465 HydrophobicContact CG2-CZ3 4.37Å; S461-W465 VanDerWaalsContact O-CB 3.28Å; S461-W465 WeakPolarHBondContact O-CB 3.16Å; S461-W465 PolarHBondContact O-N 3.33Å; Y463-W465 PolarHBondContact O-N 2.96Å; W465-N468 PolarHBondContact O-N 3.44Å; W465-A469 HydrophobicContact CD2-CB 4.48Å; W465-A469 HydrophobicContact CZ2-CB 4.32Å; W465-A469 VanDerWaalsContact O-CB 3.27Å; W465-A469 WeakPolarHBondContact O-CB 3.45Å; W465-A469 PolarHBondContact O-N 3.03Å |
| 466 | L | 96.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | -175.7 | -179.4 | 57.4 | 0 | 0 | 0 | 112.1 | L345 M400 Y436 C439 L440 S462 Y463 F464 A469 L470 | L345-L466 HydrophobicContact CD1-CD1 4.43Å; L345-L466 HydrophobicContact CD2-CD1 3.98Å; M400-L466 HydrophobicContact SD-CD1 4Å; M400-L466 HydrophobicContact SD-CD2 4.29Å; Y436-L466 HydrophobicContact CD2-CD1 4.09Å; Y436-L466 HydrophobicContact CD2-CD2 3.76Å; Y436-L466 HydrophobicContact CE2-CD1 3.88Å; Y436-L466 HydrophobicContact CE2-CD2 4.21Å; Y436-L466 HydrophobicContact CG-CD2 4.36Å; C439-L466 HydrophobicContact CB-CD2 4.11Å; L440-L466 HydrophobicContact CD1-CD2 4.1Å; L440-L466 HydrophobicContact CD1-CG 4.39Å; L440-L466 HydrophobicContact CD2-CD2 4.32Å; L440-L466 HydrophobicContact CD2-CG 4.07Å; L440-L466 HydrophobicContact CG-CD2 3.89Å; L440-L466 HydrophobicContact CG-CG 4.18Å; S462-L466 WeakPolarHBondContact O-CB 3.44Å; S462-L466 PolarHBondContact O-N 3.18Å; Y463-L466 PolarHBondContact O-N 3.25Å; F464-L466 VanDerWaalsContact C-N 3.29Å; F464-L466 PolarHBondContact O-N 3.32Å; L466-A469 PolarHBondContact O-N 3.28Å; L466-L470 HydrophobicContact CD1-CD1 3.93Å; L466-L470 HydrophobicContact CG-CD1 4.49Å; L466-L470 PolarHBondContact O-N 2.92Å |
| 467 | C | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.8 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | C439 Y463 F464 L470 D471 V472 C474 | C439-C467 PolarHBondContact SG-SG 3.28Å; Y463-C467 PolarHBondContact O-N 3.42Å; F464-C467 PolarHBondContact O-N 3.13Å; C467-L470 PolarHBondContact O-N 3.45Å; C467-D471 PolarHBondContact O-N 2.95Å; C467-D471 VanDerWaalsContact O-N 3.08Å; C467-V472 HydrophobicContact CB-CG2 4.02Å; C467-V472 PolarHBondContact O-N 3.04Å; C467-V472 VanDerWaalsContact O-N 3.09Å; C467-C474 HydrophobicContact CB-CB 3.62Å |
| 468 | N | 96.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 24.5 Ų | 24.5 | 15% | 0.15 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | -178.8 | -65.4 | -30.7 | 0 | 0 | 0 | 112.2 | V240 T242 F464 W465 L470 D471 | V240-N468 WeakPolarHBondContact CB-ND2 3.08Å; T242-N468 HydrophobicContact CG2-CB 4.1Å; F464-N468 WeakPolarHBondContact O-CB 3.26Å; F464-N468 PolarHBondContact O-N 3.29Å; F464-N468 PolarHBondContact O-ND2 2.7Å; W465-N468 PolarHBondContact O-N 3.44Å; N468-L470 PolarHBondContact O-N 3.2Å; N468-D471 PolarHBondContact O-N 3.01Å |
| 469 | A | 96.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 10% | 0.099 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -29.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L345 R348 W465 L466 | L345-A469 HydrophobicContact CD1-CB 3.85Å; R348-A469 WeakPolarHBondContact CD-O 3.33Å; R348-A469 PolarHBondContact NH1-O 2.82Å; W465-A469 HydrophobicContact CD2-CB 4.48Å; W465-A469 HydrophobicContact CZ2-CB 4.32Å; W465-A469 VanDerWaalsContact O-CB 3.27Å; W465-A469 WeakPolarHBondContact O-CB 3.45Å; W465-A469 PolarHBondContact O-N 3.03Å; L466-A469 PolarHBondContact O-N 3.28Å |
| 470 | L | 97.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -95.9 | -5 | 179.6 | -71.2 | 163.8 | 0 | 0 | 0 | 113.7 | L341 D344 L345 R348 L440 L466 C467 N468 V472 | L341-L470 HydrophobicContact CB-CD1 4.15Å; L341-L470 HydrophobicContact CD2-CD1 4.29Å; L341-L470 HydrophobicContact CD2-CD2 4.26Å; L341-L470 WeakPolarHBondContact O-CD2 3.46Å; D344-L470 HydrophobicContact CB-CD2 4.07Å; L345-L470 HydrophobicContact CB-CD2 4.11Å; L345-L470 HydrophobicContact CD1-CD1 4.48Å; L345-L470 HydrophobicContact CD1-CD2 4.13Å; L345-L470 HydrophobicContact CD1-CG 4.02Å; R348-L470 PolarHBondContact NH2-O 2.69Å; L440-L470 HydrophobicContact CD1-CD1 4.1Å; L440-L470 HydrophobicContact CD2-CD1 3.81Å; L466-L470 HydrophobicContact CD1-CD1 3.93Å; L466-L470 HydrophobicContact CG-CD1 4.49Å; L466-L470 PolarHBondContact O-N 2.92Å; C467-L470 PolarHBondContact O-N 3.45Å; N468-L470 PolarHBondContact O-N 3.2Å; L470-V472 VanDerWaalsContact C-N 3.27Å; L470-V472 HydrophobicContact CB-CG1 4.1Å; L470-V472 HydrophobicContact CB-CG2 4.24Å; L470-V472 PolarHBondContact O-N 3.34Å |
| 471 | D | 97.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 17.3 Ų | 17.3 | 25% | 0.246 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.2 | -171.7 | -60.7 | -53.9 | 0 | 0 | 0 | 113.4 | K244 R348 C467 N468 | K244-D471 HydrophobicContact CD-CB 3.6Å; K244-D471 IonicContact NZ-OD2 2.7Å; K244-D471 PolarHBondContact NZ-OD2 3.18Å; R348-D471 IonicContact CZ-OD2 3.24Å; R348-D471 IonicContact NH1-OD2 2.66Å; R348-D471 PolarHBondContact NH1-OD2 2.84Å; R348-D471 IonicContact NH2-OD2 3.13Å; C467-D471 PolarHBondContact O-N 2.95Å; C467-D471 VanDerWaalsContact O-N 3.08Å; N468-D471 PolarHBondContact O-N 3.01Å |
| 472 | V | 98.1 | Very high | 93.6 | Very high | 30 Ų | 30 | 19.9 Ų | 19.9 | 18% | 0.182 | 9% | 0.091 | C | C | . | . | trans | -102.6 | 161.9 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | L341 L440 C467 L470 C474 | L341-V472 HydrophobicContact CD2-CG1 4.27Å; L440-V472 HydrophobicContact CD2-CG2 4.18Å; C467-V472 HydrophobicContact CB-CG2 4.02Å; C467-V472 PolarHBondContact O-N 3.04Å; C467-V472 VanDerWaalsContact O-N 3.09Å; L470-V472 VanDerWaalsContact C-N 3.27Å; L470-V472 HydrophobicContact CB-CG1 4.1Å; L470-V472 HydrophobicContact CB-CG2 4.24Å; L470-V472 PolarHBondContact O-N 3.34Å; V472-C474 PolarHBondContact O-N 3.14Å | ||
| 473 | Y | 98.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 5% | 0.047 | 9% | 0.088 | C | C | . | . | trans | -52.3 | 131.8 | 174.3 | 164.5 | -109.8 | 0 | 0 | 0 | 109.9 | N233 L249 H252 S443 I447 P475 | N233-Y473 PolarHBondContact ND2-OH 2.99Å; L249-Y473 HydrophobicContact CD2-CD2 4.34Å; L249-Y473 HydrophobicContact CD2-CE2 3.94Å; H252-Y473 HydrophobicContact CB-CD2 3.8Å; H252-Y473 HydrophobicContact CB-CE2 3.99Å; H252-Y473 HydrophobicContact CB-CG 4.3Å; H252-Y473 AromaticContact CD2-CE2 3.88Å; H252-Y473 AromaticContact CE1-CE1 3.85Å; H252-Y473 AromaticContact CE1-CZ 3.49Å; H252-Y473 VanDerWaalsContact CE1-CZ 3.49Å; H252-Y473 PolarHBondContact CE1-OH 3.49Å; H252-Y473 AromaticContact CG-CD2 3.88Å; H252-Y473 AromaticContact CG-CE2 3.56Å; H252-Y473 AromaticContact CG-CZ 3.82Å; H252-Y473 AromaticContact ND1-CE1 3.61Å; H252-Y473 AromaticContact ND1-CE2 3.68Å; H252-Y473 AromaticContact ND1-CZ 3.44Å; H252-Y473 AromaticContact NE2-CZ 3.91Å; S443-Y473 WeakPolarHBondContact CB-O 3.43Å; S443-Y473 PolarHBondContact OG-O 2.82Å; I447-Y473 VanDerWaalsContact O-CE1 3.23Å; I447-Y473 WeakPolarHBondContact O-CE1 3.05Å; I447-Y473 PolarHBondContact O-OH 3.4Å; Y473-P475 HydrophobicContact CD1-CG 4.24Å; Y473-P475 HydrophobicContact CE1-CB 4.33Å; Y473-P475 HydrophobicContact CE1-CG 3.79Å; Y473-P475 WeakPolarHBondContact O-CD 3.39Å | ||
| 474 | C | 97.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.034 | 10% | 0.097 | C | C | . | . | trans | -109.7 | 104.7 | -175.1 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | N233 Y239 F464 C467 V472 | N233-C474 PolarHBondContact ND2-O 3.47Å; N233-C474 VanDerWaalsContact ND2-O 3.16Å; Y239-C474 HydrophobicContact CE2-CB 4.12Å; Y239-C474 VanDerWaalsContact CE2-O 3.25Å; Y239-C474 WeakPolarHBondContact CE2-O 3.48Å; Y239-C474 WeakPolarHBondContact OH-CB 3.48Å; Y239-C474 PolarHBondContact OH-O 3.28Å; F464-C474 VanDerWaalsContact CD1-SG 3.6Å; C467-C474 HydrophobicContact CB-CB 3.62Å; V472-C474 PolarHBondContact O-N 3.14Å | ||
| 475 | P | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -63 | 157 | 174.3 | -21.7 | 33.2 | 0 | 0 | 0 | 112 | D442 I447 Y463 Y473 | D442-P475 HydrophobicContact CB-CB 4.33Å; D442-P475 HydrophobicContact CB-CG 3.74Å; I447-P475 HydrophobicContact CB-CB 4.47Å; I447-P475 VanDerWaalsContact O-CB 3.31Å; I447-P475 WeakPolarHBondContact O-CB 3.13Å; Y463-P475 HydrophobicContact CE1-CB 4.31Å; Y463-P475 WeakPolarHBondContact OH-CB 3.42Å; Y463-P475 WeakPolarHBondContact OH-CG 3.31Å; Y473-P475 HydrophobicContact CD1-CG 4.24Å; Y473-P475 HydrophobicContact CE1-CB 4.33Å; Y473-P475 HydrophobicContact CE1-CG 3.79Å; Y473-P475 WeakPolarHBondContact O-CD 3.39Å |
| 476 | V | 95.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.2 | 171 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | H228 N233 T236 Y239 S450 W478 | H228-V476 WeakPolarHBondContact NE2-CG2 3.37Å; N233-V476 HydrophobicContact CB-CG2 3.58Å; T236-V476 HydrophobicContact CG2-CG1 3.98Å; T236-V476 HydrophobicContact CG2-CG2 4.06Å; Y239-V476 HydrophobicContact CD2-CG2 4.19Å; Y239-V476 HydrophobicContact CE2-CG2 4.17Å; S450-V476 PolarHBondContact N-O 3.1Å; V476-W478 HydrophobicContact CG1-CZ2 4.26Å; V476-W478 VanDerWaalsContact CG1-NE1 3.3Å |
| 477 | Q | 93.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 20 Ų | 20 | 6% | 0.061 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.3 | 171.9 | -175.6 | 177.1 | 21.7 | 0 | 0 | 110.3 | S450 C452 R460 Y463 | S450-Q477 CarbonylContact O-C 3.51Å; S450-Q477 WeakPolarHBondContact O-CA 3.43Å; C452-Q477 PolarHBondContact SG-NE2 2.91Å; R460-Q477 HydrophobicContact CG-CB 4.29Å; Y463-Q477 HydrophobicContact CD1-CB 4.47Å |
| 478 | W | 90.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 20.5 Ų | 20.5 | 24% | 0.235 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.6 | 174.1 | -68.8 | 97.7 | 0 | 0 | 0 | 110.4 | F227 H228 T236 S450 L451 C452 V476 | F227-W478 AromaticContact CD1-CD2 3.81Å; F227-W478 HydrophobicContact CD1-CD2 3.81Å; F227-W478 AromaticContact CD1-CE2 3.73Å; F227-W478 HydrophobicContact CD1-CE3 4.12Å; F227-W478 HydrophobicContact CD1-CG 4.28Å; F227-W478 HydrophobicContact CD1-CH2 4.29Å; F227-W478 AromaticContact CD1-CZ2 3.99Å; F227-W478 HydrophobicContact CD1-CZ2 3.99Å; F227-W478 HydrophobicContact CD1-CZ3 4.35Å; F227-W478 HydrophobicContact CE1-CB 4.28Å; F227-W478 AromaticContact CE1-CD2 3.52Å; F227-W478 HydrophobicContact CE1-CD2 3.52Å; F227-W478 AromaticContact CE1-CE2 3.97Å; F227-W478 AromaticContact CE1-CE3 3.68Å; F227-W478 HydrophobicContact CE1-CE3 3.68Å; F227-W478 AromaticContact CE1-CG 3.81Å; F227-W478 HydrophobicContact CE1-CG 3.81Å; F227-W478 HydrophobicContact CE1-CZ2 4.5Å; F227-W478 HydrophobicContact CE1-CZ3 4.23Å; F227-W478 HydrophobicContact CZ-CB 4.14Å; F227-W478 HydrophobicContact CZ-CD2 4.24Å; F227-W478 HydrophobicContact CZ-CG 4.04Å; H228-W478 AromaticContact ND1-NE1 3.75Å; T236-W478 HydrophobicContact CG2-CZ2 3.9Å; S450-W478 PolarHBondContact O-N 3.5Å; L451-W478 WeakPolarHBondContact CA-O 3.48Å; L451-W478 HydrophobicContact CD2-CB 3.8Å; L451-W478 HydrophobicContact CD2-CG 4.37Å; C452-W478 PolarHBondContact N-O 3.31Å; V476-W478 HydrophobicContact CG1-CZ2 4.26Å; V476-W478 VanDerWaalsContact CG1-NE1 3.3Å |
| 479 | E | 88.8 | Confident | 92.5 | Very high | 19 Ų | 19 | 19.3 Ų | 19.3 | 9% | 0.089 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.6 | 179.6 | -56.1 | 84.8 | 178.6 | 0 | 0 | 112.8 | C452 Q457 R460 | C452-E479 CarbonylContact O-C 3.56Å; C452-E479 VanDerWaalsContact O-CA 3.26Å; C452-E479 WeakPolarHBondContact O-CA 3.36Å; Q457-E479 HydrophobicContact CB-CG 3.96Å; Q457-E479 HydrophobicContact CG-CG 4.29Å; R460-E479 WeakPolarHBondContact CD-OE1 3.49Å; R460-E479 IonicContact NH1-OE1 3.05Å; R460-E479 IonicContact NH1-OE2 3.32Å; R460-E479 PolarHBondContact NH1-OE2 3.23Å; R460-E479 VanDerWaalsContact NH1-OE2 3.17Å |
| 480 | Y | 87.1 | Confident | 92 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 154.9 | 169.4 | 63.8 | -88.3 | 0 | 0 | 0 | 111.6 | K278 A279 F282 L451 C452 T453 K454 R482 | K278-Y480 HydrophobicContact CD-CD2 4.29Å; K278-Y480 HydrophobicContact CD-CE2 4.42Å; K278-Y480 HydrophobicContact CG-CD2 4.45Å; K278-Y480 HydrophobicContact CG-CE2 4.25Å; A279-Y480 VanDerWaalsContact CA-OH 3.26Å; A279-Y480 WeakPolarHBondContact CA-OH 3.43Å; A279-Y480 WeakPolarHBondContact CB-OH 3.37Å; F282-Y480 AromaticContact CD1-CD1 3.4Å; F282-Y480 HydrophobicContact CD1-CD1 3.4Å; F282-Y480 VanDerWaalsContact CD1-CD1 3.4Å; F282-Y480 AromaticContact CD1-CE1 3.65Å; F282-Y480 HydrophobicContact CD1-CE1 3.65Å; F282-Y480 AromaticContact CD1-CG 3.99Å; F282-Y480 HydrophobicContact CD1-CG 3.99Å; F282-Y480 AromaticContact CE1-CD1 3.57Å; F282-Y480 HydrophobicContact CE1-CD1 3.57Å; F282-Y480 HydrophobicContact CE1-CE1 4.24Å; F282-Y480 HydrophobicContact CE1-CG 4.11Å; L451-Y480 HydrophobicContact CB-CD1 4.47Å; L451-Y480 HydrophobicContact CB-CE1 4.23Å; C452-Y480 VanDerWaalsContact C-CE1 3.47Å; C452-Y480 WeakPolarHBondContact O-CD1 3.21Å; C452-Y480 VanDerWaalsContact O-CE1 3.27Å; C452-Y480 WeakPolarHBondContact O-CE1 3.37Å; C452-Y480 PolarHBondContact O-N 3.43Å; T453-Y480 CarbonylContact C-O 3.5Å; T453-Y480 VanDerWaalsContact CA-O 3.27Å; T453-Y480 WeakPolarHBondContact CA-O 3.42Å; T453-Y480 HydrophobicContact CG2-CE2 3.87Å; K454-Y480 PolarHBondContact N-O 3.46Å; Y480-R482 PolarHBondContact O-N 3.38Å |
| 481 | G | 82.4 | Confident | 91.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 129.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K278 T538 A540 | K278-G481 PolarHBondContact NZ-O 3.29Å; G481-T538 PolarHBondContact N-O 3.4Å; G481-A540 WeakPolarHBondContact CA-O 3.44Å |
| 482 | R | 83.6 | Confident | 90.9 | Very high | 83 Ų | 83 | 23 Ų | 23 | 31% | 0.313 | 11% | 0.112 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 141.1 | 172.8 | -176.8 | 176.1 | 174.6 | 158.6 | 8.5 | 110.4 | E455 Y480 N484 A542 | E455-R482 WeakPolarHBondContact OE1-CB 3.42Å; Y480-R482 PolarHBondContact O-N 3.38Å; R482-N484 PolarHBondContact NE-OD1 3.24Å; R482-A542 PolarHBondContact O-N 3.34Å |
| 483 | L | 87.2 | Confident | 90.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.3 | 170.3 | 170.3 | 64.6 | 0 | 0 | 0 | 109.1 | I274 G275 K278 F531 V535 M544 | I274-L483 HydrophobicContact CG1-CD2 4.41Å; G275-L483 WeakPolarHBondContact CA-O 2.97Å; K278-L483 HydrophobicContact CB-CB 4.27Å; K278-L483 HydrophobicContact CB-CD2 4.24Å; K278-L483 HydrophobicContact CD-CB 3.82Å; L483-F531 HydrophobicContact CD1-CE1 4.28Å; L483-F531 HydrophobicContact CD1-CZ 4.37Å; L483-F531 HydrophobicContact CD2-CD1 4.48Å; L483-F531 HydrophobicContact CD2-CE1 3.87Å; L483-V535 HydrophobicContact CD1-CG1 4.35Å; L483-V535 HydrophobicContact CD1-CG2 4.4Å; L483-M544 HydrophobicContact CD1-CB 4.45Å; L483-M544 HydrophobicContact CD1-CG 4.02Å |
| 484 | N | 87.4 | Confident | 90.2 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 24% | 0.241 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149.9 | 171.7 | -66.3 | -40.6 | 0 | 0 | 0 | 109.7 | R482 A542 T543 M544 | R482-N484 PolarHBondContact NE-OD1 3.24Å; N484-A542 PolarHBondContact N-O 3.21Å; N484-T543 WeakPolarHBondContact O-CA 3.13Å; N484-M544 PolarHBondContact O-N 3.46Å |
| 485 | L | 91.5 | Very high | 90 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.4 | 169.4 | -65.5 | -174.6 | 0 | 0 | 0 | 109.8 | I274 T488 F513 F531 M544 L549 | I274-L485 HydrophobicContact CB-CD1 4.39Å; I274-L485 HydrophobicContact CG1-CD1 4.13Å; I274-L485 HydrophobicContact CG2-CD1 3.78Å; I274-L485 HydrophobicContact CG2-CG 3.87Å; L485-T488 HydrophobicContact CB-CG2 3.91Å; L485-T488 VanDerWaalsContact O-CG2 3.26Å; L485-T488 WeakPolarHBondContact O-CG2 3.27Å; L485-F513 HydrophobicContact CD1-CD1 3.42Å; L485-F513 VanDerWaalsContact CD1-CD1 3.42Å; L485-F513 HydrophobicContact CD1-CE1 3.57Å; L485-F513 HydrophobicContact CD1-CG 4.31Å; L485-F531 HydrophobicContact CD2-CE1 4.41Å; L485-F531 HydrophobicContact CD2-CZ 4.08Å; L485-M544 VanDerWaalsContact CA-O 3.28Å; L485-M544 WeakPolarHBondContact CA-O 3.36Å; L485-M544 HydrophobicContact CD2-CB 3.71Å; L485-M544 WeakPolarHBondContact CD2-O 3.35Å; L485-L549 HydrophobicContact CD1-CD2 4.2Å |
| 486 | T | 93.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -80.7 | 169.3 | 169.2 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | T488 T543 M544 P546 K696 | T486-T488 PolarHBondContact O-N 3.3Å; T486-T543 HydrophobicContact CG2-CG2 3.52Å; T486-M544 PolarHBondContact N-O 2.85Å; T486-M544 VanDerWaalsContact N-O 3.1Å; T486-P546 WeakPolarHBondContact O-CG 3.26Å; T486-K696 WeakPolarHBondContact CB-O 3.35Å; T486-K696 HydrophobicContact CG2-CD 4.22Å; T486-K696 HydrophobicContact CG2-CG 3.57Å |
| 487 | Y | 93.2 | Very high | 89.7 | Confident | 27 Ų | 27 | 40 Ų | 40 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 59 | 29.4 | -178.5 | -55.9 | -86.8 | 0 | 0 | 0 | 114 | P546 F693 H695 K696 | Y487-P546 HydrophobicContact CD2-CG 4.39Å; Y487-F693 WeakPolarHBondContact O-CD2 3.35Å; Y487-H695 WeakPolarHBondContact CD1-O 3.44Å; Y487-H695 VanDerWaalsContact CE1-C 3.5Å; Y487-K696 HydrophobicContact CE1-CB 4.2Å; Y487-K696 HydrophobicContact CE2-CB 4.15Å; Y487-K696 HydrophobicContact CE2-CG 3.96Å; Y487-K696 PolarHBondContact N-O 3.31Å |
| 488 | T | 93.3 | Very high | 89.8 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | trans | -149.8 | 162.3 | -178.6 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | L485 T486 V490 F513 | L485-T488 HydrophobicContact CB-CG2 3.91Å; L485-T488 VanDerWaalsContact O-CG2 3.26Å; L485-T488 WeakPolarHBondContact O-CG2 3.27Å; T486-T488 PolarHBondContact O-N 3.3Å; T488-V490 HydrophobicContact CG2-CG1 4.24Å; T488-F513 VanDerWaalsContact CB-CD2 3.5Å; T488-F513 HydrophobicContact CG2-CB 4.47Å; T488-F513 HydrophobicContact CG2-CD2 4.18Å; T488-F513 HydrophobicContact CG2-CG 4.39Å; T488-F513 VanDerWaalsContact OG1-CD2 3.26Å; T488-F513 WeakPolarHBondContact OG1-CD2 3.38Å | ||
| 489 | V | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | trans | -126 | 134.5 | 167.7 | -60.7 | 0 | 0 | 0 | 0 | 108.2 | K494 L498 F693 P698 E699 F708 | V489-K494 HydrophobicContact CB-CB 4.38Å; V489-K494 HydrophobicContact CB-CD 4.32Å; V489-K494 HydrophobicContact CG1-CD 4.43Å; V489-K494 HydrophobicContact CG2-CB 4.16Å; V489-L498 HydrophobicContact CG2-CD1 3.72Å; V489-F693 HydrophobicContact CB-CE2 4.42Å; V489-F693 HydrophobicContact CB-CZ 4.39Å; V489-F693 HydrophobicContact CG1-CE2 4Å; V489-F693 HydrophobicContact CG1-CZ 3.79Å; V489-F693 HydrophobicContact CG2-CE2 3.92Å; V489-F693 HydrophobicContact CG2-CZ 3.76Å; V489-P698 HydrophobicContact CG1-CG 4.03Å; V489-E699 HydrophobicContact CG1-CG 3.81Å; V489-F708 HydrophobicContact CG1-CD2 4.24Å | ||
| 490 | V | 85.6 | Confident | 90.2 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | trans | -119.7 | -1 | -173.2 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | H273 T488 | H273-V490 HydrophobicContact CB-CB 4.18Å; H273-V490 HydrophobicContact CB-CG1 4.16Å; T488-V490 HydrophobicContact CG2-CG1 4.24Å | ||
| 491 | S | 87 | Confident | 90.4 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | trans | -70.5 | 129.6 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111 | R493 K494 I495 | S491-R493 VanDerWaalsContact C-N 3.28Å; S491-R493 PolarHBondContact O-N 3.48Å; S491-K494 PolarHBondContact O-N 3.15Å; S491-I495 PolarHBondContact O-N 2.88Å | ||
| 492 | K | 86.6 | Confident | 90.9 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -48.4 | -48.4 | 174.6 | 176.9 | 179.6 | 173.9 | -179.4 | 0 | 112 | N269 I271 K494 I495 I496 | N269-K492 WeakPolarHBondContact O-CE 3.49Å; N269-K492 PolarHBondContact O-NZ 3.09Å; I271-K492 HydrophobicContact CD1-CG 4.18Å; I271-K492 HydrophobicContact CG1-CG 4.47Å; K492-K494 VanDerWaalsContact C-N 3.29Å; K492-K494 PolarHBondContact O-N 3.47Å; K492-I495 PolarHBondContact O-N 3.11Å; K492-I496 HydrophobicContact CD-CD1 4.42Å; K492-I496 HydrophobicContact CG-CD1 3.74Å; K492-I496 HydrophobicContact CG-CG1 4.42Å; K492-I496 WeakPolarHBondContact O-CB 3.16Å; K492-I496 WeakPolarHBondContact O-CG1 3.04Å; K492-I496 PolarHBondContact O-N 3.3Å |
| 493 | R | 89.3 | Confident | 91.3 | Very high | 214 Ų | 214 | 50.4 Ų | 50.4 | 81% | 0.808 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.6 | -38.2 | 179 | -176.8 | 179.9 | 175 | -172 | -0.7 | 112.4 | S491 K497 | S491-R493 VanDerWaalsContact C-N 3.28Å; S491-R493 PolarHBondContact O-N 3.48Å; R493-K497 WeakPolarHBondContact O-CB 3.31Å; R493-K497 PolarHBondContact O-N 3.15Å |
| 494 | K | 92.4 | Very high | 91.7 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.3 | -40.6 | 179.6 | -66.3 | -172.7 | 174.4 | -174 | 0 | 111.9 | V489 S491 K492 K497 L498 E699 F708 | V489-K494 HydrophobicContact CB-CB 4.38Å; V489-K494 HydrophobicContact CB-CD 4.32Å; V489-K494 HydrophobicContact CG1-CD 4.43Å; V489-K494 HydrophobicContact CG2-CB 4.16Å; S491-K494 PolarHBondContact O-N 3.15Å; K492-K494 VanDerWaalsContact C-N 3.29Å; K492-K494 PolarHBondContact O-N 3.47Å; K494-K497 WeakPolarHBondContact O-CB 3.41Å; K494-K497 PolarHBondContact O-N 2.7Å; K494-L498 WeakPolarHBondContact O-CG 3.46Å; K494-L498 PolarHBondContact O-N 3.23Å; K494-E699 VanDerWaalsContact NZ-CD 3.25Å; K494-E699 IonicContact NZ-OE1 2.65Å; K494-E699 PolarHBondContact NZ-OE1 2.9Å; K494-F708 HydrophobicContact CB-CE1 4.49Å; K494-F708 HydrophobicContact CB-CE2 4.09Å; K494-F708 HydrophobicContact CB-CZ 3.87Å; K494-F708 HydrophobicContact CD-CD1 4.26Å; K494-F708 HydrophobicContact CD-CE1 4.06Å; K494-F708 HydrophobicContact CD-CZ 4.23Å; K494-F708 HydrophobicContact CG-CE1 4Å; K494-F708 HydrophobicContact CG-CE2 4.45Å; K494-F708 HydrophobicContact CG-CZ 3.87Å |
| 495 | I | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 175.9 | -69.3 | 162.9 | 0 | 0 | 0 | 110.6 | I271 S491 K492 K497 L498 V499 W507 L512 T514 | I271-I495 HydrophobicContact CD1-CG2 4.18Å; S491-I495 PolarHBondContact O-N 2.88Å; K492-I495 PolarHBondContact O-N 3.11Å; I495-K497 VanDerWaalsContact C-N 3.26Å; I495-K497 PolarHBondContact O-N 3.4Å; I495-L498 WeakPolarHBondContact O-CB 2.94Å; I495-L498 PolarHBondContact O-N 2.75Å; I495-V499 WeakPolarHBondContact O-CG2 3.17Å; I495-V499 PolarHBondContact O-N 2.91Å; I495-V499 VanDerWaalsContact O-N 3.1Å; I495-W507 HydrophobicContact CG2-CB 3.95Å; I495-L512 HydrophobicContact CG2-CD1 3.94Å; I495-T514 HydrophobicContact CD1-CG2 3.71Å |
| 496 | I | 91.4 | Very high | 92 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 175.9 | -69.2 | 171.2 | 0 | 0 | 0 | 110.4 | K492 L498 V499 E500 | K492-I496 HydrophobicContact CD-CD1 4.42Å; K492-I496 HydrophobicContact CG-CD1 3.74Å; K492-I496 HydrophobicContact CG-CG1 4.42Å; K492-I496 WeakPolarHBondContact O-CB 3.16Å; K492-I496 WeakPolarHBondContact O-CG1 3.04Å; K492-I496 PolarHBondContact O-N 3.3Å; I496-L498 VanDerWaalsContact C-N 3.32Å; I496-L498 PolarHBondContact O-N 2.88Å; I496-V499 WeakPolarHBondContact O-CB 3.37Å; I496-V499 PolarHBondContact O-N 2.87Å; I496-V499 VanDerWaalsContact O-N 3.08Å; I496-E500 HydrophobicContact CG2-CG 4.13Å; I496-E500 WeakPolarHBondContact CG2-OE1 3.48Å; I496-E500 WeakPolarHBondContact O-CG 3.24Å; I496-E500 PolarHBondContact O-N 3.33Å |
| 497 | K | 93.9 | Very high | 91.9 | Very high | 85 Ų | 85 | 58 Ų | 58 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 175.8 | -163.8 | 177.5 | -172.6 | -162.8 | 0 | 112.8 | R493 K494 I495 V499 E500 E501 F708 L709 | R493-K497 WeakPolarHBondContact O-CB 3.31Å; R493-K497 PolarHBondContact O-N 3.15Å; K494-K497 WeakPolarHBondContact O-CB 3.41Å; K494-K497 PolarHBondContact O-N 2.7Å; I495-K497 VanDerWaalsContact C-N 3.26Å; I495-K497 PolarHBondContact O-N 3.4Å; K497-V499 VanDerWaalsContact C-N 3.28Å; K497-V499 PolarHBondContact O-N 3.43Å; K497-E500 PolarHBondContact O-N 3.38Å; K497-E501 HydrophobicContact CG-CG 4.25Å; K497-E501 WeakPolarHBondContact O-CB 3.27Å; K497-E501 WeakPolarHBondContact O-CG 3.48Å; K497-E501 PolarHBondContact O-N 3.23Å; K497-F708 HydrophobicContact CD-CZ 4.27Å; K497-L709 HydrophobicContact CD-CD1 3.82Å; K497-L709 VanDerWaalsContact CE-CD1 3.44Å; K497-L709 HydrophobicContact CG-CD1 4.3Å; K497-L709 VanDerWaalsContact NZ-CD1 3.31Å |
| 498 | L | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -34.1 | 175.3 | -68.2 | 168.5 | 0 | 0 | 0 | 112.4 | V489 K494 I495 I496 G502 T503 V504 L512 L692 F693 F708 L709 I712 | V489-L498 HydrophobicContact CG2-CD1 3.72Å; K494-L498 WeakPolarHBondContact O-CG 3.46Å; K494-L498 PolarHBondContact O-N 3.23Å; I495-L498 WeakPolarHBondContact O-CB 2.94Å; I495-L498 PolarHBondContact O-N 2.75Å; I496-L498 VanDerWaalsContact C-N 3.32Å; I496-L498 PolarHBondContact O-N 2.88Å; L498-G502 PolarHBondContact O-N 3.13Å; L498-T503 HydrophobicContact CD2-CG2 4.05Å; L498-T503 WeakPolarHBondContact O-CB 3.41Å; L498-T503 PolarHBondContact O-N 3.16Å; L498-V504 HydrophobicContact CB-CG2 3.73Å; L498-V504 PolarHBondContact O-N 3.08Å; L498-L512 HydrophobicContact CD1-CD2 4.09Å; L498-L692 HydrophobicContact CD1-CD2 4.2Å; L498-F693 HydrophobicContact CD1-CZ 4.25Å; L498-F708 HydrophobicContact CD2-CE2 4.03Å; L498-F708 HydrophobicContact CG-CE2 4.14Å; L498-L709 HydrophobicContact CD2-CD2 3.62Å; L498-I712 HydrophobicContact CD2-CD1 3.83Å |
| 499 | V | 93.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 26% | 0.255 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72.1 | -47.2 | 176 | 178 | 0 | 0 | 0 | 0 | 110.5 | I495 I496 K497 E501 G502 V504 | I495-V499 WeakPolarHBondContact O-CG2 3.17Å; I495-V499 PolarHBondContact O-N 2.91Å; I495-V499 VanDerWaalsContact O-N 3.1Å; I496-V499 WeakPolarHBondContact O-CB 3.37Å; I496-V499 PolarHBondContact O-N 2.87Å; I496-V499 VanDerWaalsContact O-N 3.08Å; K497-V499 VanDerWaalsContact C-N 3.28Å; K497-V499 PolarHBondContact O-N 3.43Å; V499-E501 VanDerWaalsContact C-N 3.32Å; V499-E501 PolarHBondContact O-N 2.97Å; V499-G502 PolarHBondContact O-N 3.07Å; V499-V504 HydrophobicContact CG2-CG2 3.72Å |
| 500 | E | 94 | Very high | 92.4 | Very high | 150 Ų | 150 | 57.6 Ų | 57.6 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.3 | -39.2 | 179.1 | -72.3 | 172.9 | 167.4 | 0 | 0 | 112.5 | I496 K497 G502 | I496-E500 HydrophobicContact CG2-CG 4.13Å; I496-E500 WeakPolarHBondContact CG2-OE1 3.48Å; I496-E500 WeakPolarHBondContact O-CG 3.24Å; I496-E500 PolarHBondContact O-N 3.33Å; K497-E500 PolarHBondContact O-N 3.38Å; E500-G502 PolarHBondContact O-N 2.96Å |
| 501 | E | 92.8 | Very high | 92.9 | Very high | 119 Ų | 119 | 57.6 Ų | 57.6 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 1.7 | 176.2 | -61.4 | -75 | 175.7 | 0 | 0 | 112.7 | K497 V499 T503 L709 | K497-E501 HydrophobicContact CG-CG 4.25Å; K497-E501 WeakPolarHBondContact O-CB 3.27Å; K497-E501 WeakPolarHBondContact O-CG 3.48Å; K497-E501 PolarHBondContact O-N 3.23Å; V499-E501 VanDerWaalsContact C-N 3.32Å; V499-E501 PolarHBondContact O-N 2.97Å; E501-T503 PolarHBondContact O-N 3.34Å; E501-L709 HydrophobicContact CG-CD1 4.38Å |
| 502 | G | 92.6 | Very high | 93.4 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 63% | 0.629 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 15 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L498 V499 E500 | L498-G502 PolarHBondContact O-N 3.13Å; V499-G502 PolarHBondContact O-N 3.07Å; E500-G502 PolarHBondContact O-N 2.96Å |
| 503 | T | 92.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -70 | -39.5 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | L498 E501 R511 L692 I712 | L498-T503 HydrophobicContact CD2-CG2 4.05Å; L498-T503 WeakPolarHBondContact O-CB 3.41Å; L498-T503 PolarHBondContact O-N 3.16Å; E501-T503 PolarHBondContact O-N 3.34Å; T503-R511 PolarHBondContact O-NH1 3.45Å; T503-R511 PolarHBondContact O-NH2 3.4Å; T503-L692 HydrophobicContact CG2-CD1 4.2Å; T503-I712 HydrophobicContact CG2-CB 4.41Å; T503-I712 HydrophobicContact CG2-CD1 3.77Å; T503-I712 HydrophobicContact CG2-CG1 3.89Å; T503-I712 HydrophobicContact CG2-CG2 3.65Å |
| 504 | V | 95.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -121.6 | 151 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | L498 V499 D509 L512 L692 | L498-V504 HydrophobicContact CB-CG2 3.73Å; L498-V504 PolarHBondContact O-N 3.08Å; V499-V504 HydrophobicContact CG2-CG2 3.72Å; V504-D509 HydrophobicContact CB-CB 3.82Å; V504-D509 HydrophobicContact CG1-CB 4.43Å; V504-L512 HydrophobicContact CG1-CD2 4.27Å; V504-L512 HydrophobicContact CG1-CG 4.44Å; V504-L512 HydrophobicContact CG2-CD1 4.22Å; V504-L692 HydrophobicContact CG1-CD1 4.14Å; V504-L692 HydrophobicContact CG1-CD2 3.94Å |
| 505 | R | 91.8 | Very high | 94.3 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 47% | 0.468 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -67.7 | -46.2 | -174.3 | -68.9 | -174.5 | 178.8 | -166.9 | 2.1 | 112.4 | D509 D751 | R505-D509 PolarHBondContact N-OD2 3.39Å; R505-D751 IonicContact NH1-OD2 3.95Å |
| 506 | D | 93.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -158.9 | -179.2 | 177.5 | -159.3 | 2 | 0 | 0 | 0 | 109.4 | D508 D509 | D506-D508 PolarHBondContact O-N 3.24Å; D506-D509 VanDerWaalsContact O-CB 3.25Å; D506-D509 WeakPolarHBondContact O-CB 3.37Å; D506-D509 PolarHBondContact O-N 3.25Å |
| 507 | W | 91.7 | Very high | 94.7 | Very high | 32 Ų | 32 | 39 Ų | 39 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.1 | 179 | 64.1 | -87 | 0 | 0 | 0 | 114.2 | I271 A313 I495 T514 T516 | I271-W507 HydrophobicContact CD1-CB 4.01Å; I271-W507 HydrophobicContact CD1-CG 4.43Å; I271-W507 HydrophobicContact CG2-CE3 3.92Å; A313-W507 HydrophobicContact CB-CH2 3.68Å; A313-W507 HydrophobicContact CB-CZ2 4.47Å; A313-W507 HydrophobicContact CB-CZ3 4.46Å; I495-W507 HydrophobicContact CG2-CB 3.95Å; W507-T514 WeakPolarHBondContact O-CG2 3.32Å; W507-T514 PolarHBondContact O-OG1 2.74Å; W507-T516 HydrophobicContact CH2-CG2 3.83Å; W507-T516 WeakPolarHBondContact CH2-OG1 3.46Å; W507-T516 HydrophobicContact CZ3-CG2 3.85Å; W507-T516 WeakPolarHBondContact CZ3-OG1 3.47Å |
| 508 | D | 94.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 35 Ų | 35 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 7.9 | 171.4 | 76.4 | -14.2 | 0 | 0 | 0 | 113.6 | D506 P510 T516 A517 R520 | D506-D508 PolarHBondContact O-N 3.24Å; D508-P510 WeakPolarHBondContact O-CD 3.32Å; D508-T516 HydrophobicContact CB-CG2 3.75Å; D508-A517 VanDerWaalsContact O-CA 3.31Å; D508-A517 WeakPolarHBondContact O-CA 3.43Å; D508-R520 VanDerWaalsContact CG-NH1 3.3Å; D508-R520 WeakPolarHBondContact O-CD 3.48Å; D508-R520 IonicContact OD1-NH1 2.82Å; D508-R520 PolarHBondContact OD1-NH1 2.83Å; D508-R520 VanDerWaalsContact OD1-NH1 3.09Å; D508-R520 VanDerWaalsContact OD2-CD 3.27Å; D508-R520 WeakPolarHBondContact OD2-CD 3.34Å; D508-R520 IonicContact OD2-CZ 3.64Å; D508-R520 IonicContact OD2-NE 2.75Å; D508-R520 IonicContact OD2-NH1 3.82Å; D508-R520 PolarHBondContact OD2-NH1 3.13Å |
| 509 | D | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | trans | -57.2 | 125.9 | 177.5 | -174.2 | -60.3 | 0 | 0 | 0 | 110.5 | V504 R505 D506 R511 L512 A517 | V504-D509 HydrophobicContact CB-CB 3.82Å; V504-D509 HydrophobicContact CG1-CB 4.43Å; R505-D509 PolarHBondContact N-OD2 3.39Å; D506-D509 VanDerWaalsContact O-CB 3.25Å; D506-D509 WeakPolarHBondContact O-CB 3.37Å; D506-D509 PolarHBondContact O-N 3.25Å; D509-R511 PolarHBondContact O-N 2.97Å; D509-R511 WeakPolarHBondContact OD1-CB 3.33Å; D509-R511 WeakPolarHBondContact OD1-CG 3.48Å; D509-R511 IonicContact OD1-CZ 3.81Å; D509-R511 PolarHBondContact OD1-N 3.31Å; D509-R511 IonicContact OD1-NE 3.78Å; D509-R511 PolarHBondContact OD1-NE 2.95Å; D509-R511 IonicContact OD1-NH2 2.58Å; D509-R511 IonicContact OD2-CZ 3.86Å; D509-R511 IonicContact OD2-NE 3.16Å; D509-R511 IonicContact OD2-NH2 3.93Å; D509-R511 PolarHBondContact OD2-NH2 2.88Å; D509-L512 HydrophobicContact CB-CD1 4.34Å; D509-L512 HydrophobicContact CB-CG 4.4Å; D509-L512 WeakPolarHBondContact O-CB 3.4Å; D509-L512 PolarHBondContact O-N 2.88Å; D509-A517 WeakPolarHBondContact O-CB 3.43Å | ||
| 510 | P | 97.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -12.9 | -175.6 | -34.2 | 40.9 | 0 | 0 | 0 | 116.9 | D508 L512 R520 R521 Y689 | D508-P510 WeakPolarHBondContact O-CD 3.32Å; P510-L512 VanDerWaalsContact C-N 3.34Å; P510-R520 HydrophobicContact CG-CG 4.22Å; P510-R521 HydrophobicContact CB-CB 3.76Å; P510-R521 HydrophobicContact CB-CG 4.07Å; P510-R521 HydrophobicContact CG-CB 4.46Å; P510-R521 WeakPolarHBondContact O-CD 3.49Å; P510-Y689 HydrophobicContact CB-CD1 4.18Å; P510-Y689 HydrophobicContact CB-CD2 3.86Å; P510-Y689 HydrophobicContact CB-CE1 3.9Å; P510-Y689 HydrophobicContact CB-CE2 3.63Å; P510-Y689 HydrophobicContact CB-CG 4.12Å; P510-Y689 HydrophobicContact CG-CD2 4.49Å; P510-Y689 HydrophobicContact CG-CE1 4.13Å; P510-Y689 HydrophobicContact CG-CE2 3.77Å; P510-Y689 WeakPolarHBondContact CG-OH 3.5Å |
| 511 | R | 96 | Very high | 95.4 | Very high | 24 Ų | 24 | 31.4 Ų | 31.4 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -15.6 | 174.7 | -63.5 | 171.6 | -71.6 | 170 | 0.3 | 113.2 | T503 D509 Y689 L692 S716 | T503-R511 PolarHBondContact O-NH1 3.45Å; T503-R511 PolarHBondContact O-NH2 3.4Å; D509-R511 PolarHBondContact O-N 2.97Å; D509-R511 WeakPolarHBondContact OD1-CB 3.33Å; D509-R511 WeakPolarHBondContact OD1-CG 3.48Å; D509-R511 IonicContact OD1-CZ 3.81Å; D509-R511 PolarHBondContact OD1-N 3.31Å; D509-R511 IonicContact OD1-NE 3.78Å; D509-R511 PolarHBondContact OD1-NE 2.95Å; D509-R511 IonicContact OD1-NH2 2.58Å; D509-R511 IonicContact OD2-CZ 3.86Å; D509-R511 IonicContact OD2-NE 3.16Å; D509-R511 IonicContact OD2-NH2 3.93Å; D509-R511 PolarHBondContact OD2-NH2 2.88Å; R511-Y689 HydrophobicContact CG-CD1 3.48Å; R511-Y689 VanDerWaalsContact CG-CD1 3.48Å; R511-Y689 HydrophobicContact CG-CE1 4.19Å; R511-Y689 HydrophobicContact CG-CG 4.28Å; R511-L692 HydrophobicContact CB-CB 4.19Å; R511-L692 HydrophobicContact CB-CD1 4.41Å; R511-S716 WeakPolarHBondContact CD-O 3.42Å; R511-S716 PolarHBondContact NH1-OG 3.25Å |
| 512 | L | 96.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -84.1 | 159.7 | 175.6 | -60.8 | 176.1 | 0 | 0 | 0 | 111.4 | I495 L498 V504 D509 P510 T514 A517 L692 | I495-L512 HydrophobicContact CG2-CD1 3.94Å; L498-L512 HydrophobicContact CD1-CD2 4.09Å; V504-L512 HydrophobicContact CG1-CD2 4.27Å; V504-L512 HydrophobicContact CG1-CG 4.44Å; V504-L512 HydrophobicContact CG2-CD1 4.22Å; D509-L512 HydrophobicContact CB-CD1 4.34Å; D509-L512 HydrophobicContact CB-CG 4.4Å; D509-L512 WeakPolarHBondContact O-CB 3.4Å; D509-L512 PolarHBondContact O-N 2.88Å; P510-L512 VanDerWaalsContact C-N 3.34Å; L512-T514 HydrophobicContact CB-CG2 4.26Å; L512-T514 HydrophobicContact CD1-CG2 4.47Å; L512-A517 HydrophobicContact CB-CB 3.9Å; L512-A517 WeakPolarHBondContact O-CB 3.21Å; L512-L692 HydrophobicContact CD2-CD2 3.97Å |
| 513 | F | 96.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 23 Ų | 23 | 7% | 0.066 | 10% | 0.103 | C | C | . | . | trans | -106.4 | 28.7 | 175.2 | -71.2 | -98.4 | 0 | 0 | 0 | 112.2 | H273 I274 L485 T488 L518 P546 | H273-F513 WeakPolarHBondContact CA-O 3.04Å; H273-F513 WeakPolarHBondContact CB-O 3.48Å; I274-F513 HydrophobicContact CG2-CB 4.33Å; I274-F513 PolarHBondContact N-O 3.11Å; L485-F513 HydrophobicContact CD1-CD1 3.42Å; L485-F513 VanDerWaalsContact CD1-CD1 3.42Å; L485-F513 HydrophobicContact CD1-CE1 3.57Å; L485-F513 HydrophobicContact CD1-CG 4.31Å; T488-F513 VanDerWaalsContact CB-CD2 3.5Å; T488-F513 HydrophobicContact CG2-CB 4.47Å; T488-F513 HydrophobicContact CG2-CD2 4.18Å; T488-F513 HydrophobicContact CG2-CG 4.39Å; T488-F513 VanDerWaalsContact OG1-CD2 3.26Å; T488-F513 WeakPolarHBondContact OG1-CD2 3.38Å; F513-L518 HydrophobicContact CD1-CD2 4.03Å; F513-L518 HydrophobicContact CE1-CD2 4.49Å; F513-P546 HydrophobicContact CE1-CB 4.07Å; F513-P546 HydrophobicContact CE1-CG 4.3Å; F513-P546 HydrophobicContact CZ-CB 3.79Å; F513-P546 HydrophobicContact CZ-CG 3.82Å | ||
| 514 | T | 96.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -69.5 | 150.2 | 164.1 | 71.3 | 0 | 0 | 0 | 0 | 108.6 | I271 L272 I495 W507 L512 T516 A517 L518 | I271-T514 HydrophobicContact CG2-CG2 3.46Å; I271-T514 VanDerWaalsContact CG2-CG2 3.46Å; L272-T514 CarbonylContact O-C 3.58Å; L272-T514 VanDerWaalsContact O-CA 3.27Å; L272-T514 WeakPolarHBondContact O-CA 3.49Å; L272-T514 WeakPolarHBondContact O-CB 2.97Å; I495-T514 HydrophobicContact CD1-CG2 3.71Å; W507-T514 WeakPolarHBondContact O-CG2 3.32Å; W507-T514 PolarHBondContact O-OG1 2.74Å; L512-T514 HydrophobicContact CB-CG2 4.26Å; L512-T514 HydrophobicContact CD1-CG2 4.47Å; T514-T516 VanDerWaalsContact C-N 3.28Å; T514-T516 PolarHBondContact O-N 3.29Å; T514-A517 PolarHBondContact O-N 3.27Å; T514-A517 WeakPolarHBondContact OG1-CB 3.46Å; T514-A517 PolarHBondContact OG1-N 2.75Å; T514-L518 WeakPolarHBondContact O-CG 3.43Å; T514-L518 PolarHBondContact O-N 2.83Å |
| 515 | L | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | -179.2 | -72.5 | -175.6 | 0 | 0 | 0 | 111.8 | L272 A277 I280 M317 L321 A517 L518 R519 I528 | L272-L515 HydrophobicContact CB-CB 4.38Å; L272-L515 HydrophobicContact CB-CD1 3.89Å; L272-L515 HydrophobicContact CB-CG 4.19Å; L272-L515 HydrophobicContact CD1-CD1 4.32Å; L272-L515 PolarHBondContact O-N 3.31Å; A277-L515 HydrophobicContact CB-CD2 4.01Å; I280-L515 HydrophobicContact CD1-CD1 4.1Å; M317-L515 HydrophobicContact CB-CB 4.39Å; M317-L515 HydrophobicContact CB-CD1 4.11Å; M317-L515 HydrophobicContact CG-CB 3.79Å; M317-L515 HydrophobicContact CG-CD1 4.39Å; M317-L515 VanDerWaalsContact SD-C 3.6Å; M317-L515 HydrophobicContact SD-CB 3.58Å; M317-L515 VanDerWaalsContact SD-CB 3.58Å; L321-L515 HydrophobicContact CD1-CD1 4.19Å; L515-A517 PolarHBondContact O-N 3.28Å; L515-L518 PolarHBondContact O-N 3.39Å; L515-R519 PolarHBondContact O-N 2.94Å; L515-I528 HydrophobicContact CD2-CD1 4.4Å |
| 516 | T | 95.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 21.8 Ų | 21.8 | 16% | 0.16 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 176.1 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | W507 D508 T514 R519 R520 | W507-T516 HydrophobicContact CH2-CG2 3.83Å; W507-T516 WeakPolarHBondContact CH2-OG1 3.46Å; W507-T516 HydrophobicContact CZ3-CG2 3.85Å; W507-T516 WeakPolarHBondContact CZ3-OG1 3.47Å; D508-T516 HydrophobicContact CB-CG2 3.75Å; T514-T516 VanDerWaalsContact C-N 3.28Å; T514-T516 PolarHBondContact O-N 3.29Å; T516-R519 PolarHBondContact O-N 3.4Å; T516-R520 WeakPolarHBondContact O-CB 3.45Å; T516-R520 PolarHBondContact O-N 2.91Å |
| 517 | A | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D508 D509 L512 T514 L515 R519 R520 R521 | D508-A517 VanDerWaalsContact O-CA 3.31Å; D508-A517 WeakPolarHBondContact O-CA 3.43Å; D509-A517 WeakPolarHBondContact O-CB 3.43Å; L512-A517 HydrophobicContact CB-CB 3.9Å; L512-A517 WeakPolarHBondContact O-CB 3.21Å; T514-A517 PolarHBondContact O-N 3.27Å; T514-A517 WeakPolarHBondContact OG1-CB 3.46Å; T514-A517 PolarHBondContact OG1-N 2.75Å; L515-A517 PolarHBondContact O-N 3.28Å; A517-R519 VanDerWaalsContact C-N 3.33Å; A517-R519 PolarHBondContact O-N 2.87Å; A517-R520 PolarHBondContact O-N 3.5Å; A517-R521 VanDerWaalsContact O-CB 3.28Å; A517-R521 WeakPolarHBondContact O-CB 3.22Å; A517-R521 PolarHBondContact O-N 2.96Å |
| 518 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 177.3 | -65 | 178.5 | 0 | 0 | 0 | 111.7 | I274 F513 T514 L515 R521 G522 F523 I528 L549 | I274-L518 HydrophobicContact CB-CD1 4.24Å; I274-L518 HydrophobicContact CD1-CD1 3.93Å; I274-L518 HydrophobicContact CG1-CD1 4.47Å; F513-L518 HydrophobicContact CD1-CD2 4.03Å; F513-L518 HydrophobicContact CE1-CD2 4.49Å; T514-L518 WeakPolarHBondContact O-CG 3.43Å; T514-L518 PolarHBondContact O-N 2.83Å; L515-L518 PolarHBondContact O-N 3.39Å; L518-R521 PolarHBondContact O-N 3.33Å; L518-G522 PolarHBondContact O-N 3.09Å; L518-F523 HydrophobicContact CB-CB 4.47Å; L518-F523 HydrophobicContact CB-CD2 4.14Å; L518-F523 HydrophobicContact CB-CG 4.39Å; L518-F523 HydrophobicContact CD2-CD2 3.93Å; L518-F523 HydrophobicContact CD2-CE2 3.75Å; L518-F523 HydrophobicContact CD2-CZ 4.32Å; L518-F523 HydrophobicContact CG-CD2 4.42Å; L518-F523 WeakPolarHBondContact O-CB 3.32Å; L518-F523 PolarHBondContact O-N 2.94Å; L518-I528 HydrophobicContact CB-CD1 4.29Å; L518-I528 HydrophobicContact CD1-CD1 4.22Å; L518-L549 HydrophobicContact CD1-CD2 4.32Å |
| 519 | R | 97.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 16.9 Ų | 16.9 | 25% | 0.253 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 171.3 | 179.9 | 179.3 | 170.8 | -178.3 | -2.6 | 111.5 | W320 L515 T516 A517 G522 F735 | W320-R519 HydrophobicContact CD2-CB 4.32Å; W320-R519 HydrophobicContact CD2-CG 4.27Å; W320-R519 HydrophobicContact CH2-CB 3.8Å; W320-R519 HydrophobicContact CZ2-CB 3.62Å; W320-R519 HydrophobicContact CZ2-CG 3.88Å; W320-R519 HydrophobicContact CZ3-CB 4.27Å; L515-R519 PolarHBondContact O-N 2.94Å; T516-R519 PolarHBondContact O-N 3.4Å; A517-R519 VanDerWaalsContact C-N 3.33Å; A517-R519 PolarHBondContact O-N 2.87Å; R519-G522 WeakPolarHBondContact O-CA 3.22Å; R519-G522 PolarHBondContact O-N 3.21Å; R519-F735 HydrophobicContact CG-CD1 4.38Å; R519-F735 HydrophobicContact CG-CE1 4.17Å |
| 520 | R | 97.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 20.4 Ų | 20.4 | 10% | 0.102 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.8 | -34.7 | 178.3 | -173.8 | 172 | -178.1 | 167 | 5.8 | 113.1 | D508 P510 T516 A517 G522 D749 P750 D751 N760 | D508-R520 VanDerWaalsContact CG-NH1 3.3Å; D508-R520 WeakPolarHBondContact O-CD 3.48Å; D508-R520 IonicContact OD1-NH1 2.82Å; D508-R520 PolarHBondContact OD1-NH1 2.83Å; D508-R520 VanDerWaalsContact OD1-NH1 3.09Å; D508-R520 VanDerWaalsContact OD2-CD 3.27Å; D508-R520 WeakPolarHBondContact OD2-CD 3.34Å; D508-R520 IonicContact OD2-CZ 3.64Å; D508-R520 IonicContact OD2-NE 2.75Å; D508-R520 IonicContact OD2-NH1 3.82Å; D508-R520 PolarHBondContact OD2-NH1 3.13Å; P510-R520 HydrophobicContact CG-CG 4.22Å; T516-R520 WeakPolarHBondContact O-CB 3.45Å; T516-R520 PolarHBondContact O-N 2.91Å; A517-R520 PolarHBondContact O-N 3.5Å; R520-G522 PolarHBondContact O-N 3.41Å; R520-D749 WeakPolarHBondContact CG-OD2 3.24Å; R520-D749 IonicContact CZ-OD1 3.74Å; R520-D749 IonicContact CZ-OD2 2.78Å; R520-D749 IonicContact NE-OD1 3.41Å; R520-D749 IonicContact NE-OD2 3.33Å; R520-D749 PolarHBondContact NE-OD2 2.6Å; R520-D749 IonicContact NH2-OD1 3.73Å; R520-D749 PolarHBondContact NH2-OD1 3.01Å; R520-D749 IonicContact NH2-OD2 3.26Å; R520-D749 PolarHBondContact NH2-OD2 2.99Å; R520-P750 HydrophobicContact CG-CG 4.42Å; R520-D751 IonicContact CZ-OD1 2.8Å; R520-D751 IonicContact NH2-OD1 3.92Å; R520-D751 PolarHBondContact NH2-OD1 2.9Å; R520-D751 IonicContact NH2-OD2 3.12Å; R520-D751 PolarHBondContact NH2-OD2 3.19Å; R520-D751 VanDerWaalsContact NH2-OD2 3.16Å; R520-N760 PolarHBondContact O-ND2 3.49Å |
| 521 | R | 97.9 | Very high | 96 | Very high | 24 Ų | 24 | 20.4 Ų | 20.4 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.4 | -26.7 | 170.7 | -174.5 | 172.7 | 176.3 | 179 | -8.8 | 112 | P510 A517 L518 F523 E550 T762 | P510-R521 HydrophobicContact CB-CB 3.76Å; P510-R521 HydrophobicContact CB-CG 4.07Å; P510-R521 HydrophobicContact CG-CB 4.46Å; P510-R521 WeakPolarHBondContact O-CD 3.49Å; A517-R521 VanDerWaalsContact O-CB 3.28Å; A517-R521 WeakPolarHBondContact O-CB 3.22Å; A517-R521 PolarHBondContact O-N 2.96Å; L518-R521 PolarHBondContact O-N 3.33Å; R521-F523 HydrophobicContact CB-CD1 4.41Å; R521-F523 VanDerWaalsContact CD-CE1 3.5Å; R521-F523 HydrophobicContact CG-CD1 4.14Å; R521-F523 HydrophobicContact CG-CE1 3.89Å; R521-E550 IonicContact CZ-OE1 2.97Å; R521-E550 IonicContact NH1-OE1 2.74Å; R521-E550 IonicContact NH2-OE1 3.82Å; R521-E550 PolarHBondContact NH2-OE1 3.33Å; R521-T762 PolarHBondContact NE-O 3.32Å; R521-T762 PolarHBondContact NH2-O 2.95Å; R521-T762 VanDerWaalsContact NH2-O 3.08Å; R521-T762 WeakPolarHBondContact O-CA 3.31Å; R521-T762 PolarHBondContact O-OG1 3.06Å; R521-T762 VanDerWaalsContact O-OG1 3.14Å |
| 522 | G | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.8 | 15 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L518 R519 R520 A747 T762 | L518-G522 PolarHBondContact O-N 3.09Å; R519-G522 WeakPolarHBondContact O-CA 3.22Å; R519-G522 PolarHBondContact O-N 3.21Å; R520-G522 PolarHBondContact O-N 3.41Å; G522-A747 VanDerWaalsContact CA-CB 3.43Å; G522-T762 WeakPolarHBondContact O-CG2 3.49Å |
| 523 | F | 98.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | trans | -68.2 | 135.8 | 178.2 | -73.7 | 18.5 | 0 | 0 | 0 | 108.6 | W320 L518 R521 L549 E550 V553 T762 | W320-F523 VanDerWaalsContact CZ2-O 3.3Å; W320-F523 WeakPolarHBondContact CZ2-O 3.43Å; L518-F523 HydrophobicContact CB-CB 4.47Å; L518-F523 HydrophobicContact CB-CD2 4.14Å; L518-F523 HydrophobicContact CB-CG 4.39Å; L518-F523 HydrophobicContact CD2-CD2 3.93Å; L518-F523 HydrophobicContact CD2-CE2 3.75Å; L518-F523 HydrophobicContact CD2-CZ 4.32Å; L518-F523 HydrophobicContact CG-CD2 4.42Å; L518-F523 WeakPolarHBondContact O-CB 3.32Å; L518-F523 PolarHBondContact O-N 2.94Å; R521-F523 HydrophobicContact CB-CD1 4.41Å; R521-F523 VanDerWaalsContact CD-CE1 3.5Å; R521-F523 HydrophobicContact CG-CD1 4.14Å; R521-F523 HydrophobicContact CG-CE1 3.89Å; F523-L549 HydrophobicContact CD2-CD1 4.49Å; F523-L549 HydrophobicContact CD2-CD2 4.26Å; F523-L549 HydrophobicContact CD2-CG 4.28Å; F523-L549 HydrophobicContact CE2-CD1 4.43Å; F523-L549 HydrophobicContact CE2-CD2 3.72Å; F523-L549 HydrophobicContact CE2-CG 3.76Å; F523-E550 HydrophobicContact CZ-CG 4.16Å; F523-V553 HydrophobicContact CB-CG2 4.19Å; F523-V553 HydrophobicContact CD1-CG1 4.05Å; F523-V553 HydrophobicContact CD1-CG2 3.94Å; F523-V553 HydrophobicContact CD2-CG2 3.52Å; F523-V553 HydrophobicContact CE1-CG1 4.28Å; F523-V553 HydrophobicContact CE1-CG2 4.13Å; F523-V553 HydrophobicContact CE2-CG2 3.75Å; F523-V553 HydrophobicContact CG-CG1 4.42Å; F523-V553 HydrophobicContact CG-CG2 3.62Å; F523-V553 HydrophobicContact CZ-CG2 4.04Å; F523-T762 HydrophobicContact CD1-CG2 3.49Å; F523-T762 VanDerWaalsContact CD1-CG2 3.49Å; F523-T762 HydrophobicContact CE1-CG2 3.79Å | ||
| 524 | P | 97.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 8% | 0.084 | 13% | 0.125 | C | C | . | . | trans | -76.4 | 145.3 | 168.9 | 29 | -28.5 | 0 | 0 | 0 | 109.8 | E526 A527 I528 V556 L557 | P524-E526 PolarHBondContact O-N 2.87Å; P524-A527 HydrophobicContact CG-CB 3.72Å; P524-A527 WeakPolarHBondContact O-CB 3.31Å; P524-A527 PolarHBondContact O-N 3.28Å; P524-A527 VanDerWaalsContact O-N 3.09Å; P524-I528 PolarHBondContact O-N 3.27Å; P524-V556 HydrophobicContact CB-CG1 3.94Å; P524-V556 HydrophobicContact CG-CB 3.91Å; P524-V556 HydrophobicContact CG-CG1 3.52Å; P524-L557 HydrophobicContact CG-CD2 4Å; P524-L557 HydrophobicContact CG-CG 4.22Å | ||
| 525 | S | 96.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 26.6 Ų | 26.6 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -37.1 | 178.7 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | W320 A527 I528 N529 | W320-S525 WeakPolarHBondContact O-CB 3.25Å; W320-S525 PolarHBondContact O-OG 2.96Å; W320-S525 VanDerWaalsContact O-OG 3.07Å; S525-A527 VanDerWaalsContact C-N 3.26Å; S525-A527 PolarHBondContact O-N 2.8Å; S525-I528 PolarHBondContact O-N 3.23Å; S525-N529 PolarHBondContact O-N 3.2Å |
| 526 | E | 94.6 | Very high | 92.7 | Very high | 94 Ų | 94 | 27.3 Ų | 27.3 | 44% | 0.439 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -53.3 | -41.3 | 173.1 | -66 | 167.1 | -178.4 | 0 | 0 | 112.3 | P524 I528 N529 N530 V556 | P524-E526 PolarHBondContact O-N 2.87Å; E526-I528 PolarHBondContact O-N 3.17Å; E526-N529 PolarHBondContact O-N 2.87Å; E526-N530 VanDerWaalsContact O-CB 3.26Å; E526-N530 WeakPolarHBondContact O-CB 3.18Å; E526-N530 PolarHBondContact O-N 2.99Å; E526-N530 PolarHBondContact O-ND2 3.05Å; E526-N530 PolarHBondContact O-OD1 3.14Å; E526-V556 HydrophobicContact CB-CG1 4.19Å; E526-V556 HydrophobicContact CB-CG2 4.3Å; E526-V556 WeakPolarHBondContact OE2-CG1 3.49Å |
| 527 | A | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -36.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P524 S525 F531 C552 V553 V556 | P524-A527 HydrophobicContact CG-CB 3.72Å; P524-A527 WeakPolarHBondContact O-CB 3.31Å; P524-A527 PolarHBondContact O-N 3.28Å; P524-A527 VanDerWaalsContact O-N 3.09Å; S525-A527 VanDerWaalsContact C-N 3.26Å; S525-A527 PolarHBondContact O-N 2.8Å; A527-F531 VanDerWaalsContact O-CB 3.32Å; A527-F531 WeakPolarHBondContact O-CB 3.18Å; A527-F531 PolarHBondContact O-N 2.56Å; A527-C552 HydrophobicContact CB-CB 4.42Å; A527-V553 HydrophobicContact CB-CB 4.25Å; A527-V553 HydrophobicContact CB-CG2 3.74Å; A527-V556 HydrophobicContact CB-CB 4.3Å; A527-V556 HydrophobicContact CB-CG2 3.96Å |
| 528 | I | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -42.7 | 176 | -64.6 | -176.2 | 0 | 0 | 0 | 110.7 | I274 A277 W320 L321 L515 L518 P524 S525 E526 F531 C532 L549 | I274-I528 HydrophobicContact CD1-CG2 4.01Å; A277-I528 HydrophobicContact CB-CG2 3.54Å; W320-I528 HydrophobicContact CH2-CD1 3.36Å; W320-I528 HydrophobicContact CZ2-CD1 4.5Å; W320-I528 HydrophobicContact CZ3-CD1 3.63Å; L321-I528 HydrophobicContact CD2-CB 4.06Å; L321-I528 HydrophobicContact CD2-CD1 4.45Å; L321-I528 HydrophobicContact CD2-CG2 3.9Å; L515-I528 HydrophobicContact CD2-CD1 4.4Å; L518-I528 HydrophobicContact CB-CD1 4.29Å; L518-I528 HydrophobicContact CD1-CD1 4.22Å; P524-I528 PolarHBondContact O-N 3.27Å; S525-I528 PolarHBondContact O-N 3.23Å; E526-I528 PolarHBondContact O-N 3.17Å; I528-F531 PolarHBondContact O-N 3.34Å; I528-C532 PolarHBondContact O-N 3.06Å; I528-C532 PolarHBondContact O-SG 3.46Å; I528-L549 HydrophobicContact CG1-CD1 4.42Å |
| 529 | N | 92.5 | Very high | 89.1 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.8 | -66.5 | -11.2 | 0 | 0 | 0 | 110.9 | N281 L321 S525 E526 F531 C532 A533 | N281-N529 PolarHBondContact ND2-OD1 3.17Å; N281-N529 WeakPolarHBondContact OD1-CB 3.19Å; N281-N529 PolarHBondContact OD1-OD1 2.85Å; N281-N529 VanDerWaalsContact OD1-OD1 3.11Å; L321-N529 PolarHBondContact O-ND2 2.64Å; S525-N529 PolarHBondContact O-N 3.2Å; E526-N529 PolarHBondContact O-N 2.87Å; N529-F531 VanDerWaalsContact C-N 3.3Å; N529-F531 PolarHBondContact O-N 3.3Å; N529-C532 PolarHBondContact O-N 2.93Å; N529-A533 PolarHBondContact O-N 3.48Å |
| 530 | N | 90.4 | Very high | 88 | Confident | 76 Ų | 76 | 34.9 Ų | 34.9 | 41% | 0.406 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 174.6 | -70.5 | -13 | 0 | 0 | 0 | 112 | E526 A533 K534 | E526-N530 VanDerWaalsContact O-CB 3.26Å; E526-N530 WeakPolarHBondContact O-CB 3.18Å; E526-N530 PolarHBondContact O-N 2.99Å; E526-N530 PolarHBondContact O-ND2 3.05Å; E526-N530 PolarHBondContact O-OD1 3.14Å; N530-A533 WeakPolarHBondContact O-CB 3.36Å; N530-A533 PolarHBondContact O-N 3.01Å; N530-K534 WeakPolarHBondContact O-CG 3.36Å; N530-K534 PolarHBondContact O-N 3.13Å |
| 531 | F | 92.1 | Very high | 87 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 173.8 | 175.7 | -114.5 | 0 | 0 | 0 | 111.6 | I274 L483 L485 A527 I528 N529 A533 K534 V535 M544 M548 L549 C552 | I274-F531 HydrophobicContact CD1-CD1 4.44Å; I274-F531 HydrophobicContact CG1-CE1 4.39Å; L483-F531 HydrophobicContact CD1-CE1 4.28Å; L483-F531 HydrophobicContact CD1-CZ 4.37Å; L483-F531 HydrophobicContact CD2-CD1 4.48Å; L483-F531 HydrophobicContact CD2-CE1 3.87Å; L485-F531 HydrophobicContact CD2-CE1 4.41Å; L485-F531 HydrophobicContact CD2-CZ 4.08Å; A527-F531 VanDerWaalsContact O-CB 3.32Å; A527-F531 WeakPolarHBondContact O-CB 3.18Å; A527-F531 PolarHBondContact O-N 2.56Å; I528-F531 PolarHBondContact O-N 3.34Å; N529-F531 VanDerWaalsContact C-N 3.3Å; N529-F531 PolarHBondContact O-N 3.3Å; F531-A533 VanDerWaalsContact C-N 3.29Å; F531-A533 PolarHBondContact O-N 3.08Å; F531-K534 PolarHBondContact O-N 3.11Å; F531-V535 HydrophobicContact CD2-CG2 4.21Å; F531-V535 HydrophobicContact CE1-CG2 4.23Å; F531-V535 HydrophobicContact CE2-CG2 3.79Å; F531-V535 HydrophobicContact CZ-CG2 3.81Å; F531-V535 VanDerWaalsContact O-CG2 3.31Å; F531-V535 WeakPolarHBondContact O-CG2 3.39Å; F531-V535 PolarHBondContact O-N 3.31Å; F531-M544 HydrophobicContact CZ-CB 4.17Å; F531-M544 HydrophobicContact CZ-CG 4.37Å; F531-M548 HydrophobicContact CE2-CB 4.13Å; F531-L549 HydrophobicContact CB-CD1 3.71Å; F531-L549 HydrophobicContact CD1-CB 4.3Å; F531-L549 HydrophobicContact CD1-CD1 3.77Å; F531-L549 HydrophobicContact CD1-CG 4.48Å; F531-L549 HydrophobicContact CD2-CB 4.12Å; F531-L549 HydrophobicContact CD2-CD1 4.41Å; F531-L549 HydrophobicContact CE1-CB 4.29Å; F531-L549 HydrophobicContact CE1-CD1 4.48Å; F531-L549 HydrophobicContact CE2-CB 4.16Å; F531-L549 HydrophobicContact CG-CB 4.2Å; F531-L549 HydrophobicContact CG-CD1 3.71Å; F531-L549 HydrophobicContact CZ-CB 4.24Å; F531-C552 HydrophobicContact CB-CB 4.34Å |
| 532 | C | 89.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -39 | 175.6 | -65.6 | 0 | 0 | 0 | 0 | 112 | N281 I528 N529 G536 | N281-C532 HydrophobicContact CB-CB 4.13Å; I528-C532 PolarHBondContact O-N 3.06Å; I528-C532 PolarHBondContact O-SG 3.46Å; N529-C532 PolarHBondContact O-N 2.93Å; C532-G536 PolarHBondContact O-N 3.39Å; C532-G536 VanDerWaalsContact O-N 3.11Å |
| 533 | A | 83.9 | Confident | 85.3 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -52.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L216 N529 N530 F531 V535 G536 | L216-A533 HydrophobicContact CB-CB 3.77Å; L216-A533 HydrophobicContact CD1-CB 3.67Å; L216-A533 HydrophobicContact CG-CB 4.22Å; N529-A533 PolarHBondContact O-N 3.48Å; N530-A533 WeakPolarHBondContact O-CB 3.36Å; N530-A533 PolarHBondContact O-N 3.01Å; F531-A533 VanDerWaalsContact C-N 3.29Å; F531-A533 PolarHBondContact O-N 3.08Å; A533-V535 VanDerWaalsContact C-N 3.28Å; A533-V535 PolarHBondContact O-N 2.97Å; A533-G536 WeakPolarHBondContact O-CA 3.45Å; A533-G536 PolarHBondContact O-N 3.46Å |
| 534 | K | 82.9 | Confident | 84.9 | Confident | 135 Ų | 135 | 44.8 Ų | 44.8 | 59% | 0.587 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.6 | -35.8 | 178.9 | -74.8 | -179 | -174.6 | 174.8 | 0 | 113.2 | N530 F531 G536 C552 D555 | N530-K534 WeakPolarHBondContact O-CG 3.36Å; N530-K534 PolarHBondContact O-N 3.13Å; F531-K534 PolarHBondContact O-N 3.11Å; K534-G536 VanDerWaalsContact C-N 3.31Å; K534-C552 PolarHBondContact NZ-SG 2.88Å; K534-D555 IonicContact NZ-OD2 2.82Å; K534-D555 PolarHBondContact NZ-OD2 3.31Å |
| 535 | V | 82.4 | Confident | 84.5 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 13% | 0.127 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.7 | -33.5 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L483 F531 A533 A542 M544 | L483-V535 HydrophobicContact CD1-CG1 4.35Å; L483-V535 HydrophobicContact CD1-CG2 4.4Å; F531-V535 HydrophobicContact CD2-CG2 4.21Å; F531-V535 HydrophobicContact CE1-CG2 4.23Å; F531-V535 HydrophobicContact CE2-CG2 3.79Å; F531-V535 HydrophobicContact CZ-CG2 3.81Å; F531-V535 VanDerWaalsContact O-CG2 3.31Å; F531-V535 WeakPolarHBondContact O-CG2 3.39Å; F531-V535 PolarHBondContact O-N 3.31Å; A533-V535 VanDerWaalsContact C-N 3.28Å; A533-V535 PolarHBondContact O-N 2.97Å; V535-A542 HydrophobicContact CG1-CB 4.4Å; V535-M544 HydrophobicContact CG1-CE 4.23Å; V535-M544 HydrophobicContact CG2-CE 4.21Å; V535-M544 HydrophobicContact CG2-CG 4.3Å |
| 536 | G | 73.1 | Confident | 84.4 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | trans | 71.1 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K278 C532 A533 K534 | K278-G536 WeakPolarHBondContact CE-O 3.27Å; K278-G536 PolarHBondContact NZ-O 2.78Å; C532-G536 PolarHBondContact O-N 3.39Å; C532-G536 VanDerWaalsContact O-N 3.11Å; A533-G536 WeakPolarHBondContact O-CA 3.45Å; A533-G536 PolarHBondContact O-N 3.46Å; K534-G536 VanDerWaalsContact C-N 3.31Å | ||
| 537 | V | 72.3 | Confident | 84.2 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | trans | -106.3 | 101.3 | -179.4 | -176 | 0 | 0 | 0 | 0 | 108.6 | L220 L225 F282 | L220-V537 HydrophobicContact CD2-CG2 4Å; L225-V537 HydrophobicContact CD2-CB 3.93Å; L225-V537 HydrophobicContact CD2-CG1 4.07Å; L225-V537 HydrophobicContact CD2-CG2 4.44Å; F282-V537 HydrophobicContact CD2-CG1 4.23Å; F282-V537 HydrophobicContact CD2-CG2 3.6Å; F282-V537 HydrophobicContact CE1-CG1 4.13Å; F282-V537 HydrophobicContact CE2-CB 4.08Å; F282-V537 HydrophobicContact CE2-CG1 3.5Å; F282-V537 VanDerWaalsContact CE2-CG1 3.5Å; F282-V537 HydrophobicContact CE2-CG2 3.47Å; F282-V537 VanDerWaalsContact CE2-CG2 3.47Å; F282-V537 HydrophobicContact CZ-CB 4.48Å; F282-V537 HydrophobicContact CZ-CG1 3.43Å; F282-V537 VanDerWaalsContact CZ-CG1 3.43Å; F282-V537 HydrophobicContact CZ-CG2 4.28Å | ||
| 538 | T | 70.8 | Confident | 83.9 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 44% | 0.436 | 26% | 0.262 | S | S | . | . | trans | -126.6 | 158.3 | 173.1 | 65.8 | 0 | 0 | 0 | 0 | 109.7 | G481 A540 | G481-T538 PolarHBondContact N-O 3.4Å; T538-A540 VanDerWaalsContact C-N 3.32Å; T538-A540 PolarHBondContact OG1-O 2.94Å | ||
| 539 | V | 72.6 | Confident | 83.9 | Confident | 75 Ų | 75 | 47.2 Ų | 47.2 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -76.4 | -23.2 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | K454 | K454-V539 HydrophobicContact CD-CG1 4.03Å; K454-V539 VanDerWaalsContact CD-O 3.26Å; K454-V539 WeakPolarHBondContact CD-O 3.2Å |
| 540 | A | 74.1 | Confident | 84 | Confident | 59 Ų | 59 | 48 Ų | 48 | 49% | 0.488 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -70.9 | 137.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | G481 T538 A542 | G481-A540 WeakPolarHBondContact CA-O 3.44Å; T538-A540 VanDerWaalsContact C-N 3.32Å; T538-A540 PolarHBondContact OG1-O 2.94Å; A540-A542 PolarHBondContact O-N 3.18Å |
| 541 | Q | 76.9 | Confident | 84.2 | Confident | 115 Ų | 115 | 46 Ų | 46 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | trans | -61.2 | 134.1 | 169.5 | -76.3 | 179.6 | -25.4 | 0 | 0 | 109.2 | E455 | E455-Q541 PolarHBondContact OE1-NE2 2.98Š| ||
| 542 | A | 75 | Confident | 84.3 | Confident | 14 Ų | 14 | 46 Ų | 46 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R482 N484 V535 A540 M544 | R482-A542 PolarHBondContact O-N 3.34Å; N484-A542 PolarHBondContact N-O 3.21Å; V535-A542 HydrophobicContact CG1-CB 4.4Å; A540-A542 PolarHBondContact O-N 3.18Å; A542-M544 HydrophobicContact CB-CE 4.16Å |
| 543 | T | 85.1 | Confident | 84.6 | Confident | 85 Ų | 85 | 45.6 Ų | 45.6 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.7 | 170.8 | -61.3 | 0 | 0 | 0 | 0 | 108 | N484 T486 | N484-T543 WeakPolarHBondContact O-CA 3.13Å; T486-T543 HydrophobicContact CG2-CG2 3.52Å |
| 544 | M | 89.1 | Confident | 85.2 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.2 | -175.9 | -63.4 | -51.6 | -169.1 | 0 | 0 | 110.8 | L483 N484 L485 T486 F531 V535 A542 M548 | L483-M544 HydrophobicContact CD1-CB 4.45Å; L483-M544 HydrophobicContact CD1-CG 4.02Å; N484-M544 PolarHBondContact O-N 3.46Å; L485-M544 VanDerWaalsContact CA-O 3.28Å; L485-M544 WeakPolarHBondContact CA-O 3.36Å; L485-M544 HydrophobicContact CD2-CB 3.71Å; L485-M544 WeakPolarHBondContact CD2-O 3.35Å; T486-M544 PolarHBondContact N-O 2.85Å; T486-M544 VanDerWaalsContact N-O 3.1Å; F531-M544 HydrophobicContact CZ-CB 4.17Å; F531-M544 HydrophobicContact CZ-CG 4.37Å; V535-M544 HydrophobicContact CG1-CE 4.23Å; V535-M544 HydrophobicContact CG2-CE 4.21Å; V535-M544 HydrophobicContact CG2-CG 4.3Å; A542-M544 HydrophobicContact CB-CE 4.16Å; M544-M548 HydrophobicContact CB-CE 3.47Å; M544-M548 VanDerWaalsContact CB-CE 3.47Å; M544-M548 HydrophobicContact CG-CE 3.73Å; M544-M548 HydrophobicContact SD-CE 3.31Å; M544-M548 WeakPolarHBondContact SD-CE 3.41Å |
| 545 | E | 90.2 | Very high | 85.7 | Confident | 54 Ų | 54 | 44.1 Ų | 44.1 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | trans | -88.6 | 145 | 173.5 | -62.4 | -167 | -178.1 | 0 | 0 | 111.6 | H547 M548 K696 | E545-H547 VanDerWaalsContact CB-CD2 3.44Å; E545-H547 WeakPolarHBondContact CB-CD2 3.32Å; E545-H547 PolarHBondContact O-N 3.24Å; E545-H547 VanDerWaalsContact O-N 3.13Å; E545-H547 IonicContact OE2-CD2 2.63Å; E545-H547 IonicContact OE2-NE2 2.73Å; E545-M548 PolarHBondContact O-N 2.93Å; E545-K696 WeakPolarHBondContact OE1-CE 3.46Å; E545-K696 IonicContact OE1-NZ 3.61Å; E545-K696 PolarHBondContact OE1-NZ 2.9Å | ||
| 546 | P | 92.8 | Very high | 86.3 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.045 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.1 | -31.4 | -176.9 | -30.6 | 36.5 | 0 | 0 | 0 | 115.6 | T486 Y487 F513 M548 L549 E550 | T486-P546 WeakPolarHBondContact O-CG 3.26Å; Y487-P546 HydrophobicContact CD2-CG 4.39Å; F513-P546 HydrophobicContact CE1-CB 4.07Å; F513-P546 HydrophobicContact CE1-CG 4.3Å; F513-P546 HydrophobicContact CZ-CB 3.79Å; F513-P546 HydrophobicContact CZ-CG 3.82Å; P546-M548 PolarHBondContact O-N 2.6Å; P546-L549 WeakPolarHBondContact O-CB 3.26Å; P546-L549 PolarHBondContact O-N 2.92Å; P546-L549 VanDerWaalsContact O-N 3.09Å; P546-E550 PolarHBondContact O-N 3.46Å |
| 547 | H | 90.1 | Very high | 87.4 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 26% | 0.255 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -28.1 | -176.2 | 78.3 | 91.6 | 0 | 0 | 0 | 112.7 | E545 E550 S551 E767 | E545-H547 VanDerWaalsContact CB-CD2 3.44Å; E545-H547 WeakPolarHBondContact CB-CD2 3.32Å; E545-H547 PolarHBondContact O-N 3.24Å; E545-H547 VanDerWaalsContact O-N 3.13Å; E545-H547 IonicContact OE2-CD2 2.63Å; E545-H547 IonicContact OE2-NE2 2.73Å; H547-E550 PolarHBondContact O-N 3.39Å; H547-S551 WeakPolarHBondContact O-CB 3.46Å; H547-S551 PolarHBondContact O-N 2.88Å; H547-E767 IonicContact CG-OE1 3.66Å; H547-E767 IonicContact ND1-OE1 3.89Å; H547-E767 PolarHBondContact ND1-OE1 3.48Å; H547-E767 VanDerWaalsContact ND1-OE1 3.16Å; H547-E767 IonicContact ND1-OE2 2.96Å |
| 548 | M | 91.2 | Very high | 88.5 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.2 | -38.2 | 175.9 | -67.4 | -164.4 | -66 | 0 | 0 | 112.5 | F531 M544 E545 P546 S551 C552 | F531-M548 HydrophobicContact CE2-CB 4.13Å; M544-M548 HydrophobicContact CB-CE 3.47Å; M544-M548 VanDerWaalsContact CB-CE 3.47Å; M544-M548 HydrophobicContact CG-CE 3.73Å; M544-M548 HydrophobicContact SD-CE 3.31Å; M544-M548 WeakPolarHBondContact SD-CE 3.41Å; E545-M548 PolarHBondContact O-N 2.93Å; P546-M548 PolarHBondContact O-N 2.6Å; M548-S551 WeakPolarHBondContact O-CB 3.48Å; M548-S551 PolarHBondContact O-N 2.68Å; M548-C552 PolarHBondContact O-N 2.58Å; M548-C552 PolarHBondContact O-SG 3.06Å; M548-C552 VanDerWaalsContact O-SG 3.35Å |
| 549 | L | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.8 | -46 | 172.3 | 171.2 | 60.6 | 0 | 0 | 0 | 110.1 | I274 L485 L518 F523 I528 F531 P546 S551 C552 V553 | I274-L549 HydrophobicContact CD1-CD2 4.04Å; I274-L549 HydrophobicContact CG1-CD2 4.29Å; L485-L549 HydrophobicContact CD1-CD2 4.2Å; L518-L549 HydrophobicContact CD1-CD2 4.32Å; F523-L549 HydrophobicContact CD2-CD1 4.49Å; F523-L549 HydrophobicContact CD2-CD2 4.26Å; F523-L549 HydrophobicContact CD2-CG 4.28Å; F523-L549 HydrophobicContact CE2-CD1 4.43Å; F523-L549 HydrophobicContact CE2-CD2 3.72Å; F523-L549 HydrophobicContact CE2-CG 3.76Å; I528-L549 HydrophobicContact CG1-CD1 4.42Å; F531-L549 HydrophobicContact CB-CD1 3.71Å; F531-L549 HydrophobicContact CD1-CB 4.3Å; F531-L549 HydrophobicContact CD1-CD1 3.77Å; F531-L549 HydrophobicContact CD1-CG 4.48Å; F531-L549 HydrophobicContact CD2-CB 4.12Å; F531-L549 HydrophobicContact CD2-CD1 4.41Å; F531-L549 HydrophobicContact CE1-CB 4.29Å; F531-L549 HydrophobicContact CE1-CD1 4.48Å; F531-L549 HydrophobicContact CE2-CB 4.16Å; F531-L549 HydrophobicContact CG-CB 4.2Å; F531-L549 HydrophobicContact CG-CD1 3.71Å; F531-L549 HydrophobicContact CZ-CB 4.24Å; P546-L549 WeakPolarHBondContact O-CB 3.26Å; P546-L549 PolarHBondContact O-N 2.92Å; P546-L549 VanDerWaalsContact O-N 3.09Å; L549-S551 PolarHBondContact O-N 3.03Å; L549-C552 WeakPolarHBondContact O-CB 3.46Å; L549-C552 PolarHBondContact O-N 3.01Å; L549-C552 VanDerWaalsContact O-N 3.07Å; L549-V553 WeakPolarHBondContact O-CG2 3.36Å; L549-V553 PolarHBondContact O-N 2.65Å |
| 550 | E | 95.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 47 Ų | 47 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -30.5 | 176.6 | -71.1 | 175.9 | 166.9 | 0 | 0 | 112.8 | R521 F523 P546 H547 V553 R554 V763 | R521-E550 IonicContact CZ-OE1 2.97Å; R521-E550 IonicContact NH1-OE1 2.74Å; R521-E550 IonicContact NH2-OE1 3.82Å; R521-E550 PolarHBondContact NH2-OE1 3.33Å; F523-E550 HydrophobicContact CZ-CG 4.16Å; P546-E550 PolarHBondContact O-N 3.46Å; H547-E550 PolarHBondContact O-N 3.39Å; E550-V553 WeakPolarHBondContact O-CB 3.41Å; E550-V553 PolarHBondContact O-N 3.07Å; E550-R554 WeakPolarHBondContact O-CG 3.45Å; E550-R554 PolarHBondContact O-N 3.49Å; E550-V763 HydrophobicContact CB-CG2 3.82Å; E550-V763 HydrophobicContact CG-CG2 4.21Å |
| 551 | S | 94.3 | Very high | 91.4 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 172.7 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | H547 M548 L549 V553 R554 D555 | H547-S551 WeakPolarHBondContact O-CB 3.46Å; H547-S551 PolarHBondContact O-N 2.88Å; M548-S551 WeakPolarHBondContact O-CB 3.48Å; M548-S551 PolarHBondContact O-N 2.68Å; L549-S551 PolarHBondContact O-N 3.03Å; S551-V553 PolarHBondContact O-N 3.11Å; S551-R554 VanDerWaalsContact CA-CZ 3.46Å; S551-R554 WeakPolarHBondContact O-CB 3.2Å; S551-R554 PolarHBondContact O-N 3.43Å; S551-R554 VanDerWaalsContact O-N 3.15Å; S551-R554 PolarHBondContact OG-NH1 2.96Å; S551-D555 VanDerWaalsContact O-CG 3.29Å; S551-D555 PolarHBondContact O-N 3.05Å |
| 552 | C | 94.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -34.3 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 112 | A527 F531 K534 M548 L549 V556 | A527-C552 HydrophobicContact CB-CB 4.42Å; F531-C552 HydrophobicContact CB-CB 4.34Å; K534-C552 PolarHBondContact NZ-SG 2.88Å; M548-C552 PolarHBondContact O-N 2.58Å; M548-C552 PolarHBondContact O-SG 3.06Å; M548-C552 VanDerWaalsContact O-SG 3.35Å; L549-C552 WeakPolarHBondContact O-CB 3.46Å; L549-C552 PolarHBondContact O-N 3.01Å; L549-C552 VanDerWaalsContact O-N 3.07Å; C552-V556 WeakPolarHBondContact O-CG2 3.26Å; C552-V556 PolarHBondContact O-N 3.19Å |
| 553 | V | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | F523 A527 L549 E550 S551 V556 L557 T762 V763 | F523-V553 HydrophobicContact CB-CG2 4.19Å; F523-V553 HydrophobicContact CD1-CG1 4.05Å; F523-V553 HydrophobicContact CD1-CG2 3.94Å; F523-V553 HydrophobicContact CD2-CG2 3.52Å; F523-V553 HydrophobicContact CE1-CG1 4.28Å; F523-V553 HydrophobicContact CE1-CG2 4.13Å; F523-V553 HydrophobicContact CE2-CG2 3.75Å; F523-V553 HydrophobicContact CG-CG1 4.42Å; F523-V553 HydrophobicContact CG-CG2 3.62Å; F523-V553 HydrophobicContact CZ-CG2 4.04Å; A527-V553 HydrophobicContact CB-CB 4.25Å; A527-V553 HydrophobicContact CB-CG2 3.74Å; L549-V553 WeakPolarHBondContact O-CG2 3.36Å; L549-V553 PolarHBondContact O-N 2.65Å; E550-V553 WeakPolarHBondContact O-CB 3.41Å; E550-V553 PolarHBondContact O-N 3.07Å; S551-V553 PolarHBondContact O-N 3.11Å; V553-V556 PolarHBondContact O-N 2.93Å; V553-L557 HydrophobicContact CG1-CD1 3.54Å; V553-L557 HydrophobicContact CG1-CG 4.12Å; V553-L557 WeakPolarHBondContact O-CB 3.23Å; V553-L557 VanDerWaalsContact O-CG 3.27Å; V553-L557 WeakPolarHBondContact O-CG 3.46Å; V553-L557 PolarHBondContact O-N 3.31Å; V553-T762 HydrophobicContact CG1-CG2 3.95Å; V553-V763 HydrophobicContact CG1-CG1 3.98Å |
| 554 | R | 96.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.7 | -78.9 | 178.9 | -98.3 | 118.5 | -6.2 | 111.9 | E550 S551 V556 L557 N558 Y745 V763 T764 E767 | E550-R554 WeakPolarHBondContact O-CG 3.45Å; E550-R554 PolarHBondContact O-N 3.49Å; S551-R554 VanDerWaalsContact CA-CZ 3.46Å; S551-R554 WeakPolarHBondContact O-CB 3.2Å; S551-R554 PolarHBondContact O-N 3.43Å; S551-R554 VanDerWaalsContact O-N 3.15Å; S551-R554 PolarHBondContact OG-NH1 2.96Å; R554-V556 PolarHBondContact O-N 2.98Å; R554-L557 PolarHBondContact O-N 2.87Å; R554-N558 VanDerWaalsContact O-CB 3.29Å; R554-N558 WeakPolarHBondContact O-CB 3.37Å; R554-N558 PolarHBondContact O-N 3.47Å; R554-Y745 HydrophobicContact CG-CE2 4.29Å; R554-V763 HydrophobicContact CG-CG1 3.73Å; R554-V763 HydrophobicContact CG-CG2 3.97Å; R554-T764 WeakPolarHBondContact CD-O 3.48Å; R554-E767 IonicContact CZ-OE1 3.72Å; R554-E767 IonicContact NH1-OE1 2.75Å; R554-E767 IonicContact NH2-OE1 3.8Å; R554-E767 PolarHBondContact NH2-OE1 3.46Å |
| 555 | D | 93.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 34 Ų | 34 | 43% | 0.433 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57 | -50.7 | 179.4 | -64.6 | -18.7 | 0 | 0 | 0 | 110.6 | K534 S551 | K534-D555 IonicContact NZ-OD2 2.82Å; K534-D555 PolarHBondContact NZ-OD2 3.31Å; S551-D555 VanDerWaalsContact O-CG 3.29Å; S551-D555 PolarHBondContact O-N 3.05Å |
| 556 | V | 95.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | -179.1 | 175.4 | 0 | 0 | 0 | 0 | 112 | P524 E526 A527 C552 V553 R554 N558 D559 H560 | P524-V556 HydrophobicContact CB-CG1 3.94Å; P524-V556 HydrophobicContact CG-CB 3.91Å; P524-V556 HydrophobicContact CG-CG1 3.52Å; E526-V556 HydrophobicContact CB-CG1 4.19Å; E526-V556 HydrophobicContact CB-CG2 4.3Å; E526-V556 WeakPolarHBondContact OE2-CG1 3.49Å; A527-V556 HydrophobicContact CB-CB 4.3Å; A527-V556 HydrophobicContact CB-CG2 3.96Å; C552-V556 WeakPolarHBondContact O-CG2 3.26Å; C552-V556 PolarHBondContact O-N 3.19Å; V553-V556 PolarHBondContact O-N 2.93Å; R554-V556 PolarHBondContact O-N 2.98Å; V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 3.26Å; V556-D559 PolarHBondContact O-N 3.18Å; V556-H560 PolarHBondContact O-N 3.33Å; V556-H560 VanDerWaalsContact O-N 3.15Å; V556-H560 PolarHBondContact O-ND1 2.74Å |
| 557 | L | 96.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.1 | -28.1 | -176.7 | -67.8 | 179 | 0 | 0 | 0 | 112.6 | P524 V553 R554 D559 H560 A561 K737 Y745 T762 | P524-L557 HydrophobicContact CG-CD2 4Å; P524-L557 HydrophobicContact CG-CG 4.22Å; V553-L557 HydrophobicContact CG1-CD1 3.54Å; V553-L557 HydrophobicContact CG1-CG 4.12Å; V553-L557 WeakPolarHBondContact O-CB 3.23Å; V553-L557 VanDerWaalsContact O-CG 3.27Å; V553-L557 WeakPolarHBondContact O-CG 3.46Å; V553-L557 PolarHBondContact O-N 3.31Å; R554-L557 PolarHBondContact O-N 2.87Å; L557-D559 PolarHBondContact O-N 2.8Å; L557-H560 PolarHBondContact O-N 2.98Å; L557-A561 HydrophobicContact CB-CB 4.22Å; L557-A561 HydrophobicContact CD2-CB 4.31Å; L557-A561 WeakPolarHBondContact O-CA 3.33Å; L557-A561 WeakPolarHBondContact O-CB 3.28Å; L557-A561 PolarHBondContact O-N 2.96Å; L557-K737 HydrophobicContact CD2-CB 3.94Å; L557-K737 HydrophobicContact CD2-CG 4Å; L557-Y745 HydrophobicContact CB-CD1 3.56Å; L557-Y745 HydrophobicContact CB-CE1 3.66Å; L557-Y745 HydrophobicContact CB-CG 4.06Å; L557-Y745 HydrophobicContact CD1-CD1 4.1Å; L557-Y745 HydrophobicContact CD1-CG 3.9Å; L557-Y745 HydrophobicContact CG-CD1 4.44Å; L557-T762 HydrophobicContact CD1-CG2 4Å |
| 558 | N | 94.1 | Very high | 95.1 | Very high | 69 Ų | 69 | 29.3 Ų | 29.3 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.6 | -35.6 | 174.4 | -176.8 | 71.2 | 0 | 0 | 0 | 111.8 | R554 V556 R563 Y745 | R554-N558 VanDerWaalsContact O-CB 3.29Å; R554-N558 WeakPolarHBondContact O-CB 3.37Å; R554-N558 PolarHBondContact O-N 3.47Å; V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 3.26Å; N558-R563 VanDerWaalsContact O-CZ 3.3Å; N558-R563 PolarHBondContact O-NH1 2.94Å; N558-R563 VanDerWaalsContact O-NH1 3.15Å; N558-R563 PolarHBondContact O-NH2 2.89Å; N558-R563 PolarHBondContact OD1-NH2 2.59Å; N558-Y745 VanDerWaalsContact CA-OH 3.31Å; N558-Y745 WeakPolarHBondContact CA-OH 3.46Å; N558-Y745 WeakPolarHBondContact CB-OH 3.43Å |
| 559 | D | 91 | Very high | 95.3 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 50% | 0.503 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -91.6 | -24.3 | -175.4 | -62.1 | -11.7 | 0 | 0 | 0 | 112.3 | V556 L557 F591 | V556-D559 PolarHBondContact O-N 3.18Å; L557-D559 PolarHBondContact O-N 2.8Å; D559-F591 WeakPolarHBondContact O-CD1 3.37Å; D559-F591 VanDerWaalsContact O-CE1 3.22Å; D559-F591 WeakPolarHBondContact O-CE1 3.42Å |
| 560 | H | 91.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 32.4 Ų | 32.4 | 51% | 0.514 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -115.6 | -21.2 | -171.1 | -61.1 | 83.5 | 0 | 0 | 0 | 115.3 | V556 L557 P562 F591 | V556-H560 PolarHBondContact O-N 3.33Å; V556-H560 VanDerWaalsContact O-N 3.15Å; V556-H560 PolarHBondContact O-ND1 2.74Å; L557-H560 PolarHBondContact O-N 2.98Å; H560-P562 WeakPolarHBondContact O-CD 3.39Å; H560-F591 WeakPolarHBondContact O-CZ 3.28Å |
| 561 | A | 95.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -85.2 | 120.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L557 R563 K737 Y745 | L557-A561 HydrophobicContact CB-CB 4.22Å; L557-A561 HydrophobicContact CD2-CB 4.31Å; L557-A561 WeakPolarHBondContact O-CA 3.33Å; L557-A561 WeakPolarHBondContact O-CB 3.28Å; L557-A561 PolarHBondContact O-N 2.96Å; A561-R563 PolarHBondContact O-NH1 2.97Å; A561-K737 HydrophobicContact CB-CB 4.35Å; A561-Y745 HydrophobicContact CB-CD1 4.18Å; A561-Y745 HydrophobicContact CB-CE1 4.35Å |
| 562 | P | 96 | Very high | 95.7 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 22% | 0.221 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 149.9 | 171.9 | 26 | -35.8 | 0 | 0 | 0 | 111.3 | H560 D590 F591 K737 F738 Q739 | H560-P562 WeakPolarHBondContact O-CD 3.39Å; P562-D590 CarbonylContact C-O 3.51Å; P562-D590 WeakPolarHBondContact CA-O 3.39Å; P562-D590 HydrophobicContact CB-CB 4.04Å; P562-F591 HydrophobicContact CB-CE2 4.33Å; P562-F591 HydrophobicContact CB-CZ 4.27Å; P562-K737 WeakPolarHBondContact CD-O 3.07Å; P562-F738 HydrophobicContact CG-CD1 3.75Å; P562-F738 HydrophobicContact CG-CE1 3.77Å; P562-F738 WeakPolarHBondContact O-CA 2.98Å; P562-Q739 PolarHBondContact O-N 2.66Å |
| 563 | R | 95.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 139.7 | 178.9 | -78.7 | 63.5 | 178.8 | -173.9 | 1.6 | 109 | N558 A561 D590 P592 H600 Q739 E741 | N558-R563 VanDerWaalsContact O-CZ 3.3Å; N558-R563 PolarHBondContact O-NH1 2.94Å; N558-R563 VanDerWaalsContact O-NH1 3.15Å; N558-R563 PolarHBondContact O-NH2 2.89Å; N558-R563 PolarHBondContact OD1-NH2 2.59Å; A561-R563 PolarHBondContact O-NH1 2.97Å; R563-D590 WeakPolarHBondContact CD-O 3.35Å; R563-D590 PolarHBondContact N-O 3.1Å; R563-P592 VanDerWaalsContact CD-CD 3.49Å; R563-P592 HydrophobicContact CG-CG 4.22Å; R563-H600 PolarHBondContact O-CE1 3.35Å; R563-Q739 WeakPolarHBondContact CA-O 3.19Å; R563-Q739 HydrophobicContact CG-CB 4.13Å; R563-E741 HydrophobicContact CB-CG 4.2Å; R563-E741 HydrophobicContact CG-CG 4.34Å |
| 564 | A | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.2 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | D726 V729 F738 Q739 F740 E741 | A564-D726 WeakPolarHBondContact CA-OD2 3.41Å; A564-D726 WeakPolarHBondContact CB-OD2 3.33Å; A564-V729 HydrophobicContact CB-CG2 3.84Å; A564-F738 HydrophobicContact CB-CD1 4.37Å; A564-Q739 PolarHBondContact N-O 3.13Å; A564-F740 HydrophobicContact CB-CD1 4.23Å; A564-F740 HydrophobicContact CB-CE1 4.33Å; A564-F740 WeakPolarHBondContact O-CA 3.19Å; A564-E741 PolarHBondContact O-N 3.21Å |
| 565 | M | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -92.9 | 127.3 | 172.9 | -65.1 | -172 | -67.1 | 0 | 0 | 109.4 | V588 V602 H676 W677 V678 D726 | M565-V588 HydrophobicContact CE-CG2 4.28Å; M565-V602 HydrophobicContact CE-CB 4.4Å; M565-V602 HydrophobicContact CE-CG1 4.13Å; M565-V602 HydrophobicContact CE-CG2 4.26Å; M565-H676 HydrophobicContact CB-CB 4.4Å; M565-H676 HydrophobicContact CG-CB 4.11Å; M565-H676 HydrophobicContact SD-CB 4.2Å; M565-W677 WeakPolarHBondContact CB-O 3.33Å; M565-W677 HydrophobicContact CE-CD2 4.39Å; M565-W677 HydrophobicContact CE-CZ2 4.08Å; M565-W677 VanDerWaalsContact CE-O 3.3Å; M565-W677 WeakPolarHBondContact CE-O 3.45Å; M565-V678 HydrophobicContact CB-CG1 3.98Å; M565-V678 VanDerWaalsContact O-CG1 3.28Å; M565-V678 WeakPolarHBondContact O-CG1 3.29Å; M565-D726 PolarHBondContact N-OD2 2.91Å; M565-D726 PolarHBondContact O-N 3.25Å | ||
| 566 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | H676 L724 V725 F740 | A566-H676 PolarHBondContact O-CD2 3.46Å; A566-H676 PolarHBondContact O-NE2 3.19Å; A566-L724 CarbonylContact C-O 3.59Å; A566-L724 VanDerWaalsContact CA-O 3.31Å; A566-L724 WeakPolarHBondContact CA-O 3.44Å; A566-V725 HydrophobicContact CB-CB 4.22Å; A566-V725 HydrophobicContact CB-CG2 4Å; A566-F740 HydrophobicContact CB-CB 4.1Å; A566-F740 HydrophobicContact CB-CD1 3.91Å; A566-F740 HydrophobicContact CB-CD2 3.43Å; A566-F740 VanDerWaalsContact CB-CD2 3.43Å; A566-F740 HydrophobicContact CB-CE1 4.15Å; A566-F740 HydrophobicContact CB-CE2 3.71Å; A566-F740 HydrophobicContact CB-CG 3.55Å; A566-F740 HydrophobicContact CB-CZ 4.07Å |
| 567 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.2 | 179.4 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | P570 I610 E611 V678 A723 L724 | V567-P570 HydrophobicContact CG1-CB 3.96Å; V567-I610 VanDerWaalsContact CG1-C 3.42Å; V567-I610 VanDerWaalsContact CG1-O 3.28Å; V567-I610 WeakPolarHBondContact CG1-O 3.43Å; V567-E611 WeakPolarHBondContact CA-OE1 3.46Å; V567-E611 HydrophobicContact CG1-CG 4.27Å; V567-V678 HydrophobicContact CB-CG2 4.29Å; V567-V678 HydrophobicContact CG2-CG1 4.28Å; V567-V678 HydrophobicContact CG2-CG2 3.9Å; V567-A723 WeakPolarHBondContact O-CA 3.48Å; V567-L724 PolarHBondContact N-O 3.05Å; V567-L724 PolarHBondContact O-N 2.98Å |
| 568 | L | 96.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -78.4 | -47.7 | -176.1 | -85.7 | 56.7 | 0 | 0 | 0 | 111 | P570 E611 I686 L688 I720 V743 | L568-P570 VanDerWaalsContact O-CD 3.31Å; L568-P570 WeakPolarHBondContact O-CD 3.49Å; L568-E611 PolarHBondContact N-OE1 2.75Å; L568-E611 PolarHBondContact N-OE2 2.9Å; L568-I686 HydrophobicContact CD1-CD1 3.44Å; L568-I686 VanDerWaalsContact CD1-CD1 3.44Å; L568-I686 HydrophobicContact CD2-CG2 4.48Å; L568-I686 HydrophobicContact CG-CD1 3.75Å; L568-I686 HydrophobicContact CG-CG2 4.4Å; L568-L688 HydrophobicContact CD2-CD1 4.27Å; L568-L688 HydrophobicContact CD2-CD2 4.1Å; L568-I720 HydrophobicContact CB-CD1 4.08Å; L568-I720 HydrophobicContact CD2-CD1 4.1Å; L568-I720 HydrophobicContact CG-CD1 4.2Å; L568-I720 VanDerWaalsContact O-CG2 3.25Å; L568-I720 WeakPolarHBondContact O-CG2 3.49Å; L568-V743 HydrophobicContact CD1-CG1 4.01Å; L568-V743 HydrophobicContact CD1-CG2 4.34Å; L568-V743 HydrophobicContact CD2-CG1 3.87Å |
| 569 | E | 95.5 | Very high | 95.1 | Very high | 95 Ų | 95 | 33.9 Ų | 33.9 | 44% | 0.444 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -113.1 | 88.3 | 178.2 | -66.5 | -177.6 | 173.9 | 0 | 0 | 108.9 | L571 E611 Q612 | E569-L571 PolarHBondContact O-N 3.41Å; E569-E611 PolarHBondContact N-OE2 3.25Å; E569-E611 CarbonylContact O-C 3.51Å; E569-Q612 HydrophobicContact CB-CB 3.93Å; E569-Q612 WeakPolarHBondContact O-CB 3.1Å; E569-Q612 PolarHBondContact O-N 2.98Å |
| 570 | P | 97 | Very high | 94.7 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 26% | 0.26 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 123.3 | -168.6 | 29.9 | -37.2 | 0 | 0 | 0 | 113.6 | V567 L568 F609 S722 L724 | V567-P570 HydrophobicContact CG1-CB 3.96Å; L568-P570 VanDerWaalsContact O-CD 3.31Å; L568-P570 WeakPolarHBondContact O-CD 3.49Å; P570-F609 HydrophobicContact CB-CB 4.3Å; P570-F609 HydrophobicContact CB-CD1 4.08Å; P570-S722 WeakPolarHBondContact CG-O 3.48Å; P570-L724 HydrophobicContact CB-CD1 3.5Å; P570-L724 VanDerWaalsContact CB-CD1 3.5Å; P570-L724 HydrophobicContact CB-CG 4.04Å; P570-L724 HydrophobicContact CG-CD1 3.97Å; P570-L724 HydrophobicContact CG-CG 4.14Å |
| 571 | L | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.8 | 164.9 | 179 | 55.7 | 0 | 0 | 0 | 109.4 | E569 F609 I610 F615 V654 L657 | E569-L571 PolarHBondContact O-N 3.41Å; L571-F609 WeakPolarHBondContact O-CA 3.37Å; L571-I610 HydrophobicContact CB-CG1 4.2Å; L571-I610 PolarHBondContact N-O 3.32Å; L571-I610 PolarHBondContact O-N 3.43Å; L571-I610 VanDerWaalsContact O-N 3.08Å; L571-F615 HydrophobicContact CD2-CB 3.7Å; L571-F615 HydrophobicContact CD2-CD1 4.27Å; L571-F615 HydrophobicContact CD2-CG 4.23Å; L571-V654 HydrophobicContact CD1-CG1 4.03Å; L571-V654 HydrophobicContact CD2-CG1 4.46Å; L571-L657 HydrophobicContact CD2-CD1 3.66Å; L571-L657 HydrophobicContact CD2-CG 3.93Å; L571-L657 HydrophobicContact CG-CD1 4.39Å; L571-L657 HydrophobicContact CG-CG 4.32Å |
| 572 | K | 97.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.2 | 178 | -174.5 | -176.2 | 169.6 | -149.6 | 0 | 110.6 | T607 F609 E656 L657 | K572-T607 HydrophobicContact CG-CG2 4.08Å; K572-F609 HydrophobicContact CB-CD1 4.13Å; K572-F609 HydrophobicContact CB-CE1 3.87Å; K572-F609 HydrophobicContact CG-CE1 3.99Å; K572-F609 HydrophobicContact CG-CZ 4.46Å; K572-E656 HydrophobicContact CB-CB 4.45Å; K572-E656 HydrophobicContact CB-CG 4.4Å; K572-E656 HydrophobicContact CD-CG 4.23Å; K572-E656 WeakPolarHBondContact CE-OE1 3.45Å; K572-E656 HydrophobicContact CG-CG 4.26Å; K572-E656 VanDerWaalsContact NZ-CD 3.27Å; K572-E656 IonicContact NZ-OE1 3.73Å; K572-E656 PolarHBondContact NZ-OE1 2.87Å; K572-E656 VanDerWaalsContact NZ-OE1 3.12Å; K572-E656 IonicContact NZ-OE2 3Å; K572-E656 PolarHBondContact NZ-OE2 3.47Å; K572-E656 CarbonylContact O-C 3.51Å; K572-E656 VanDerWaalsContact O-CA 3.29Å; K572-E656 WeakPolarHBondContact O-CA 3.27Å; K572-L657 PolarHBondContact O-N 2.81Å |
| 573 | V | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.8 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | T607 I608 I610 I641 L657 V659 | V573-T607 WeakPolarHBondContact O-CA 3.48Å; V573-I608 HydrophobicContact CB-CG1 3.76Å; V573-I608 HydrophobicContact CG1-CD1 4.41Å; V573-I608 HydrophobicContact CG1-CG1 4.07Å; V573-I608 PolarHBondContact N-O 3.22Å; V573-I608 PolarHBondContact O-N 3.23Å; V573-I610 HydrophobicContact CG2-CD1 3.81Å; V573-I610 HydrophobicContact CG2-CG1 3.76Å; V573-I610 HydrophobicContact CG2-CG2 4.38Å; V573-I641 HydrophobicContact CG1-CD1 4.47Å; V573-L657 CarbonylContact C-O 3.59Å; V573-L657 WeakPolarHBondContact CA-O 3.44Å; V573-L657 HydrophobicContact CG2-CB 4.31Å; V573-L657 HydrophobicContact CG2-CD1 4.39Å; V573-V659 HydrophobicContact CG1-CB 4.21Å; V573-V659 HydrophobicContact CG1-CG1 3.71Å; V573-V659 HydrophobicContact CG1-CG2 3.4Å |
| 574 | T | 97.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.1 | 178 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | T576 R606 E656 L657 E658 V659 | T574-T576 PolarHBondContact O-N 2.89Å; T574-R606 HydrophobicContact CG2-CG 4.48Å; T574-E656 WeakPolarHBondContact CB-OE1 2.92Å; T574-E656 PolarHBondContact OG1-OE1 2.92Å; T574-L657 PolarHBondContact N-O 2.71Å; T574-E658 WeakPolarHBondContact O-CA 3.43Å; T574-V659 PolarHBondContact O-N 3.29Å |
| 575 | I | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110.1 | 179.5 | -57.9 | 173 | 0 | 0 | 0 | 109 | N577 L578 F604 R606 I608 V659 C661 | I575-N577 WeakPolarHBondContact CG2-OD1 3.31Å; I575-N577 PolarHBondContact O-N 2.92Å; I575-L578 HydrophobicContact CB-CB 4.21Å; I575-L578 HydrophobicContact CG2-CB 3.79Å; I575-F604 HydrophobicContact CD1-CE1 3.99Å; I575-F604 HydrophobicContact CD1-CE2 4.14Å; I575-F604 HydrophobicContact CD1-CZ 3.41Å; I575-F604 VanDerWaalsContact CD1-CZ 3.41Å; I575-R606 PolarHBondContact N-O 2.65Å; I575-R606 WeakPolarHBondContact O-CG 3.38Å; I575-R606 PolarHBondContact O-NH1 2.83Å; I575-I608 HydrophobicContact CD1-CD1 4.49Å; I575-V659 WeakPolarHBondContact CA-O 3.26Å; I575-V659 HydrophobicContact CB-CG2 4.45Å; I575-V659 HydrophobicContact CG1-CG2 3.88Å; I575-C661 HydrophobicContact CD1-CB 4.33Å; I575-C661 HydrophobicContact CG1-CB 4.43Å; I575-C661 HydrophobicContact CG2-CB 3.34Å |
| 576 | T | 95.4 | Very high | 92.8 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 27% | 0.27 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -33.8 | -169.6 | 57.2 | 0 | 0 | 0 | 0 | 113 | T574 R606 Q644 E658 V659 | T574-T576 PolarHBondContact O-N 2.89Å; T576-R606 PolarHBondContact O-NH1 3.11Å; T576-Q644 PolarHBondContact OG1-OE1 2.6Å; T576-E658 HydrophobicContact CG2-CB 3.85Å; T576-E658 HydrophobicContact CG2-CG 4.41Å; T576-V659 PolarHBondContact N-O 3.08Å; T576-V659 PolarHBondContact OG1-O 3.07Å |
| 577 | N | 92.8 | Very high | 92.7 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 5.1 | -175.8 | 69.9 | -56.8 | 0 | 0 | 0 | 114.8 | I575 H660 C661 | I575-N577 WeakPolarHBondContact CG2-OD1 3.31Å; I575-N577 PolarHBondContact O-N 2.92Å; N577-H660 VanDerWaalsContact CG-CE1 3.46Å; N577-H660 VanDerWaalsContact CG-ND1 3.32Å; N577-H660 PolarHBondContact ND2-CE1 2.86Å; N577-H660 PolarHBondContact OD1-ND1 2.93Å; N577-C661 PolarHBondContact ND2-O 3.07Å; N577-C661 PolarHBondContact OD1-N 2.73Å |
| 578 | L | 89.7 | Confident | 92.6 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -96.8 | 122.3 | 169.9 | -161.8 | 85.7 | 0 | 0 | 0 | 109.3 | I575 F604 R606 | I575-L578 HydrophobicContact CB-CB 4.21Å; I575-L578 HydrophobicContact CG2-CB 3.79Å; L578-F604 HydrophobicContact CD2-CE1 4.46Å; L578-R606 HydrophobicContact CD2-CB 4.24Å; L578-R606 PolarHBondContact O-NH1 3.26Å |
| 579 | P | 85.3 | Confident | 92.4 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -56 | 146.6 | 176.9 | -24.1 | 31.2 | 0 | 0 | 0 | 113 | I582 | P579-I582 HydrophobicContact CB-CD1 3.8Å; P579-I582 HydrophobicContact CB-CG1 4.11Å; P579-I582 HydrophobicContact CG-CD1 3.71Å |
| 580 | E | 81.4 | Confident | 92.3 | Very high | 179 Ų | 179 | 57.1 Ų | 57.1 | 84% | 0.836 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 137.3 | 176.7 | -162.5 | 169.1 | -162.4 | 0 | 0 | 110.6 | ||
| 581 | G | 78.8 | Confident | 92.1 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 81% | 0.814 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -3.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 582 | I | 86.5 | Confident | 91.6 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 35% | 0.354 | 32% | 0.316 | S | S | . | . | trans | -77.8 | 129.9 | 171.5 | -63.9 | -170.7 | 0 | 0 | 0 | 110.3 | P579 | P579-I582 HydrophobicContact CB-CD1 3.8Å; P579-I582 HydrophobicContact CB-CG1 4.11Å; P579-I582 HydrophobicContact CG-CD1 3.71Å | ||
| 583 | R | 90.4 | Very high | 91.1 | Very high | 126 Ų | 126 | 61.3 Ų | 61.3 | 48% | 0.475 | 34% | 0.343 | S | S | . | . | trans | -126.5 | 117.6 | 174.2 | 176.2 | -177.5 | 174.5 | 135.2 | 4 | 108.9 | D585 P603 T605 E680 | R583-D585 IonicContact NE-OD1 3.43Å; R583-P603 HydrophobicContact CG-CB 4.16Å; R583-T605 HydrophobicContact CB-CG2 4.32Å; R583-T605 HydrophobicContact CG-CG2 4.34Å; R583-E680 IonicContact CZ-OE2 3.59Å; R583-E680 IonicContact NH1-OE1 3.49Å; R583-E680 PolarHBondContact NH1-OE1 3.41Å; R583-E680 IonicContact NH1-OE2 3.61Å; R583-E680 PolarHBondContact NH1-OE2 2.77Å; R583-E680 IonicContact NH2-OE2 2.74Å | ||
| 584 | N | 90.9 | Very high | 90.4 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 31% | 0.305 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138 | 173.5 | -66.8 | -26 | 0 | 0 | 0 | 109.4 | P603 F604 | N584-P603 CarbonylContact O-C 3.59Å; N584-F604 HydrophobicContact CB-CB 4.36Å; N584-F604 PolarHBondContact N-O 2.93Å; N584-F604 PolarHBondContact O-N 3.31Å |
| 585 | D | 93.4 | Very high | 89.9 | Confident | 109 Ų | 109 | 70 Ų | 70 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.6 | 178.4 | -78.7 | -10.3 | 0 | 0 | 0 | 109.8 | R583 V601 | R583-D585 IonicContact NE-OD1 3.43Å; D585-V601 HydrophobicContact CB-CG1 3.51Å |
| 586 | V | 94.4 | Very high | 89.3 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.9 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | V588 V601 V602 F604 H636 A637 W677 | V586-V588 HydrophobicContact CG1-CG2 4.37Å; V586-V601 WeakPolarHBondContact O-CA 3.46Å; V586-V602 PolarHBondContact N-O 3.23Å; V586-V602 PolarHBondContact O-N 3.39Å; V586-F604 HydrophobicContact CG2-CB 3.78Å; V586-H636 HydrophobicContact CG1-CB 3.8Å; V586-H636 WeakPolarHBondContact CG1-O 3.23Å; V586-A637 HydrophobicContact CG2-CB 4.23Å; V586-W677 HydrophobicContact CB-CH2 4.45Å; V586-W677 HydrophobicContact CB-CZ2 4.34Å; V586-W677 HydrophobicContact CG1-CZ2 4.37Å; V586-W677 HydrophobicContact CG2-CH2 4.14Å; V586-W677 HydrophobicContact CG2-CZ2 4.12Å |
| 587 | R | 94.3 | Very high | 88.7 | Confident | 173 Ų | 173 | 82.3 Ų | 82.3 | 65% | 0.653 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.9 | 174.7 | -173.2 | 178.1 | -177.5 | -167 | -4.6 | 109.9 | S599 | R587-S599 PolarHBondContact NE-OG 3.25Å; R587-S599 PolarHBondContact NH2-OG 3.17Å; R587-S599 VanDerWaalsContact NH2-OG 3.09Å |
| 588 | V | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.8 | 179 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | M565 V586 S599 H600 V602 H636 | M565-V588 HydrophobicContact CE-CG2 4.28Å; V586-V588 HydrophobicContact CG1-CG2 4.37Å; V588-S599 CarbonylContact O-C 3.49Å; V588-S599 WeakPolarHBondContact O-CA 3.47Å; V588-S599 VanDerWaalsContact O-CB 3.26Å; V588-S599 WeakPolarHBondContact O-CB 3.28Å; V588-H600 WeakPolarHBondContact CB-NE2 3.5Å; V588-H600 VanDerWaalsContact CG1-CE1 3.41Å; V588-H600 WeakPolarHBondContact CG1-CE1 3.33Å; V588-H600 PolarHBondContact N-O 3.23Å; V588-H600 PolarHBondContact O-N 3.14Å; V588-V602 HydrophobicContact CG2-CB 4.38Å; V588-V602 HydrophobicContact CG2-CG2 3.84Å; V588-H636 HydrophobicContact CG2-CB 4.02Å |
| 589 | P | 94 | Very high | 88.8 | Confident | 21 Ų | 21 | 81 Ų | 81 | 14% | 0.136 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.7 | 176.1 | 28.1 | -32.4 | 0 | 0 | 0 | 110.8 | F591 E595 | P589-F591 VanDerWaalsContact C-N 3.25Å; P589-F591 PolarHBondContact O-N 3.36Å; P589-E595 HydrophobicContact CB-CG 4.08Å |
| 590 | D | 93 | Very high | 89.2 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 17% | 0.166 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -69.7 | -28 | 179.2 | -65.7 | -25.3 | 0 | 0 | 0 | 111.5 | P562 R563 G598 S599 H600 | P562-D590 CarbonylContact C-O 3.51Å; P562-D590 WeakPolarHBondContact CA-O 3.39Å; P562-D590 HydrophobicContact CB-CB 4.04Å; R563-D590 WeakPolarHBondContact CD-O 3.35Å; R563-D590 PolarHBondContact N-O 3.1Å; D590-G598 PolarHBondContact N-O 3.42Å; D590-G598 WeakPolarHBondContact OD2-CA 3.39Å; D590-S599 PolarHBondContact OD2-N 3.04Å; D590-S599 VanDerWaalsContact OD2-N 3.11Å; D590-H600 IonicContact OD1-CE1 3.57Å; D590-H600 IonicContact OD1-CG 3.96Å; D590-H600 PolarHBondContact OD1-N 2.89Å; D590-H600 IonicContact OD1-ND1 3.25Å; D590-H600 PolarHBondContact OD1-ND1 3.24Å |
| 591 | F | 93 | Very high | 89.8 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 10% | 0.101 | 40% | 0.403 | C | S | . | . | trans | -135.5 | 99.9 | -178.7 | -62.6 | -91.4 | 0 | 0 | 0 | 109.7 | D559 H560 P562 P589 A593 N594 E595 M597 | D559-F591 WeakPolarHBondContact O-CD1 3.37Å; D559-F591 VanDerWaalsContact O-CE1 3.22Å; D559-F591 WeakPolarHBondContact O-CE1 3.42Å; H560-F591 WeakPolarHBondContact O-CZ 3.28Å; P562-F591 HydrophobicContact CB-CE2 4.33Å; P562-F591 HydrophobicContact CB-CZ 4.27Å; P589-F591 VanDerWaalsContact C-N 3.25Å; P589-F591 PolarHBondContact O-N 3.36Å; F591-A593 PolarHBondContact O-N 2.86Å; F591-A593 VanDerWaalsContact O-N 3.16Å; F591-N594 CarbonylContact O-C 3.49Å; F591-N594 PolarHBondContact O-N 3.43Å; F591-E595 PolarHBondContact O-N 3.43Å; F591-M597 HydrophobicContact CB-CB 4.26Å; F591-M597 HydrophobicContact CB-SD 4.43Å; F591-M597 HydrophobicContact CD1-CE 4.28Å; F591-M597 HydrophobicContact CD1-SD 4.44Å; F591-M597 HydrophobicContact CD2-CB 3.52Å; F591-M597 HydrophobicContact CD2-CE 4.25Å; F591-M597 HydrophobicContact CD2-SD 4.43Å; F591-M597 HydrophobicContact CE1-CE 4.27Å; F591-M597 HydrophobicContact CE2-CB 4.17Å; F591-M597 HydrophobicContact CE2-CE 4.21Å; F591-M597 HydrophobicContact CG-CB 4.05Å; F591-M597 HydrophobicContact CG-CE 4.31Å; F591-M597 HydrophobicContact CG-SD 4.18Å; F591-M597 HydrophobicContact CZ-CE 4.24Å | ||
| 592 | P | 86.7 | Confident | 90.6 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.9 | -176.3 | -28.1 | 34.4 | 0 | 0 | 0 | 114.9 | R563 N594 | R563-P592 VanDerWaalsContact CD-CD 3.49Å; R563-P592 HydrophobicContact CG-CG 4.22Å; P592-N594 VanDerWaalsContact C-N 3.32Å |
| 593 | A | 86.1 | Confident | 91 | Very high | 104 Ų | 104 | 66.5 Ų | 66.5 | 86% | 0.86 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F591 | F591-A593 PolarHBondContact O-N 2.86Å; F591-A593 VanDerWaalsContact O-N 3.16Å |
| 594 | N | 85.1 | Confident | 91.2 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | trans | -151.3 | 85 | -176.8 | -171.4 | -2.2 | 0 | 0 | 0 | 111.4 | F591 P592 F596 M597 | F591-N594 CarbonylContact O-C 3.49Å; F591-N594 PolarHBondContact O-N 3.43Å; P592-N594 VanDerWaalsContact C-N 3.32Å; N594-F596 PolarHBondContact O-N 3.37Å; N594-F596 WeakPolarHBondContact OD1-CB 3.31Å; N594-F596 WeakPolarHBondContact OD1-CD2 3.44Å; N594-F596 PolarHBondContact OD1-N 2.98Å; N594-M597 HydrophobicContact CB-CG 4.15Å; N594-M597 HydrophobicContact CB-SD 4.01Å; N594-M597 WeakPolarHBondContact ND2-CG 3.41Å; N594-M597 PolarHBondContact O-N 3.21Å; N594-M597 VanDerWaalsContact O-N 3.11Å | ||
| 595 | E | 85.3 | Confident | 91.4 | Very high | 132 Ų | 132 | 58.7 Ų | 58.7 | 62% | 0.617 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -62.8 | -15.4 | -177.9 | -62 | -174.2 | 179.4 | 0 | 0 | 113.9 | P589 F591 M597 | P589-E595 HydrophobicContact CB-CG 4.08Å; F591-E595 PolarHBondContact O-N 3.43Å; E595-M597 PolarHBondContact O-N 3.31Å |
| 596 | F | 84.1 | Confident | 91.5 | Very high | 202 Ų | 202 | 57 Ų | 57 | 89% | 0.886 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -71.4 | -17.1 | 176.3 | -61.1 | -75.6 | 0 | 0 | 0 | 113.2 | N594 G598 | N594-F596 PolarHBondContact O-N 3.37Å; N594-F596 WeakPolarHBondContact OD1-CB 3.31Å; N594-F596 WeakPolarHBondContact OD1-CD2 3.44Å; N594-F596 PolarHBondContact OD1-N 2.98Å; F596-G598 VanDerWaalsContact C-N 3.31Å; F596-G598 PolarHBondContact O-N 2.91Å |
| 597 | M | 83.7 | Confident | 91.6 | Very high | 102 Ų | 102 | 58.7 Ų | 58.7 | 50% | 0.502 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -77.8 | -14.1 | -177.7 | -70.1 | -177.3 | 66.9 | 0 | 0 | 114 | F591 N594 E595 | F591-M597 HydrophobicContact CB-CB 4.26Å; F591-M597 HydrophobicContact CB-SD 4.43Å; F591-M597 HydrophobicContact CD1-CE 4.28Å; F591-M597 HydrophobicContact CD1-SD 4.44Å; F591-M597 HydrophobicContact CD2-CB 3.52Å; F591-M597 HydrophobicContact CD2-CE 4.25Å; F591-M597 HydrophobicContact CD2-SD 4.43Å; F591-M597 HydrophobicContact CE1-CE 4.27Å; F591-M597 HydrophobicContact CE2-CB 4.17Å; F591-M597 HydrophobicContact CE2-CE 4.21Å; F591-M597 HydrophobicContact CG-CB 4.05Å; F591-M597 HydrophobicContact CG-CE 4.31Å; F591-M597 HydrophobicContact CG-SD 4.18Å; F591-M597 HydrophobicContact CZ-CE 4.24Å; N594-M597 HydrophobicContact CB-CG 4.15Å; N594-M597 HydrophobicContact CB-SD 4.01Å; N594-M597 WeakPolarHBondContact ND2-CG 3.41Å; N594-M597 PolarHBondContact O-N 3.21Å; N594-M597 VanDerWaalsContact O-N 3.11Å; E595-M597 PolarHBondContact O-N 3.31Å |
| 598 | G | 90.2 | Very high | 91.7 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | trans | 149.1 | 163.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D590 F596 | D590-G598 PolarHBondContact N-O 3.42Å; D590-G598 WeakPolarHBondContact OD2-CA 3.39Å; F596-G598 VanDerWaalsContact C-N 3.31Å; F596-G598 PolarHBondContact O-N 2.91Å | ||
| 599 | S | 93.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 147.2 | 170.6 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | R587 V588 D590 | R587-S599 PolarHBondContact NE-OG 3.25Å; R587-S599 PolarHBondContact NH2-OG 3.17Å; R587-S599 VanDerWaalsContact NH2-OG 3.09Å; V588-S599 CarbonylContact O-C 3.49Å; V588-S599 WeakPolarHBondContact O-CA 3.47Å; V588-S599 VanDerWaalsContact O-CB 3.26Å; V588-S599 WeakPolarHBondContact O-CB 3.28Å; D590-S599 PolarHBondContact OD2-N 3.04Å; D590-S599 VanDerWaalsContact OD2-N 3.11Å |
| 600 | H | 94.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 11% | 0.106 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 172.6 | 171.1 | 62.7 | -82.7 | 0 | 0 | 0 | 110.9 | R563 V588 D590 D726 S728 | R563-H600 PolarHBondContact O-CE1 3.35Å; V588-H600 WeakPolarHBondContact CB-NE2 3.5Å; V588-H600 VanDerWaalsContact CG1-CE1 3.41Å; V588-H600 WeakPolarHBondContact CG1-CE1 3.33Å; V588-H600 PolarHBondContact N-O 3.23Å; V588-H600 PolarHBondContact O-N 3.14Å; D590-H600 IonicContact OD1-CE1 3.57Å; D590-H600 IonicContact OD1-CG 3.96Å; D590-H600 PolarHBondContact OD1-N 2.89Å; D590-H600 IonicContact OD1-ND1 3.25Å; D590-H600 PolarHBondContact OD1-ND1 3.24Å; H600-D726 IonicContact NE2-OD2 3.18Å; H600-S728 WeakPolarHBondContact CD2-CB 3.26Å |
| 601 | V | 94.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131 | -179.8 | 177 | 0 | 0 | 0 | 0 | 108.9 | D585 V586 | D585-V601 HydrophobicContact CB-CG1 3.51Å; V586-V601 WeakPolarHBondContact O-CA 3.46Å |
| 602 | V | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.4 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | M565 V586 V588 W677 D726 | M565-V602 HydrophobicContact CE-CB 4.4Å; M565-V602 HydrophobicContact CE-CG1 4.13Å; M565-V602 HydrophobicContact CE-CG2 4.26Å; V586-V602 PolarHBondContact N-O 3.23Å; V586-V602 PolarHBondContact O-N 3.39Å; V588-V602 HydrophobicContact CG2-CB 4.38Å; V588-V602 HydrophobicContact CG2-CG2 3.84Å; V602-W677 HydrophobicContact CG1-CH2 4.18Å; V602-W677 HydrophobicContact CG1-CZ3 4.39Å; V602-D726 HydrophobicContact CG1-CB 4.14Å; V602-D726 HydrophobicContact CG2-CB 4.15Å |
| 603 | P | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 147.6 | 176.5 | 28.8 | -33.7 | 0 | 0 | 0 | 110.6 | R583 N584 W677 S679 E680 | R583-P603 HydrophobicContact CG-CB 4.16Å; N584-P603 CarbonylContact O-C 3.59Å; P603-W677 WeakPolarHBondContact O-CH2 3.38Å; P603-W677 VanDerWaalsContact O-CZ3 3.27Å; P603-W677 WeakPolarHBondContact O-CZ3 3.21Å; P603-S679 VanDerWaalsContact O-CB 3.23Å; P603-S679 WeakPolarHBondContact O-CB 3.47Å; P603-E680 HydrophobicContact CG-CB 4.04Å; P603-E680 HydrophobicContact CG-CG 4.41Å |
| 604 | F | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.3 | 171 | -178.3 | -93.6 | 0 | 0 | 0 | 108.4 | I575 L578 N584 V586 I608 L634 A637 Y639 W677 | I575-F604 HydrophobicContact CD1-CE1 3.99Å; I575-F604 HydrophobicContact CD1-CE2 4.14Å; I575-F604 HydrophobicContact CD1-CZ 3.41Å; I575-F604 VanDerWaalsContact CD1-CZ 3.41Å; L578-F604 HydrophobicContact CD2-CE1 4.46Å; N584-F604 HydrophobicContact CB-CB 4.36Å; N584-F604 PolarHBondContact N-O 2.93Å; N584-F604 PolarHBondContact O-N 3.31Å; V586-F604 HydrophobicContact CG2-CB 3.78Å; F604-I608 HydrophobicContact CD2-CG2 4.31Å; F604-I608 HydrophobicContact CE2-CG2 4.16Å; F604-L634 HydrophobicContact CE2-CD1 3.72Å; F604-L634 HydrophobicContact CZ-CD1 4.3Å; F604-A637 HydrophobicContact CD2-CB 4.32Å; F604-A637 HydrophobicContact CE2-CB 4.42Å; F604-Y639 HydrophobicContact CD1-CD2 4.17Å; F604-Y639 AromaticContact CD1-CE2 3.79Å; F604-Y639 HydrophobicContact CD1-CE2 3.79Å; F604-Y639 HydrophobicContact CD2-CD2 4.43Å; F604-Y639 AromaticContact CE1-CD2 3.63Å; F604-Y639 HydrophobicContact CE1-CD2 3.63Å; F604-Y639 AromaticContact CE1-CE2 3.57Å; F604-Y639 HydrophobicContact CE1-CE2 3.57Å; F604-Y639 AromaticContact CE2-CD2 3.94Å; F604-Y639 HydrophobicContact CE2-CD2 3.94Å; F604-Y639 HydrophobicContact CE2-CE2 4.5Å; F604-Y639 HydrophobicContact CG-CE2 4.33Å; F604-Y639 AromaticContact CZ-CD2 3.49Å; F604-Y639 HydrophobicContact CZ-CD2 3.49Å; F604-Y639 VanDerWaalsContact CZ-CD2 3.49Å; F604-Y639 AromaticContact CZ-CE2 3.95Å; F604-Y639 HydrophobicContact CZ-CE2 3.95Å; F604-Y639 HydrophobicContact CZ-CG 4.34Å; F604-W677 HydrophobicContact CB-CH2 3.72Å; F604-W677 HydrophobicContact CB-CZ3 4.12Å; F604-W677 HydrophobicContact CD2-CD2 4.44Å; F604-W677 HydrophobicContact CD2-CE3 4.05Å; F604-W677 AromaticContact CD2-CH2 3.5Å; F604-W677 HydrophobicContact CD2-CH2 3.5Å; F604-W677 AromaticContact CD2-CZ2 3.88Å; F604-W677 HydrophobicContact CD2-CZ2 3.88Å; F604-W677 AromaticContact CD2-CZ3 3.57Å; F604-W677 HydrophobicContact CD2-CZ3 3.57Å; F604-W677 HydrophobicContact CE2-CZ3 4.5Å; F604-W677 HydrophobicContact CG-CH2 4.11Å; F604-W677 HydrophobicContact CG-CZ3 4.32Å |
| 605 | T | 95.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 45 Ų | 45 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | trans | -127.9 | -178.3 | -176.7 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | R583 T607 S679 E680 | R583-T605 HydrophobicContact CB-CG2 4.32Å; R583-T605 HydrophobicContact CG-CG2 4.34Å; T605-T607 PolarHBondContact O-N 3.38Å; T605-T607 PolarHBondContact OG1-N 3.05Å; T605-T607 PolarHBondContact OG1-O 2.87Å; T605-T607 VanDerWaalsContact OG1-O 3.11Å; T605-S679 PolarHBondContact N-OG 3.18Å; T605-S679 PolarHBondContact OG1-OG 2.92Å; T605-E680 HydrophobicContact CG2-CG 4.11Å; T605-E680 WeakPolarHBondContact CG2-OE1 3.42Å | ||
| 606 | R | 94.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 28% | 0.279 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -58.8 | -30.6 | 177.5 | -175.7 | 178.5 | 171.3 | 98.9 | -1.1 | 112.9 | T574 I575 T576 L578 | T574-R606 HydrophobicContact CG2-CG 4.48Å; I575-R606 PolarHBondContact N-O 2.65Å; I575-R606 WeakPolarHBondContact O-CG 3.38Å; I575-R606 PolarHBondContact O-NH1 2.83Å; T576-R606 PolarHBondContact O-NH1 3.11Å; L578-R606 HydrophobicContact CD2-CB 4.24Å; L578-R606 PolarHBondContact O-NH1 3.26Å |
| 607 | T | 96.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 38 Ų | 38 | 28% | 0.282 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.7 | -178.4 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | K572 V573 T605 F609 S679 | K572-T607 HydrophobicContact CG-CG2 4.08Å; V573-T607 WeakPolarHBondContact O-CA 3.48Å; T605-T607 PolarHBondContact O-N 3.38Å; T605-T607 PolarHBondContact OG1-N 3.05Å; T605-T607 PolarHBondContact OG1-O 2.87Å; T605-T607 VanDerWaalsContact OG1-O 3.11Å; T607-F609 HydrophobicContact CG2-CE2 4.29Å; T607-F609 HydrophobicContact CG2-CZ 4.33Å; T607-S679 PolarHBondContact O-OG 3.48Å |
| 608 | I | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 164.7 | 175.5 | 71.8 | 178.1 | 0 | 0 | 0 | 109.5 | V573 I575 F604 L634 W677 V678 | V573-I608 HydrophobicContact CB-CG1 3.76Å; V573-I608 HydrophobicContact CG1-CD1 4.41Å; V573-I608 HydrophobicContact CG1-CG1 4.07Å; V573-I608 PolarHBondContact N-O 3.22Å; V573-I608 PolarHBondContact O-N 3.23Å; I575-I608 HydrophobicContact CD1-CD1 4.49Å; F604-I608 HydrophobicContact CD2-CG2 4.31Å; F604-I608 HydrophobicContact CE2-CG2 4.16Å; I608-L634 HydrophobicContact CD1-CD1 3.57Å; I608-L634 HydrophobicContact CD1-CD2 4.23Å; I608-W677 HydrophobicContact CB-CE3 4.29Å; I608-W677 HydrophobicContact CD1-CB 4.39Å; I608-W677 HydrophobicContact CG2-CE3 4.03Å; I608-W677 HydrophobicContact CG2-CZ3 4.43Å; I608-V678 CarbonylContact C-O 3.58Å; I608-V678 WeakPolarHBondContact CA-O 3.45Å |
| 609 | F | 98.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.6 | 173.6 | -58.7 | -94 | 0 | 0 | 0 | 109.4 | P570 L571 K572 T607 W677 V678 P681 L724 | P570-F609 HydrophobicContact CB-CB 4.3Å; P570-F609 HydrophobicContact CB-CD1 4.08Å; L571-F609 WeakPolarHBondContact O-CA 3.37Å; K572-F609 HydrophobicContact CB-CD1 4.13Å; K572-F609 HydrophobicContact CB-CE1 3.87Å; K572-F609 HydrophobicContact CG-CE1 3.99Å; K572-F609 HydrophobicContact CG-CZ 4.46Å; T607-F609 HydrophobicContact CG2-CE2 4.29Å; T607-F609 HydrophobicContact CG2-CZ 4.33Å; F609-W677 CarbonylContact O-C 3.52Å; F609-W677 VanDerWaalsContact O-CA 3.26Å; F609-W677 WeakPolarHBondContact O-CA 3.41Å; F609-V678 HydrophobicContact CB-CG2 3.88Å; F609-V678 PolarHBondContact N-O 3.47Å; F609-V678 PolarHBondContact O-N 2.86Å; F609-P681 HydrophobicContact CD2-CG 3.93Å; F609-P681 HydrophobicContact CE2-CG 4.12Å; F609-L724 HydrophobicContact CB-CD1 3.94Å; F609-L724 HydrophobicContact CD1-CD1 3.7Å; F609-L724 HydrophobicContact CD2-CD1 3.84Å; F609-L724 HydrophobicContact CE1-CD1 4.12Å; F609-L724 HydrophobicContact CE2-CD1 4.26Å; F609-L724 HydrophobicContact CG-CD1 3.54Å; F609-L724 HydrophobicContact CZ-CD1 4.38Å |
| 610 | I | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 168.2 | 175.6 | 65.5 | 174.1 | 0 | 0 | 0 | 109.1 | V567 L571 V573 L626 L657 I675 W677 | V567-I610 VanDerWaalsContact CG1-C 3.42Å; V567-I610 VanDerWaalsContact CG1-O 3.28Å; V567-I610 WeakPolarHBondContact CG1-O 3.43Å; L571-I610 HydrophobicContact CB-CG1 4.2Å; L571-I610 PolarHBondContact N-O 3.32Å; L571-I610 PolarHBondContact O-N 3.43Å; L571-I610 VanDerWaalsContact O-N 3.08Å; V573-I610 HydrophobicContact CG2-CD1 3.81Å; V573-I610 HydrophobicContact CG2-CG1 3.76Å; V573-I610 HydrophobicContact CG2-CG2 4.38Å; I610-L626 HydrophobicContact CD1-CD2 4.13Å; I610-L657 HydrophobicContact CD1-CD1 4.49Å; I610-I675 HydrophobicContact CB-CD1 4.12Å; I610-I675 HydrophobicContact CD1-CD1 4.07Å; I610-I675 HydrophobicContact CG2-CD1 3.94Å; I610-W677 HydrophobicContact CG2-CB 4.04Å |
| 611 | E | 96.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 137.8 | 173.8 | -68.2 | -71.3 | 178.2 | 0 | 0 | 111.6 | V567 L568 E569 S613 D614 H676 | V567-E611 WeakPolarHBondContact CA-OE1 3.46Å; V567-E611 HydrophobicContact CG1-CG 4.27Å; L568-E611 PolarHBondContact N-OE1 2.75Å; L568-E611 PolarHBondContact N-OE2 2.9Å; E569-E611 PolarHBondContact N-OE2 3.25Å; E569-E611 CarbonylContact O-C 3.51Å; E611-S613 PolarHBondContact O-N 3.19Å; E611-D614 HydrophobicContact CB-CB 4.27Å; E611-D614 PolarHBondContact O-N 3.39Å; E611-H676 WeakPolarHBondContact CG-CE1 3.26Å; E611-H676 VanDerWaalsContact CG-NE2 3.29Å; E611-H676 WeakPolarHBondContact CG-NE2 3.45Å; E611-H676 IonicContact OE1-CE1 3.04Å; E611-H676 IonicContact OE1-NE2 2.9Å; E611-H676 PolarHBondContact OE1-NE2 3.09Å |
| 612 | Q | 95.1 | Very high | 93.4 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -54.1 | -36.7 | 171.8 | -166.9 | 73.4 | 30.8 | 0 | 0 | 111.2 | E569 D614 F615 V654 | E569-Q612 HydrophobicContact CB-CB 3.93Å; E569-Q612 WeakPolarHBondContact O-CB 3.1Å; E569-Q612 PolarHBondContact O-N 2.98Å; Q612-D614 VanDerWaalsContact C-N 3.26Å; Q612-D614 PolarHBondContact O-N 3.17Å; Q612-F615 PolarHBondContact O-N 3Å; Q612-V654 PolarHBondContact NE2-O 3.47Å |
| 613 | S | 94.1 | Very high | 93.2 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -72.8 | -11.2 | 179.3 | 69.9 | 0 | 0 | 0 | 0 | 115 | E611 Y623 | E611-S613 PolarHBondContact O-N 3.19Å; S613-Y623 PolarHBondContact O-OH 2.82Å |
| 614 | D | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -91.3 | 0.3 | 177.1 | -76.6 | -35.4 | 0 | 0 | 0 | 113.6 | E611 Q612 Y623 R625 L626 I675 R742 | E611-D614 HydrophobicContact CB-CB 4.27Å; E611-D614 PolarHBondContact O-N 3.39Å; Q612-D614 VanDerWaalsContact C-N 3.26Å; Q612-D614 PolarHBondContact O-N 3.17Å; D614-Y623 WeakPolarHBondContact CA-OH 3.31Å; D614-Y623 PolarHBondContact O-OH 3.38Å; D614-R625 HydrophobicContact CB-CB 4.32Å; D614-R625 WeakPolarHBondContact O-CB 3.32Å; D614-R625 WeakPolarHBondContact OD1-CG 3.43Å; D614-R625 IonicContact OD1-CZ 3.47Å; D614-R625 IonicContact OD1-NE 3.66Å; D614-R625 PolarHBondContact OD1-NE 3.43Å; D614-R625 IonicContact OD1-NH2 3.2Å; D614-L626 WeakPolarHBondContact O-CB 3.48Å; D614-L626 PolarHBondContact O-N 3.26Å; D614-I675 HydrophobicContact CB-CD1 4.09Å; D614-I675 HydrophobicContact CB-CG2 4.21Å; D614-R742 IonicContact OD1-CZ 2.8Å; D614-R742 IonicContact OD1-NH1 3.5Å; D614-R742 IonicContact OD1-NH2 2.7Å; D614-R742 PolarHBondContact OD1-NH2 3.18Å; D614-R742 IonicContact OD2-CZ 2.65Å; D614-R742 IonicContact OD2-NH1 3.77Å; D614-R742 PolarHBondContact OD2-NH1 3.36Å; D614-R742 IonicContact OD2-NH2 2.7Å; D614-R742 PolarHBondContact OD2-NH2 3.09Å |
| 615 | F | 96.3 | Very high | 93 | Very high | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -116.2 | 136.3 | 166 | 176.5 | -107.3 | 0 | 0 | 0 | 112.3 | L571 Q612 E617 Y623 L626 P628 V643 V646 V654 L657 | L571-F615 HydrophobicContact CD2-CB 3.7Å; L571-F615 HydrophobicContact CD2-CD1 4.27Å; L571-F615 HydrophobicContact CD2-CG 4.23Å; Q612-F615 PolarHBondContact O-N 3Å; F615-E617 HydrophobicContact CE1-CG 3.85Å; F615-E617 HydrophobicContact CZ-CG 4.05Å; F615-Y623 PolarHBondContact N-OH 2.66Å; F615-L626 WeakPolarHBondContact CA-O 3.36Å; F615-L626 HydrophobicContact CD2-CB 4.34Å; F615-L626 HydrophobicContact CD2-CD2 4.26Å; F615-L626 HydrophobicContact CD2-CG 4.07Å; F615-P628 HydrophobicContact CE2-CG 4.46Å; F615-P628 HydrophobicContact CZ-CG 4.45Å; F615-V643 HydrophobicContact CD2-CG2 4.32Å; F615-V643 HydrophobicContact CE2-CG2 3.95Å; F615-V646 HydrophobicContact CE1-CG1 4.13Å; F615-V646 HydrophobicContact CE1-CG2 4.38Å; F615-V646 HydrophobicContact CE2-CG2 4.47Å; F615-V646 HydrophobicContact CZ-CG1 4.25Å; F615-V646 HydrophobicContact CZ-CG2 3.68Å; F615-V654 HydrophobicContact CD1-CG1 4.04Å; F615-V654 HydrophobicContact CE1-CB 4.49Å; F615-V654 HydrophobicContact CE1-CG1 3.95Å; F615-V654 HydrophobicContact CE1-CG2 4.05Å; F615-L657 HydrophobicContact CB-CD1 4Å; F615-L657 HydrophobicContact CD1-CD1 4.28Å; F615-L657 HydrophobicContact CD1-CD2 4.06Å; F615-L657 HydrophobicContact CD2-CD1 3.72Å; F615-L657 HydrophobicContact CD2-CD2 4.26Å; F615-L657 HydrophobicContact CE1-CD2 3.88Å; F615-L657 HydrophobicContact CE2-CD1 4.3Å; F615-L657 HydrophobicContact CE2-CD2 4.1Å; F615-L657 HydrophobicContact CG-CD1 3.71Å; F615-L657 HydrophobicContact CG-CD2 4.25Å; F615-L657 HydrophobicContact CZ-CD2 3.91Å |
| 616 | R | 93.6 | Very high | 93 | Very high | 93 Ų | 93 | 66 Ų | 66 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | trans | -138.6 | 140 | 168.9 | -69 | -171.5 | -178.7 | -170.6 | 2.8 | 111.1 | E620 Y623 L626 T627 P628 | R616-E620 IonicContact CZ-OE1 3.76Å; R616-E620 IonicContact CZ-OE2 3.95Å; R616-E620 IonicContact NH1-OE1 3.56Å; R616-E620 PolarHBondContact NH1-OE1 3.15Å; R616-E620 IonicContact NH1-OE2 2.8Å; R616-E620 PolarHBondContact NH1-OE2 2.81Å; R616-Y623 HydrophobicContact CB-CE1 4.13Å; R616-Y623 HydrophobicContact CG-CE1 4.23Å; R616-Y623 HydrophobicContact CG-CE2 3.95Å; R616-L626 PolarHBondContact N-O 3.05Å; R616-L626 VanDerWaalsContact N-O 3.08Å; R616-T627 WeakPolarHBondContact O-CA 3.46Å; R616-T627 WeakPolarHBondContact O-CB 3.3Å; R616-T627 WeakPolarHBondContact O-CG2 3.41Å; R616-P628 WeakPolarHBondContact O-CD 3.45Å | ||
| 617 | E | 90.8 | Very high | 93 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -72.3 | -36 | 177 | -63.4 | -167.3 | 96.4 | 0 | 0 | 112.3 | F615 K648 | F615-E617 HydrophobicContact CE1-CG 3.85Å; F615-E617 HydrophobicContact CZ-CG 4.05Å; E617-K648 WeakPolarHBondContact OE1-CE 3.42Å; E617-K648 IonicContact OE1-NZ 3.63Å; E617-K648 PolarHBondContact OE1-NZ 2.66Å; E617-K648 IonicContact OE2-NZ 3.8Å; E617-K648 PolarHBondContact OE2-NZ 3.43Å |
| 618 | M | 88.1 | Confident | 92.9 | Very high | 157 Ų | 157 | 62.9 Ų | 62.9 | 77% | 0.773 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -108.1 | 133.3 | 178.4 | -64.3 | -171.1 | -177.7 | 0 | 0 | 110.7 | E620 | M618-E620 PolarHBondContact O-N 3.02Š|
| 619 | M | 85.1 | Confident | 92.6 | Very high | 102 Ų | 102 | 69.7 Ų | 69.7 | 50% | 0.502 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -74 | 121.4 | 174.7 | -177.9 | 179.9 | -101.3 | 0 | 0 | 110.2 | Q630 | M619-Q630 HydrophobicContact CE-CB 4.05Å; M619-Q630 HydrophobicContact CE-CG 4.36Å |
| 620 | E | 87.6 | Confident | 92.3 | Very high | 109 Ų | 109 | 67.7 Ų | 67.7 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 151.8 | 170 | -76.1 | 170.6 | -133.4 | 0 | 0 | 111.3 | R616 M618 G622 Y623 | R616-E620 IonicContact CZ-OE1 3.76Å; R616-E620 IonicContact CZ-OE2 3.95Å; R616-E620 IonicContact NH1-OE1 3.56Å; R616-E620 PolarHBondContact NH1-OE1 3.15Å; R616-E620 IonicContact NH1-OE2 2.8Å; R616-E620 PolarHBondContact NH1-OE2 2.81Å; M618-E620 PolarHBondContact O-N 3.02Å; E620-G622 PolarHBondContact O-N 3.17Å; E620-G622 VanDerWaalsContact O-N 3.13Å; E620-Y623 WeakPolarHBondContact O-CB 3.31Å; E620-Y623 PolarHBondContact O-N 2.99Å |
| 621 | K | 86.5 | Confident | 92.2 | Very high | 222 Ų | 222 | 68.4 Ų | 68.4 | 97% | 0.965 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 119 | 178.2 | -168.9 | 177.7 | -179.1 | -179.5 | 0 | 110 | ||
| 622 | G | 85.9 | Confident | 92.1 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 68% | 0.68 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | -6.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E620 | E620-G622 PolarHBondContact O-N 3.17Å; E620-G622 VanDerWaalsContact O-N 3.13Å |
| 623 | Y | 90.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 6% | 0.059 | 33% | 0.327 | C | S | . | . | trans | -76.7 | 123.1 | 174.8 | -170.6 | -100.1 | 0 | 0 | 0 | 111.6 | S613 D614 F615 R616 E620 R625 T627 Q630 | S613-Y623 PolarHBondContact O-OH 2.82Å; D614-Y623 WeakPolarHBondContact CA-OH 3.31Å; D614-Y623 PolarHBondContact O-OH 3.38Å; F615-Y623 PolarHBondContact N-OH 2.66Å; R616-Y623 HydrophobicContact CB-CE1 4.13Å; R616-Y623 HydrophobicContact CG-CE1 4.23Å; R616-Y623 HydrophobicContact CG-CE2 3.95Å; E620-Y623 WeakPolarHBondContact O-CB 3.31Å; E620-Y623 PolarHBondContact O-N 2.99Å; Y623-R625 HydrophobicContact CE1-CB 3.96Å; Y623-R625 HydrophobicContact CE2-CB 4.38Å; Y623-T627 HydrophobicContact CD1-CG2 3.74Å; Y623-T627 HydrophobicContact CE1-CG2 3.68Å; Y623-Q630 PolarHBondContact O-NE2 3.37Å | ||
| 624 | K | 92.3 | Very high | 92.3 | Very high | 125 Ų | 125 | 61.7 Ų | 61.7 | 54% | 0.543 | 31% | 0.306 | S | S | . | . | trans | -113.3 | 0.4 | -172 | -59.6 | -178 | -177 | -180 | 0 | 114.9 | Q630 K672 A673 | K624-Q630 PolarHBondContact O-NE2 3.08Å; K624-K672 HydrophobicContact CB-CB 4.13Å; K624-A673 HydrophobicContact CB-CB 3.98Å; K624-A673 VanDerWaalsContact O-CB 3.31Å; K624-A673 WeakPolarHBondContact O-CB 3.32Å | ||
| 625 | R | 94.4 | Very high | 92.2 | Very high | 82 Ų | 82 | 65.8 Ų | 65.8 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -98.6 | -159.5 | -176.8 | -51.3 | 91.4 | 118 | 171.3 | 6.1 | 110.9 | D614 Y623 Q630 V632 I675 | D614-R625 HydrophobicContact CB-CB 4.32Å; D614-R625 WeakPolarHBondContact O-CB 3.32Å; D614-R625 WeakPolarHBondContact OD1-CG 3.43Å; D614-R625 IonicContact OD1-CZ 3.47Å; D614-R625 IonicContact OD1-NE 3.66Å; D614-R625 PolarHBondContact OD1-NE 3.43Å; D614-R625 IonicContact OD1-NH2 3.2Å; Y623-R625 HydrophobicContact CE1-CB 3.96Å; Y623-R625 HydrophobicContact CE2-CB 4.38Å; R625-Q630 PolarHBondContact O-NE2 2.96Å; R625-V632 HydrophobicContact CB-CG2 4.36Å; R625-I675 HydrophobicContact CB-CG2 4.22Å; R625-I675 HydrophobicContact CG-CG2 3.81Å |
| 626 | L | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 129.4 | -168 | -167.8 | 61.1 | 0 | 0 | 0 | 112 | I610 D614 F615 R616 V632 I641 V643 L657 | I610-L626 HydrophobicContact CD1-CD2 4.13Å; D614-L626 WeakPolarHBondContact O-CB 3.48Å; D614-L626 PolarHBondContact O-N 3.26Å; F615-L626 WeakPolarHBondContact CA-O 3.36Å; F615-L626 HydrophobicContact CD2-CB 4.34Å; F615-L626 HydrophobicContact CD2-CD2 4.26Å; F615-L626 HydrophobicContact CD2-CG 4.07Å; R616-L626 PolarHBondContact N-O 3.05Å; R616-L626 VanDerWaalsContact N-O 3.08Å; L626-V632 HydrophobicContact CB-CB 4.23Å; L626-V632 HydrophobicContact CB-CG1 3.94Å; L626-V632 HydrophobicContact CD1-CB 4.36Å; L626-V632 HydrophobicContact CD1-CG1 4Å; L626-V632 HydrophobicContact CG-CG1 4.38Å; L626-I641 HydrophobicContact CD1-CG1 4.45Å; L626-I641 HydrophobicContact CD2-CD1 4.11Å; L626-V643 HydrophobicContact CD1-CG2 3.71Å; L626-V643 HydrophobicContact CD2-CG2 3.8Å; L626-V643 HydrophobicContact CG-CG2 3.59Å; L626-L657 HydrophobicContact CD2-CD1 3.77Å |
| 627 | T | 94.5 | Very high | 92 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -136.1 | 169.8 | 166.3 | 73.3 | 0 | 0 | 0 | 0 | 108.8 | R616 Y623 D629 Q630 | R616-T627 WeakPolarHBondContact O-CA 3.46Å; R616-T627 WeakPolarHBondContact O-CB 3.3Å; R616-T627 WeakPolarHBondContact O-CG2 3.41Å; Y623-T627 HydrophobicContact CD1-CG2 3.74Å; Y623-T627 HydrophobicContact CE1-CG2 3.68Å; T627-D629 PolarHBondContact O-N 2.89Å; T627-D629 PolarHBondContact OG1-N 3.4Å; T627-Q630 PolarHBondContact N-O 2.92Å; T627-Q630 VanDerWaalsContact N-O 3.15Å; T627-Q630 PolarHBondContact O-N 2.9Å; T627-Q630 VanDerWaalsContact O-O 3.1Å; T627-Q630 WeakPolarHBondContact OG1-CB 3.25Å; T627-Q630 PolarHBondContact OG1-N 3.33Å; T627-Q630 VanDerWaalsContact OG1-N 3.17Å |
| 628 | P | 93.7 | Very high | 92 | Very high | 53 Ų | 53 | 62 Ų | 62 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -36.7 | 174.1 | -29.5 | 37.6 | 0 | 0 | 0 | 113.6 | F615 R616 | F615-P628 HydrophobicContact CE2-CG 4.46Å; F615-P628 HydrophobicContact CZ-CG 4.45Å; R616-P628 WeakPolarHBondContact O-CD 3.45Å |
| 629 | D | 91.1 | Very high | 92.2 | Very high | 142 Ų | 142 | 57.5 Ų | 57.5 | 76% | 0.759 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 4.6 | -176.8 | -48.7 | -57.3 | 0 | 0 | 0 | 114.1 | T627 | T627-D629 PolarHBondContact O-N 2.89Å; T627-D629 PolarHBondContact OG1-N 3.4Å |
| 630 | Q | 92.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -137.8 | 118.7 | -175.6 | -175.6 | 172.4 | -90.1 | 0 | 0 | 112 | M619 Y623 K624 R625 T627 K672 | M619-Q630 HydrophobicContact CE-CB 4.05Å; M619-Q630 HydrophobicContact CE-CG 4.36Å; Y623-Q630 PolarHBondContact O-NE2 3.37Å; K624-Q630 PolarHBondContact O-NE2 3.08Å; R625-Q630 PolarHBondContact O-NE2 2.96Å; T627-Q630 PolarHBondContact N-O 2.92Å; T627-Q630 VanDerWaalsContact N-O 3.15Å; T627-Q630 PolarHBondContact O-N 2.9Å; T627-Q630 VanDerWaalsContact O-O 3.1Å; T627-Q630 WeakPolarHBondContact OG1-CB 3.25Å; T627-Q630 PolarHBondContact OG1-N 3.33Å; T627-Q630 VanDerWaalsContact OG1-N 3.17Å; Q630-K672 VanDerWaalsContact OE1-CD 3.24Å; Q630-K672 VanDerWaalsContact OE1-CE 3.27Å |
| 631 | P | 94.9 | Very high | 93.1 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | trans | -74 | 161.7 | 176.1 | 31 | -35.2 | 0 | 0 | 0 | 112.8 | V640 I641 E669 | P631-V640 HydrophobicContact CB-CG1 3.74Å; P631-I641 VanDerWaalsContact CA-O 3.29Å; P631-I641 WeakPolarHBondContact CA-O 3.27Å; P631-I641 WeakPolarHBondContact CB-O 3.41Å; P631-E669 HydrophobicContact CG-CB 4.33Å | ||
| 632 | V | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.9 | 175 | 80.3 | 0 | 0 | 0 | 0 | 111.2 | R625 L626 V640 I641 A673 I675 | R625-V632 HydrophobicContact CB-CG2 4.36Å; L626-V632 HydrophobicContact CB-CB 4.23Å; L626-V632 HydrophobicContact CB-CG1 3.94Å; L626-V632 HydrophobicContact CD1-CB 4.36Å; L626-V632 HydrophobicContact CD1-CG1 4Å; L626-V632 HydrophobicContact CG-CG1 4.38Å; V632-V640 WeakPolarHBondContact O-CA 3.48Å; V632-I641 HydrophobicContact CG1-CD1 4.04Å; V632-I641 HydrophobicContact CG1-CG1 3.67Å; V632-I641 PolarHBondContact N-O 3.01Å; V632-I641 PolarHBondContact O-N 3.35Å; V632-A673 WeakPolarHBondContact CG2-O 3.41Å; V632-I675 HydrophobicContact CG1-CD1 3.67Å; V632-I675 HydrophobicContact CG1-CG1 3.98Å; V632-I675 HydrophobicContact CG2-CB 4.45Å; V632-I675 HydrophobicContact CG2-CD1 4.29Å; V632-I675 HydrophobicContact CG2-CG1 4.04Å; V632-I675 HydrophobicContact CG2-CG2 3.75Å |
| 633 | G | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 147.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A673 F674 I675 | G633-A673 PolarHBondContact N-O 2.96Å; G633-F674 CarbonylContact O-C 3.59Å; G633-F674 VanDerWaalsContact O-CA 3.25Å; G633-F674 WeakPolarHBondContact O-CA 3.37Å; G633-I675 PolarHBondContact O-N 3.07Å |
| 634 | L | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.7 | 171.7 | -63.7 | -176.1 | 0 | 0 | 0 | 109.6 | F604 I608 H636 A637 Y639 I641 I675 W677 | F604-L634 HydrophobicContact CE2-CD1 3.72Å; F604-L634 HydrophobicContact CZ-CD1 4.3Å; I608-L634 HydrophobicContact CD1-CD1 3.57Å; I608-L634 HydrophobicContact CD1-CD2 4.23Å; L634-H636 PolarHBondContact O-N 3.38Å; L634-A637 HydrophobicContact CB-CB 4.1Å; L634-Y639 PolarHBondContact N-O 2.96Å; L634-I641 HydrophobicContact CD1-CG2 3.87Å; L634-I641 HydrophobicContact CD2-CD1 4Å; L634-I641 HydrophobicContact CD2-CG1 4.39Å; L634-I641 HydrophobicContact CG-CG2 4.24Å; L634-I675 HydrophobicContact CD2-CD1 4.46Å; L634-I675 HydrophobicContact CD2-CG1 4.1Å; L634-W677 HydrophobicContact CB-CG 4.41Å; L634-W677 HydrophobicContact CD2-CB 4.19Å; L634-W677 HydrophobicContact CD2-CG 4.16Å |
| 635 | R | 94.3 | Very high | 94.4 | Very high | 87 Ų | 87 | 40.7 Ų | 40.7 | 33% | 0.328 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 138.5 | -179.6 | -77.7 | -175.2 | 165.8 | -112.8 | -9.1 | 111.4 | A637 F674 I675 W677 E741 | R635-A637 PolarHBondContact O-N 3.22Å; R635-F674 HydrophobicContact CG-CB 3.83Å; R635-F674 PolarHBondContact NE-O 3.42Å; R635-I675 WeakPolarHBondContact CG-O 3.25Å; R635-I675 PolarHBondContact N-O 3.4Å; R635-W677 PolarHBondContact O-NE1 2.87Å; R635-E741 WeakPolarHBondContact CD-OE2 3.49Å; R635-E741 IonicContact CZ-OE2 3.62Å; R635-E741 IonicContact NE-OE2 3.92Å; R635-E741 IonicContact NH1-OE2 3.12Å; R635-E741 PolarHBondContact NH1-OE2 3.32Å |
| 636 | H | 93.7 | Very high | 94.5 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -25.1 | 178.4 | -46.9 | -55.8 | 0 | 0 | 0 | 116.7 | V586 V588 L634 G638 E741 | V586-H636 HydrophobicContact CG1-CB 3.8Å; V586-H636 WeakPolarHBondContact CG1-O 3.23Å; V588-H636 HydrophobicContact CG2-CB 4.02Å; L634-H636 PolarHBondContact O-N 3.38Å; H636-G638 VanDerWaalsContact C-N 3.3Å; H636-G638 PolarHBondContact O-N 3.32Å; H636-E741 IonicContact CD2-OE1 3.85Å; H636-E741 IonicContact CE1-OE1 3.74Å; H636-E741 IonicContact NE2-OE1 3.49Å; H636-E741 PolarHBondContact NE2-OE1 3.45Å; H636-E741 IonicContact NE2-OE2 3.32Å |
| 637 | A | 91.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | V586 F604 L634 R635 Y639 W677 | V586-A637 HydrophobicContact CG2-CB 4.23Å; F604-A637 HydrophobicContact CD2-CB 4.32Å; F604-A637 HydrophobicContact CE2-CB 4.42Å; L634-A637 HydrophobicContact CB-CB 4.1Å; R635-A637 PolarHBondContact O-N 3.22Å; A637-Y639 HydrophobicContact CB-CD2 3.72Å; A637-Y639 HydrophobicContact CB-CE2 4.38Å; A637-Y639 HydrophobicContact CB-CG 4.5Å; A637-Y639 VanDerWaalsContact O-CD2 3.29Å; A637-Y639 WeakPolarHBondContact O-CD2 3.47Å; A637-Y639 WeakPolarHBondContact O-CE2 3.42Å; A637-Y639 PolarHBondContact O-N 2.69Å; A637-W677 HydrophobicContact CB-CZ2 3.78Å |
| 638 | G | 90.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | trans | 71.6 | 15.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H636 S664 | H636-G638 VanDerWaalsContact C-N 3.3Å; H636-G638 PolarHBondContact O-N 3.32Å; G638-S664 WeakPolarHBondContact O-CB 3.46Å; G638-S664 PolarHBondContact O-N 2.95Å; G638-S664 PolarHBondContact O-OG 2.95Å | ||
| 639 | Y | 92.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 153.2 | -177 | -60.5 | -54.1 | 0 | 0 | 0 | 113.3 | F604 L634 A637 C662 | F604-Y639 HydrophobicContact CD1-CD2 4.17Å; F604-Y639 AromaticContact CD1-CE2 3.79Å; F604-Y639 HydrophobicContact CD1-CE2 3.79Å; F604-Y639 HydrophobicContact CD2-CD2 4.43Å; F604-Y639 AromaticContact CE1-CD2 3.63Å; F604-Y639 HydrophobicContact CE1-CD2 3.63Å; F604-Y639 AromaticContact CE1-CE2 3.57Å; F604-Y639 HydrophobicContact CE1-CE2 3.57Å; F604-Y639 AromaticContact CE2-CD2 3.94Å; F604-Y639 HydrophobicContact CE2-CD2 3.94Å; F604-Y639 HydrophobicContact CE2-CE2 4.5Å; F604-Y639 HydrophobicContact CG-CE2 4.33Å; F604-Y639 AromaticContact CZ-CD2 3.49Å; F604-Y639 HydrophobicContact CZ-CD2 3.49Å; F604-Y639 VanDerWaalsContact CZ-CD2 3.49Å; F604-Y639 AromaticContact CZ-CE2 3.95Å; F604-Y639 HydrophobicContact CZ-CE2 3.95Å; F604-Y639 HydrophobicContact CZ-CG 4.34Å; L634-Y639 PolarHBondContact N-O 2.96Å; A637-Y639 HydrophobicContact CB-CD2 3.72Å; A637-Y639 HydrophobicContact CB-CE2 4.38Å; A637-Y639 HydrophobicContact CB-CG 4.5Å; A637-Y639 VanDerWaalsContact O-CD2 3.29Å; A637-Y639 WeakPolarHBondContact O-CD2 3.47Å; A637-Y639 WeakPolarHBondContact O-CE2 3.42Å; A637-Y639 PolarHBondContact O-N 2.69Å; Y639-C662 WeakPolarHBondContact CA-O 3.3Å |
| 640 | V | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.6 | 172.9 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | P631 V632 C661 C662 A667 P671 | P631-V640 HydrophobicContact CB-CG1 3.74Å; V632-V640 WeakPolarHBondContact O-CA 3.48Å; V640-C661 WeakPolarHBondContact O-CA 3.4Å; V640-C662 PolarHBondContact N-O 2.82Å; V640-C662 PolarHBondContact O-N 3Å; V640-A667 HydrophobicContact CB-CB 4.16Å; V640-A667 HydrophobicContact CG1-CB 4.34Å; V640-A667 HydrophobicContact CG2-CB 4.09Å; V640-P671 HydrophobicContact CG1-CB 4.4Å; V640-P671 HydrophobicContact CG2-CB 4.39Å; V640-P671 HydrophobicContact CG2-CG 3.82Å |
| 641 | I | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.2 | 179.1 | 63.5 | 171.3 | 0 | 0 | 0 | 112 | V573 L626 P631 V632 L634 V659 H660 C661 | V573-I641 HydrophobicContact CG1-CD1 4.47Å; L626-I641 HydrophobicContact CD1-CG1 4.45Å; L626-I641 HydrophobicContact CD2-CD1 4.11Å; P631-I641 VanDerWaalsContact CA-O 3.29Å; P631-I641 WeakPolarHBondContact CA-O 3.27Å; P631-I641 WeakPolarHBondContact CB-O 3.41Å; V632-I641 HydrophobicContact CG1-CD1 4.04Å; V632-I641 HydrophobicContact CG1-CG1 3.67Å; V632-I641 PolarHBondContact N-O 3.01Å; V632-I641 PolarHBondContact O-N 3.35Å; L634-I641 HydrophobicContact CD1-CG2 3.87Å; L634-I641 HydrophobicContact CD2-CD1 4Å; L634-I641 HydrophobicContact CD2-CG1 4.39Å; L634-I641 HydrophobicContact CG-CG2 4.24Å; I641-V659 HydrophobicContact CB-CB 4.24Å; I641-V659 HydrophobicContact CB-CG2 4.09Å; I641-V659 HydrophobicContact CG2-CG2 4.14Å; I641-H660 CarbonylContact C-O 3.6Å; I641-H660 VanDerWaalsContact CA-O 3.3Å; I641-H660 WeakPolarHBondContact CA-O 3.04Å; I641-C661 HydrophobicContact CG2-CB 4.14Å |
| 642 | S | 95.5 | Very high | 94.4 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.7 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | Q644 V659 H660 | S642-Q644 PolarHBondContact O-N 3.09Å; S642-V659 CarbonylContact O-C 3.56Å; S642-V659 WeakPolarHBondContact O-CA 3.44Å; S642-V659 WeakPolarHBondContact O-CB 3.27Å; S642-H660 PolarHBondContact N-O 2.99Å; S642-H660 PolarHBondContact O-N 3.17Å |
| 643 | V | 96.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.9 | -178.4 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | F615 L626 V646 | F615-V643 HydrophobicContact CD2-CG2 4.32Å; F615-V643 HydrophobicContact CE2-CG2 3.95Å; L626-V643 HydrophobicContact CD1-CG2 3.71Å; L626-V643 HydrophobicContact CD2-CG2 3.8Å; L626-V643 HydrophobicContact CG-CG2 3.59Å; V643-V646 HydrophobicContact CG1-CG2 3.88Å |
| 644 | Q | 95.4 | Very high | 94.1 | Very high | 107 Ų | 107 | 58.9 Ų | 58.9 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -39.6 | 169.9 | -65.9 | -174.9 | -41.7 | 0 | 0 | 111.2 | T576 S642 E658 H660 | T576-Q644 PolarHBondContact OG1-OE1 2.6Å; S642-Q644 PolarHBondContact O-N 3.09Å; Q644-E658 PolarHBondContact N-O 3.39Å; Q644-H660 HydrophobicContact CG-CB 4.06Å |
| 645 | K | 95.6 | Very high | 94 | Very high | 111 Ų | 111 | 62 Ų | 62 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 139.9 | -176.7 | -165.1 | -173.1 | 177.3 | -173.1 | 0 | 111 | E658 | K645-E658 HydrophobicContact CB-CB 4.01Å; K645-E658 HydrophobicContact CB-CG 4.45Å; K645-E658 VanDerWaalsContact CD-OE2 3.29Å; K645-E658 WeakPolarHBondContact CD-OE2 3.38Å; K645-E658 PolarHBondContact N-O 2.93Å; K645-E658 VanDerWaalsContact N-O 3.14Å; K645-E658 IonicContact NZ-OE1 2.72Å; K645-E658 PolarHBondContact O-N 3.08Å |
| 646 | V | 96.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.5 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | F615 V643 K648 V654 L657 | F615-V646 HydrophobicContact CE1-CG1 4.13Å; F615-V646 HydrophobicContact CE1-CG2 4.38Å; F615-V646 HydrophobicContact CE2-CG2 4.47Å; F615-V646 HydrophobicContact CZ-CG1 4.25Å; F615-V646 HydrophobicContact CZ-CG2 3.68Å; V643-V646 HydrophobicContact CG1-CG2 3.88Å; V646-K648 HydrophobicContact CG1-CG 4.4Å; V646-V654 HydrophobicContact CG1-CB 4.37Å; V646-V654 HydrophobicContact CG1-CG1 3.72Å; V646-V654 HydrophobicContact CG1-CG2 3.79Å; V646-L657 HydrophobicContact CB-CD2 4.34Å; V646-L657 HydrophobicContact CG1-CD2 4.07Å; V646-L657 HydrophobicContact CG2-CD2 4.09Å |
| 647 | I | 96.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.5 | 178.9 | -57.5 | 172.7 | 0 | 0 | 0 | 108.6 | V655 E656 E658 | I647-V655 HydrophobicContact CG2-CG2 4.13Å; I647-V655 PolarHBondContact O-N 3.28Å; I647-E656 HydrophobicContact CB-CB 4.08Å; I647-E656 WeakPolarHBondContact CB-O 3.33Å; I647-E656 HydrophobicContact CD1-CB 4.12Å; I647-E656 HydrophobicContact CD1-CG 4.02Å; I647-E656 PolarHBondContact N-O 3.16Å; I647-E656 PolarHBondContact O-N 2.85Å; I647-E658 HydrophobicContact CD1-CG 4.09Å |
| 648 | K | 95.3 | Very high | 94.6 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 40% | 0.404 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 150.1 | -177 | -61.9 | -176.9 | 178.6 | -167.3 | 0 | 111.6 | E617 V646 R653 V654 | E617-K648 WeakPolarHBondContact OE1-CE 3.42Å; E617-K648 IonicContact OE1-NZ 3.63Å; E617-K648 PolarHBondContact OE1-NZ 2.66Å; E617-K648 IonicContact OE2-NZ 3.8Å; E617-K648 PolarHBondContact OE2-NZ 3.43Å; V646-K648 HydrophobicContact CG1-CG 4.4Å; K648-R653 CarbonylContact C-O 3.53Å; K648-R653 WeakPolarHBondContact CA-O 3.38Å; K648-V654 HydrophobicContact CG-CG2 4.3Å |
| 649 | D | 93.6 | Very high | 95 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | trans | -75.7 | 177.2 | 168.9 | 70.2 | 10.8 | 0 | 0 | 0 | 111.9 | Q651 G652 R653 V655 | D649-Q651 PolarHBondContact O-N 3.43Å; D649-Q651 VanDerWaalsContact O-N 3.13Å; D649-Q651 VanDerWaalsContact OD1-C 3.29Å; D649-Q651 WeakPolarHBondContact OD1-CA 3.04Å; D649-Q651 WeakPolarHBondContact OD1-CB 3.48Å; D649-Q651 PolarHBondContact OD1-N 3.19Å; D649-Q651 PolarHBondContact OD2-OE1 3.14Å; D649-G652 PolarHBondContact O-N 2.89Å; D649-G652 PolarHBondContact OD1-N 3.47Å; D649-R653 PolarHBondContact N-O 3.09Å; D649-R653 PolarHBondContact OD1-N 2.89Å; D649-R653 IonicContact OD2-CZ 2.83Å; D649-R653 IonicContact OD2-NE 3.79Å; D649-R653 PolarHBondContact OD2-NE 2.79Å; D649-R653 IonicContact OD2-NH2 3.12Å; D649-R653 PolarHBondContact OD2-NH2 3.42Å; D649-V655 HydrophobicContact CB-CG1 3.82Å | ||
| 650 | A | 93.8 | Very high | 95 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 84% | 0.835 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 651 | Q | 92.1 | Very high | 94.9 | Very high | 142 Ų | 142 | 57.6 Ų | 57.6 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.7 | 177.7 | -65 | 74.6 | 28.5 | 0 | 0 | 112.3 | D649 R653 | D649-Q651 PolarHBondContact O-N 3.43Å; D649-Q651 VanDerWaalsContact O-N 3.13Å; D649-Q651 VanDerWaalsContact OD1-C 3.29Å; D649-Q651 WeakPolarHBondContact OD1-CA 3.04Å; D649-Q651 WeakPolarHBondContact OD1-CB 3.48Å; D649-Q651 PolarHBondContact OD1-N 3.19Å; D649-Q651 PolarHBondContact OD2-OE1 3.14Å; Q651-R653 VanDerWaalsContact C-N 3.33Å |
| 652 | G | 88.9 | Confident | 94.6 | Very high | 43 Ų | 43 | 59 Ų | 59 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 80 | 8.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D649 | D649-G652 PolarHBondContact O-N 2.89Å; D649-G652 PolarHBondContact OD1-N 3.47Å |
| 653 | R | 91.4 | Very high | 94.2 | Very high | 164 Ų | 164 | 58.6 Ų | 58.6 | 62% | 0.619 | 31% | 0.312 | S | S | * | . | trans | -80.1 | 140.6 | 174.8 | -59.1 | -178.8 | -62.6 | -178.9 | 1.4 | 109.9 | K648 D649 Q651 V655 | K648-R653 CarbonylContact C-O 3.53Å; K648-R653 WeakPolarHBondContact CA-O 3.38Å; D649-R653 PolarHBondContact N-O 3.09Å; D649-R653 PolarHBondContact OD1-N 2.89Å; D649-R653 IonicContact OD2-CZ 2.83Å; D649-R653 IonicContact OD2-NE 3.79Å; D649-R653 PolarHBondContact OD2-NE 2.79Å; D649-R653 IonicContact OD2-NH2 3.12Å; D649-R653 PolarHBondContact OD2-NH2 3.42Å; Q651-R653 VanDerWaalsContact C-N 3.33Å; R653-V655 PolarHBondContact O-N 2.65Å | ||
| 654 | V | 94.7 | Very high | 93.5 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 119 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | L571 Q612 F615 V646 K648 L657 | L571-V654 HydrophobicContact CD1-CG1 4.03Å; L571-V654 HydrophobicContact CD2-CG1 4.46Å; Q612-V654 PolarHBondContact NE2-O 3.47Å; F615-V654 HydrophobicContact CD1-CG1 4.04Å; F615-V654 HydrophobicContact CE1-CB 4.49Å; F615-V654 HydrophobicContact CE1-CG1 3.95Å; F615-V654 HydrophobicContact CE1-CG2 4.05Å; V646-V654 HydrophobicContact CG1-CB 4.37Å; V646-V654 HydrophobicContact CG1-CG1 3.72Å; V646-V654 HydrophobicContact CG1-CG2 3.79Å; K648-V654 HydrophobicContact CG-CG2 4.3Å; V654-L657 HydrophobicContact CG1-CD2 3.81Å |
| 655 | V | 95.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -25 | -175.6 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | I647 D649 R653 | I647-V655 HydrophobicContact CG2-CG2 4.13Å; I647-V655 PolarHBondContact O-N 3.28Å; D649-V655 HydrophobicContact CB-CG1 3.82Å; R653-V655 PolarHBondContact O-N 2.65Å |
| 656 | E | 97.3 | Very high | 92 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 145.3 | 178.5 | -179.4 | 168.7 | 179 | 0 | 0 | 111.1 | K572 T574 I647 | K572-E656 HydrophobicContact CB-CB 4.45Å; K572-E656 HydrophobicContact CB-CG 4.4Å; K572-E656 HydrophobicContact CD-CG 4.23Å; K572-E656 WeakPolarHBondContact CE-OE1 3.45Å; K572-E656 HydrophobicContact CG-CG 4.26Å; K572-E656 VanDerWaalsContact NZ-CD 3.27Å; K572-E656 IonicContact NZ-OE1 3.73Å; K572-E656 PolarHBondContact NZ-OE1 2.87Å; K572-E656 VanDerWaalsContact NZ-OE1 3.12Å; K572-E656 IonicContact NZ-OE2 3Å; K572-E656 PolarHBondContact NZ-OE2 3.47Å; K572-E656 CarbonylContact O-C 3.51Å; K572-E656 VanDerWaalsContact O-CA 3.29Å; K572-E656 WeakPolarHBondContact O-CA 3.27Å; T574-E656 WeakPolarHBondContact CB-OE1 2.92Å; T574-E656 PolarHBondContact OG1-OE1 2.92Å; I647-E656 HydrophobicContact CB-CB 4.08Å; I647-E656 WeakPolarHBondContact CB-O 3.33Å; I647-E656 HydrophobicContact CD1-CB 4.12Å; I647-E656 HydrophobicContact CD1-CG 4.02Å; I647-E656 PolarHBondContact N-O 3.16Å; I647-E656 PolarHBondContact O-N 2.85Å |
| 657 | L | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.3 | 170.9 | -57.4 | 178.1 | 0 | 0 | 0 | 109.9 | L571 K572 V573 T574 I610 F615 L626 V646 V654 V659 | L571-L657 HydrophobicContact CD2-CD1 3.66Å; L571-L657 HydrophobicContact CD2-CG 3.93Å; L571-L657 HydrophobicContact CG-CD1 4.39Å; L571-L657 HydrophobicContact CG-CG 4.32Å; K572-L657 PolarHBondContact O-N 2.81Å; V573-L657 CarbonylContact C-O 3.59Å; V573-L657 WeakPolarHBondContact CA-O 3.44Å; V573-L657 HydrophobicContact CG2-CB 4.31Å; V573-L657 HydrophobicContact CG2-CD1 4.39Å; T574-L657 PolarHBondContact N-O 2.71Å; I610-L657 HydrophobicContact CD1-CD1 4.49Å; F615-L657 HydrophobicContact CB-CD1 4Å; F615-L657 HydrophobicContact CD1-CD1 4.28Å; F615-L657 HydrophobicContact CD1-CD2 4.06Å; F615-L657 HydrophobicContact CD2-CD1 3.72Å; F615-L657 HydrophobicContact CD2-CD2 4.26Å; F615-L657 HydrophobicContact CE1-CD2 3.88Å; F615-L657 HydrophobicContact CE2-CD1 4.3Å; F615-L657 HydrophobicContact CE2-CD2 4.1Å; F615-L657 HydrophobicContact CG-CD1 3.71Å; F615-L657 HydrophobicContact CG-CD2 4.25Å; F615-L657 HydrophobicContact CZ-CD2 3.91Å; L626-L657 HydrophobicContact CD2-CD1 3.77Å; V646-L657 HydrophobicContact CB-CD2 4.34Å; V646-L657 HydrophobicContact CG1-CD2 4.07Å; V646-L657 HydrophobicContact CG2-CD2 4.09Å; V654-L657 HydrophobicContact CG1-CD2 3.81Å; L657-V659 HydrophobicContact CB-CG1 4.13Å |
| 658 | E | 97.5 | Very high | 89.8 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.5 | 163.8 | -63.4 | 174 | -173.3 | 0 | 0 | 108.1 | T574 T576 Q644 K645 I647 | T574-E658 WeakPolarHBondContact O-CA 3.43Å; T576-E658 HydrophobicContact CG2-CB 3.85Å; T576-E658 HydrophobicContact CG2-CG 4.41Å; Q644-E658 PolarHBondContact N-O 3.39Å; K645-E658 HydrophobicContact CB-CB 4.01Å; K645-E658 HydrophobicContact CB-CG 4.45Å; K645-E658 VanDerWaalsContact CD-OE2 3.29Å; K645-E658 WeakPolarHBondContact CD-OE2 3.38Å; K645-E658 PolarHBondContact N-O 2.93Å; K645-E658 VanDerWaalsContact N-O 3.14Å; K645-E658 IonicContact NZ-OE1 2.72Å; K645-E658 PolarHBondContact O-N 3.08Å; I647-E658 HydrophobicContact CD1-CG 4.09Å |
| 659 | V | 96.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.4 | -174.3 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | V573 T574 I575 T576 I641 S642 L657 | V573-V659 HydrophobicContact CG1-CB 4.21Å; V573-V659 HydrophobicContact CG1-CG1 3.71Å; V573-V659 HydrophobicContact CG1-CG2 3.4Å; T574-V659 PolarHBondContact O-N 3.29Å; I575-V659 WeakPolarHBondContact CA-O 3.26Å; I575-V659 HydrophobicContact CB-CG2 4.45Å; I575-V659 HydrophobicContact CG1-CG2 3.88Å; T576-V659 PolarHBondContact N-O 3.08Å; T576-V659 PolarHBondContact OG1-O 3.07Å; I641-V659 HydrophobicContact CB-CB 4.24Å; I641-V659 HydrophobicContact CB-CG2 4.09Å; I641-V659 HydrophobicContact CG2-CG2 4.14Å; S642-V659 CarbonylContact O-C 3.56Å; S642-V659 WeakPolarHBondContact O-CA 3.44Å; S642-V659 WeakPolarHBondContact O-CB 3.27Å; L657-V659 HydrophobicContact CB-CG1 4.13Å |
| 660 | H | 94.6 | Very high | 88.4 | Confident | 77 Ų | 77 | 74.9 Ų | 74.9 | 36% | 0.356 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137.8 | 163.4 | -167.6 | 61.2 | 0 | 0 | 0 | 109.6 | N577 I641 S642 Q644 | N577-H660 VanDerWaalsContact CG-CE1 3.46Å; N577-H660 VanDerWaalsContact CG-ND1 3.32Å; N577-H660 PolarHBondContact ND2-CE1 2.86Å; N577-H660 PolarHBondContact OD1-ND1 2.93Å; I641-H660 CarbonylContact C-O 3.6Å; I641-H660 VanDerWaalsContact CA-O 3.3Å; I641-H660 WeakPolarHBondContact CA-O 3.04Å; S642-H660 PolarHBondContact N-O 2.99Å; S642-H660 PolarHBondContact O-N 3.17Å; Q644-H660 HydrophobicContact CG-CB 4.06Å |
| 661 | C | 91.9 | Very high | 88.2 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.6 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | I575 N577 V640 I641 | I575-C661 HydrophobicContact CD1-CB 4.33Å; I575-C661 HydrophobicContact CG1-CB 4.43Å; I575-C661 HydrophobicContact CG2-CB 3.34Å; N577-C661 PolarHBondContact ND2-O 3.07Å; N577-C661 PolarHBondContact OD1-N 2.73Å; V640-C661 WeakPolarHBondContact O-CA 3.4Å; I641-C661 HydrophobicContact CG2-CB 4.14Å |
| 662 | C | 90.3 | Very high | 88.2 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 162.6 | 174.1 | 61 | 0 | 0 | 0 | 0 | 111.7 | Y639 V640 | Y639-C662 WeakPolarHBondContact CA-O 3.3Å; V640-C662 PolarHBondContact N-O 2.82Å; V640-C662 PolarHBondContact O-N 3Å |
| 663 | S | 87.8 | Confident | 88.5 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 142.5 | 171.4 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | N665 E666 A667 | S663-N665 PolarHBondContact O-N 3.25Å; S663-E666 PolarHBondContact O-N 2.8Å; S663-A667 PolarHBondContact O-N 2.78Å; S663-A667 VanDerWaalsContact O-N 3.11Å |
| 664 | S | 81.1 | Confident | 88.7 | Confident | 37 Ų | 37 | 66.3 Ų | 66.3 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.3 | 179.5 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | G638 | G638-S664 WeakPolarHBondContact O-CB 3.46Å; G638-S664 PolarHBondContact O-N 2.95Å; G638-S664 PolarHBondContact O-OG 2.95Å |
| 665 | N | 78.7 | Confident | 88.8 | Confident | 157 Ų | 157 | 65.5 Ų | 65.5 | 84% | 0.84 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -20.3 | 176.6 | -66.3 | -21.4 | 0 | 0 | 0 | 113.3 | S663 | S663-N665 PolarHBondContact O-N 3.25Š|
| 666 | E | 79.8 | Confident | 88.9 | Confident | 152 Ų | 152 | 62.4 Ų | 62.4 | 71% | 0.71 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -7 | -177 | -64.5 | 172.4 | 173.6 | 0 | 0 | 112.2 | S663 A668 | S663-E666 PolarHBondContact O-N 2.8Å; E666-A668 PolarHBondContact O-N 3.48Å |
| 667 | A | 75.1 | Confident | 88.9 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | trans | -63.9 | 122.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V640 S663 E669 | V640-A667 HydrophobicContact CB-CB 4.16Å; V640-A667 HydrophobicContact CG1-CB 4.34Å; V640-A667 HydrophobicContact CG2-CB 4.09Å; S663-A667 PolarHBondContact O-N 2.78Å; S663-A667 VanDerWaalsContact O-N 3.11Å; A667-E669 PolarHBondContact O-N 3.42Å | ||
| 668 | A | 72.4 | Confident | 88.9 | Confident | 111 Ų | 111 | 60.7 Ų | 60.7 | 92% | 0.917 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -59.7 | -33 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E666 | E666-A668 PolarHBondContact O-N 3.48Š|
| 669 | E | 76.8 | Confident | 88.8 | Confident | 123 Ų | 123 | 58.2 Ų | 58.2 | 58% | 0.575 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -119.8 | 133 | 173.3 | -67.2 | -169.8 | 171.8 | 0 | 0 | 110.7 | P631 A667 | P631-E669 HydrophobicContact CG-CB 4.33Å; A667-E669 PolarHBondContact O-N 3.42Å |
| 670 | K | 83.3 | Confident | 88.6 | Confident | 195 Ų | 195 | 62.2 Ų | 62.2 | 85% | 0.848 | 33% | 0.33 | S | S | * | . | trans | -68.2 | 129.9 | 174.2 | -73.8 | -175.4 | 177.9 | -179.2 | 0 | 109.8 | ||||
| 671 | P | 89.9 | Confident | 88.6 | Confident | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.156 | 32% | 0.323 | C | S | . | . | trans | -64.6 | 140 | -179.6 | 28.7 | -36.9 | 0 | 0 | 0 | 110.9 | V640 A673 F674 | V640-P671 HydrophobicContact CG1-CB 4.4Å; V640-P671 HydrophobicContact CG2-CB 4.39Å; V640-P671 HydrophobicContact CG2-CG 3.82Å; P671-A673 VanDerWaalsContact C-N 3.32Å; P671-F674 HydrophobicContact CG-CE1 4.28Å; P671-F674 HydrophobicContact CG-CE2 3.95Å; P671-F674 HydrophobicContact CG-CZ 3.68Å | ||
| 672 | K | 91.3 | Very high | 88.6 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -78.7 | -16.5 | 179.2 | -62.2 | -173.4 | -166.3 | 159.7 | 0 | 113.4 | K624 Q630 | K624-K672 HydrophobicContact CB-CB 4.13Å; Q630-K672 VanDerWaalsContact OE1-CD 3.24Å; Q630-K672 VanDerWaalsContact OE1-CE 3.27Å |
| 673 | A | 94.2 | Very high | 88.9 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | trans | -154 | 160.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K624 V632 G633 P671 | K624-A673 HydrophobicContact CB-CB 3.98Å; K624-A673 VanDerWaalsContact O-CB 3.31Å; K624-A673 WeakPolarHBondContact O-CB 3.32Å; V632-A673 WeakPolarHBondContact CG2-O 3.41Å; G633-A673 PolarHBondContact N-O 2.96Å; P671-A673 VanDerWaalsContact C-N 3.32Å | ||
| 674 | F | 95.8 | Very high | 89.2 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.5 | 170.9 | -70.4 | -98.7 | 0 | 0 | 0 | 110.1 | G633 R635 P671 | G633-F674 CarbonylContact O-C 3.59Å; G633-F674 VanDerWaalsContact O-CA 3.25Å; G633-F674 WeakPolarHBondContact O-CA 3.37Å; R635-F674 HydrophobicContact CG-CB 3.83Å; R635-F674 PolarHBondContact NE-O 3.42Å; P671-F674 HydrophobicContact CG-CE1 4.28Å; P671-F674 HydrophobicContact CG-CE2 3.95Å; P671-F674 HydrophobicContact CG-CZ 3.68Å |
| 675 | I | 97.3 | Very high | 90 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 154.8 | -178.6 | 62.4 | 171.5 | 0 | 0 | 0 | 111.1 | I610 D614 R625 V632 G633 L634 R635 | I610-I675 HydrophobicContact CB-CD1 4.12Å; I610-I675 HydrophobicContact CD1-CD1 4.07Å; I610-I675 HydrophobicContact CG2-CD1 3.94Å; D614-I675 HydrophobicContact CB-CD1 4.09Å; D614-I675 HydrophobicContact CB-CG2 4.21Å; R625-I675 HydrophobicContact CB-CG2 4.22Å; R625-I675 HydrophobicContact CG-CG2 3.81Å; V632-I675 HydrophobicContact CG1-CD1 3.67Å; V632-I675 HydrophobicContact CG1-CG1 3.98Å; V632-I675 HydrophobicContact CG2-CB 4.45Å; V632-I675 HydrophobicContact CG2-CD1 4.29Å; V632-I675 HydrophobicContact CG2-CG1 4.04Å; V632-I675 HydrophobicContact CG2-CG2 3.75Å; G633-I675 PolarHBondContact O-N 3.07Å; L634-I675 HydrophobicContact CD2-CD1 4.46Å; L634-I675 HydrophobicContact CD2-CG1 4.1Å; R635-I675 WeakPolarHBondContact CG-O 3.25Å; R635-I675 PolarHBondContact N-O 3.4Å |
| 676 | H | 97.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | trans | -77 | 157.8 | 170.4 | 63.4 | -79.2 | 0 | 0 | 0 | 109.9 | M565 A566 E611 E741 R742 | M565-H676 HydrophobicContact CB-CB 4.4Å; M565-H676 HydrophobicContact CG-CB 4.11Å; M565-H676 HydrophobicContact SD-CB 4.2Å; A566-H676 PolarHBondContact O-CD2 3.46Å; A566-H676 PolarHBondContact O-NE2 3.19Å; E611-H676 WeakPolarHBondContact CG-CE1 3.26Å; E611-H676 VanDerWaalsContact CG-NE2 3.29Å; E611-H676 WeakPolarHBondContact CG-NE2 3.45Å; E611-H676 IonicContact OE1-CE1 3.04Å; E611-H676 IonicContact OE1-NE2 2.9Å; E611-H676 PolarHBondContact OE1-NE2 3.09Å; H676-E741 HydrophobicContact CB-CB 4.35Å; H676-E741 PolarHBondContact ND1-O 3.39Å; H676-R742 PolarHBondContact CE1-NH1 3.1Å; H676-R742 VanDerWaalsContact CE1-NH1 3.26Å; H676-R742 PolarHBondContact ND1-NH1 3.01Å | ||
| 677 | W | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -153.9 | 159.4 | -177.7 | 58.9 | -80.8 | 0 | 0 | 0 | 108.4 | M565 V586 V602 P603 F604 I608 F609 I610 L634 R635 A637 | M565-W677 WeakPolarHBondContact CB-O 3.33Å; M565-W677 HydrophobicContact CE-CD2 4.39Å; M565-W677 HydrophobicContact CE-CZ2 4.08Å; M565-W677 VanDerWaalsContact CE-O 3.3Å; M565-W677 WeakPolarHBondContact CE-O 3.45Å; V586-W677 HydrophobicContact CB-CH2 4.45Å; V586-W677 HydrophobicContact CB-CZ2 4.34Å; V586-W677 HydrophobicContact CG1-CZ2 4.37Å; V586-W677 HydrophobicContact CG2-CH2 4.14Å; V586-W677 HydrophobicContact CG2-CZ2 4.12Å; V602-W677 HydrophobicContact CG1-CH2 4.18Å; V602-W677 HydrophobicContact CG1-CZ3 4.39Å; P603-W677 WeakPolarHBondContact O-CH2 3.38Å; P603-W677 VanDerWaalsContact O-CZ3 3.27Å; P603-W677 WeakPolarHBondContact O-CZ3 3.21Å; F604-W677 HydrophobicContact CB-CH2 3.72Å; F604-W677 HydrophobicContact CB-CZ3 4.12Å; F604-W677 HydrophobicContact CD2-CD2 4.44Å; F604-W677 HydrophobicContact CD2-CE3 4.05Å; F604-W677 AromaticContact CD2-CH2 3.5Å; F604-W677 HydrophobicContact CD2-CH2 3.5Å; F604-W677 AromaticContact CD2-CZ2 3.88Å; F604-W677 HydrophobicContact CD2-CZ2 3.88Å; F604-W677 AromaticContact CD2-CZ3 3.57Å; F604-W677 HydrophobicContact CD2-CZ3 3.57Å; F604-W677 HydrophobicContact CE2-CZ3 4.5Å; F604-W677 HydrophobicContact CG-CH2 4.11Å; F604-W677 HydrophobicContact CG-CZ3 4.32Å; I608-W677 HydrophobicContact CB-CE3 4.29Å; I608-W677 HydrophobicContact CD1-CB 4.39Å; I608-W677 HydrophobicContact CG2-CE3 4.03Å; I608-W677 HydrophobicContact CG2-CZ3 4.43Å; F609-W677 CarbonylContact O-C 3.52Å; F609-W677 VanDerWaalsContact O-CA 3.26Å; F609-W677 WeakPolarHBondContact O-CA 3.41Å; I610-W677 HydrophobicContact CG2-CB 4.04Å; L634-W677 HydrophobicContact CB-CG 4.41Å; L634-W677 HydrophobicContact CD2-CB 4.19Å; L634-W677 HydrophobicContact CD2-CG 4.16Å; R635-W677 PolarHBondContact O-NE1 2.87Å; A637-W677 HydrophobicContact CB-CZ2 3.78Å | ||
| 678 | V | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 147.7 | 172.7 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | M565 V567 I608 F609 P681 L724 D726 | M565-V678 HydrophobicContact CB-CG1 3.98Å; M565-V678 VanDerWaalsContact O-CG1 3.28Å; M565-V678 WeakPolarHBondContact O-CG1 3.29Å; V567-V678 HydrophobicContact CB-CG2 4.29Å; V567-V678 HydrophobicContact CG2-CG1 4.28Å; V567-V678 HydrophobicContact CG2-CG2 3.9Å; I608-V678 CarbonylContact C-O 3.58Å; I608-V678 WeakPolarHBondContact CA-O 3.45Å; F609-V678 HydrophobicContact CB-CG2 3.88Å; F609-V678 PolarHBondContact N-O 3.47Å; F609-V678 PolarHBondContact O-N 2.86Å; V678-P681 HydrophobicContact CB-CB 4.02Å; V678-P681 HydrophobicContact CG2-CB 3.76Å; V678-P681 HydrophobicContact CG2-CG 4.04Å; V678-L724 HydrophobicContact CG2-CB 3.89Å; V678-D726 HydrophobicContact CG1-CB 4.32Å |
| 679 | S | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -138.4 | 146.3 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 108.2 | P603 T605 T607 | P603-S679 VanDerWaalsContact O-CB 3.23Å; P603-S679 WeakPolarHBondContact O-CB 3.47Å; T605-S679 PolarHBondContact N-OG 3.18Å; T605-S679 PolarHBondContact OG1-OG 2.92Å; T607-S679 PolarHBondContact O-OG 3.48Å |
| 680 | E | 93.6 | Very high | 94.6 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 40% | 0.397 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 42.2 | 48.2 | -166.2 | -57.7 | -178.3 | -173.1 | 0 | 0 | 112.7 | R583 P603 T605 | R583-E680 IonicContact CZ-OE2 3.59Å; R583-E680 IonicContact NH1-OE1 3.49Å; R583-E680 PolarHBondContact NH1-OE1 3.41Å; R583-E680 IonicContact NH1-OE2 3.61Å; R583-E680 PolarHBondContact NH1-OE2 2.77Å; R583-E680 IonicContact NH2-OE2 2.74Å; P603-E680 HydrophobicContact CG-CB 4.04Å; P603-E680 HydrophobicContact CG-CG 4.41Å; T605-E680 HydrophobicContact CG2-CG 4.11Å; T605-E680 WeakPolarHBondContact CG2-OE1 3.42Å |
| 681 | P | 94 | Very high | 95 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 20% | 0.201 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 162.1 | -170.1 | 31.1 | -34.9 | 0 | 0 | 0 | 112.5 | F609 V678 L724 V725 | F609-P681 HydrophobicContact CD2-CG 3.93Å; F609-P681 HydrophobicContact CE2-CG 4.12Å; V678-P681 HydrophobicContact CB-CB 4.02Å; V678-P681 HydrophobicContact CG2-CB 3.76Å; V678-P681 HydrophobicContact CG2-CG 4.04Å; P681-L724 HydrophobicContact CB-CB 3.78Å; P681-L724 HydrophobicContact CB-CD2 4.38Å; P681-L724 HydrophobicContact CB-CG 4.46Å; P681-L724 HydrophobicContact CG-CB 3.91Å; P681-L724 HydrophobicContact CG-CD1 3.78Å; P681-L724 HydrophobicContact CG-CD2 3.99Å; P681-L724 HydrophobicContact CG-CG 4.1Å; P681-V725 CarbonylContact C-O 3.27Å; P681-V725 WeakPolarHBondContact CA-O 3.47Å; P681-V725 WeakPolarHBondContact CB-O 3.26Å |
| 682 | Q | 92.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 37 Ų | 37 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.2 | 164.4 | -63 | -167 | -45.1 | 0 | 0 | 110.3 | L724 V725 S730 | Q682-L724 WeakPolarHBondContact O-CA 3.45Å; Q682-V725 HydrophobicContact CB-CG1 4.14Å; Q682-V725 PolarHBondContact N-O 2.88Å; Q682-V725 PolarHBondContact O-N 3.48Å; Q682-S730 VanDerWaalsContact OE1-CA 3.3Å; Q682-S730 VanDerWaalsContact OE1-CB 3.23Å |
| 683 | K | 95.3 | Very high | 95.5 | Very high | 145 Ų | 145 | 30.9 Ų | 30.9 | 63% | 0.63 | 14% | 0.144 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 136.5 | 174.7 | -171.3 | 176.7 | 178.1 | -178.7 | 0 | 110 | D721 A723 L724 | K683-D721 WeakPolarHBondContact CE-O 3.34Å; K683-A723 WeakPolarHBondContact CA-O 3.22Å; K683-L724 HydrophobicContact CB-CD2 4.41Å |
| 684 | C | 95.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.8 | 177 | 62 | 0 | 0 | 0 | 0 | 112.2 | A723 V725 L757 F759 | C684-A723 PolarHBondContact N-O 2.97Å; C684-A723 PolarHBondContact O-N 2.88Å; C684-V725 HydrophobicContact CB-CG1 4.28Å; C684-L757 WeakPolarHBondContact CA-O 3.47Å; C684-L757 HydrophobicContact CB-CB 3.93Å; C684-L757 WeakPolarHBondContact CB-O 3.41Å; C684-F759 HydrophobicContact CB-CD2 4.07Å; C684-F759 HydrophobicContact CB-CE2 4.16Å |
| 685 | E | 97.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.7 | 167.5 | -179.4 | -177.4 | 127.7 | 0 | 0 | 108.4 | R687 V719 I720 K756 L757 V758 F759 | E685-R687 IonicContact OE1-CZ 2.76Å; E685-R687 VanDerWaalsContact OE1-CZ 3.28Å; E685-R687 IonicContact OE1-NE 2.86Å; E685-R687 PolarHBondContact OE1-NE 3.48Å; E685-R687 IonicContact OE1-NH2 2.65Å; E685-R687 PolarHBondContact OE1-NH2 2.63Å; E685-V719 HydrophobicContact CG-CG1 3.73Å; E685-I720 WeakPolarHBondContact CA-O 3.36Å; E685-K756 WeakPolarHBondContact OE2-CE 3.36Å; E685-K756 IonicContact OE2-NZ 3.88Å; E685-K756 PolarHBondContact OE2-NZ 3.48Å; E685-L757 PolarHBondContact N-O 3.24Å; E685-V758 HydrophobicContact CB-CG1 4.36Å; E685-V758 HydrophobicContact CB-CG2 4.23Å; E685-V758 HydrophobicContact CG-CG1 4.4Å; E685-V758 CarbonylContact O-C 3.51Å; E685-V758 WeakPolarHBondContact O-CA 3.25Å; E685-F759 PolarHBondContact O-N 2.91Å |
| 686 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.3 | 173.9 | -66.3 | -178.2 | 0 | 0 | 0 | 109.5 | L568 L688 I720 A723 F740 F746 F759 | L568-I686 HydrophobicContact CD1-CD1 3.44Å; L568-I686 VanDerWaalsContact CD1-CD1 3.44Å; L568-I686 HydrophobicContact CD2-CG2 4.48Å; L568-I686 HydrophobicContact CG-CD1 3.75Å; L568-I686 HydrophobicContact CG-CG2 4.4Å; I686-L688 HydrophobicContact CG2-CD2 3.63Å; I686-L688 HydrophobicContact CG2-CG 4.26Å; I686-I720 HydrophobicContact CB-CB 4.39Å; I686-I720 PolarHBondContact N-O 3.47Å; I686-I720 PolarHBondContact O-N 2.93Å; I686-A723 HydrophobicContact CB-CB 4.29Å; I686-A723 HydrophobicContact CD1-CB 3.46Å; I686-A723 VanDerWaalsContact CD1-CB 3.46Å; I686-A723 HydrophobicContact CG1-CB 3.69Å; I686-F740 HydrophobicContact CD1-CD2 4.39Å; I686-F740 HydrophobicContact CD1-CE2 3.97Å; I686-F746 HydrophobicContact CG2-CD1 4.18Å; I686-F746 HydrophobicContact CG2-CE1 3.56Å; I686-F746 HydrophobicContact CG2-CZ 4.48Å; I686-F759 CarbonylContact C-O 3.47Å; I686-F759 WeakPolarHBondContact CA-O 3.27Å; I686-F759 HydrophobicContact CG1-CB 4.33Å |
| 687 | R | 98 | Very high | 94.9 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 112.5 | 176.6 | -60.3 | 178 | -175.6 | 163.7 | -0.2 | 109.7 | E685 Y689 L717 D749 D751 V758 F759 N760 R761 | E685-R687 IonicContact OE1-CZ 2.76Å; E685-R687 VanDerWaalsContact OE1-CZ 3.28Å; E685-R687 IonicContact OE1-NE 2.86Å; E685-R687 PolarHBondContact OE1-NE 3.48Å; E685-R687 IonicContact OE1-NH2 2.65Å; E685-R687 PolarHBondContact OE1-NH2 2.63Å; R687-Y689 HydrophobicContact CB-CE2 3.68Å; R687-Y689 VanDerWaalsContact CD-OH 3.31Å; R687-Y689 WeakPolarHBondContact CD-OH 3.39Å; R687-L717 HydrophobicContact CB-CD1 4.03Å; R687-D749 IonicContact NH1-OD1 2.89Å; R687-D749 PolarHBondContact NH1-OD1 3.31Å; R687-D749 IonicContact NH1-OD2 3.33Å; R687-D751 IonicContact CZ-OD2 3.63Å; R687-D751 VanDerWaalsContact CZ-OD2 3.24Å; R687-D751 IonicContact NH1-OD2 2.82Å; R687-D751 PolarHBondContact NH1-OD2 3.3Å; R687-D751 IonicContact NH2-OD2 3.8Å; R687-D751 PolarHBondContact NH2-OD2 3.44Å; R687-V758 VanDerWaalsContact CZ-CG1 3.48Å; R687-F759 PolarHBondContact N-O 3.13Å; R687-N760 WeakPolarHBondContact CD-OD1 3.41Å; R687-R761 PolarHBondContact O-N 2.76Å |
| 688 | L | 97 | Very high | 94.7 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.089 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.1 | 176.6 | -54.1 | -176.2 | 0 | 0 | 0 | 109.2 | L568 I686 L717 Q718 I720 F746 R761 | L568-L688 HydrophobicContact CD2-CD1 4.27Å; L568-L688 HydrophobicContact CD2-CD2 4.1Å; I686-L688 HydrophobicContact CG2-CD2 3.63Å; I686-L688 HydrophobicContact CG2-CG 4.26Å; L688-L717 WeakPolarHBondContact O-CA 3.25Å; L688-Q718 HydrophobicContact CB-CB 4.29Å; L688-Q718 PolarHBondContact N-O 2.91Å; L688-Q718 PolarHBondContact O-N 3.45Å; L688-I720 HydrophobicContact CD1-CD1 3.64Å; L688-I720 HydrophobicContact CG-CD1 4.17Å; L688-F746 HydrophobicContact CD2-CE1 4.01Å; L688-F746 HydrophobicContact CD2-CZ 4.31Å; L688-R761 HydrophobicContact CD2-CB 3.93Å; L688-R761 HydrophobicContact CD2-CG 4.47Å |
| 689 | Y | 94.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.7 | 180 | -61.5 | -76.8 | 0 | 0 | 0 | 111.7 | P510 R511 R687 S716 L717 N760 R761 | P510-Y689 HydrophobicContact CB-CD1 4.18Å; P510-Y689 HydrophobicContact CB-CD2 3.86Å; P510-Y689 HydrophobicContact CB-CE1 3.9Å; P510-Y689 HydrophobicContact CB-CE2 3.63Å; P510-Y689 HydrophobicContact CB-CG 4.12Å; P510-Y689 HydrophobicContact CG-CD2 4.49Å; P510-Y689 HydrophobicContact CG-CE1 4.13Å; P510-Y689 HydrophobicContact CG-CE2 3.77Å; P510-Y689 WeakPolarHBondContact CG-OH 3.5Å; R511-Y689 HydrophobicContact CG-CD1 3.48Å; R511-Y689 VanDerWaalsContact CG-CD1 3.48Å; R511-Y689 HydrophobicContact CG-CE1 4.19Å; R511-Y689 HydrophobicContact CG-CG 4.28Å; R687-Y689 HydrophobicContact CB-CE2 3.68Å; R687-Y689 VanDerWaalsContact CD-OH 3.31Å; R687-Y689 WeakPolarHBondContact CD-OH 3.39Å; Y689-S716 WeakPolarHBondContact CA-O 3.37Å; Y689-L717 HydrophobicContact CD1-CD1 3.85Å; Y689-L717 HydrophobicContact CE1-CD1 3.61Å; Y689-L717 HydrophobicContact CE1-CG 4.5Å; Y689-N760 HydrophobicContact CD2-CB 4.47Å; Y689-N760 HydrophobicContact CE2-CB 3.78Å; Y689-N760 PolarHBondContact OH-OD1 3.1Å; Y689-R761 PolarHBondContact O-NH2 3.41Å |
| 690 | E | 91.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | trans | -119.2 | 177.1 | 169.9 | -63.7 | -72.5 | 156.1 | 0 | 0 | 109.6 | L692 S716 R761 K771 | E690-L692 PolarHBondContact O-N 3.34Å; E690-S716 PolarHBondContact N-O 3.42Å; E690-R761 IonicContact OE1-CZ 3.59Å; E690-R761 IonicContact OE1-NH1 2.65Å; E690-R761 IonicContact OE1-NH2 3.28Å; E690-R761 PolarHBondContact OE1-NH2 3.05Å; E690-K771 IonicContact OE1-NZ 3.62Å; E690-K771 PolarHBondContact OE1-NZ 2.82Å; E690-K771 IonicContact OE2-NZ 3.92Å; E690-K771 PolarHBondContact OE2-NZ 3.12Å | ||
| 691 | R | 92.9 | Very high | 94 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 32% | 0.317 | 24% | 0.238 | S | C | . | . | trans | -56.2 | 134.4 | 177.7 | -63.3 | -178.6 | -174.1 | 164.2 | 5.3 | 110.4 | N713 K771 | R691-N713 VanDerWaalsContact O-CB 3.31Å; R691-N713 WeakPolarHBondContact O-CB 3.34Å; R691-N713 PolarHBondContact O-ND2 2.82Å; R691-K771 PolarHBondContact NH1-O 2.98Å; R691-K771 PolarHBondContact NH2-O 2.94Å; R691-K771 VanDerWaalsContact NH2-O 3.09Å | ||
| 692 | L | 95.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -69.6 | -38.6 | 179.7 | -175.7 | 57.5 | 0 | 0 | 0 | 112.4 | L498 T503 V504 R511 L512 E690 I712 N713 | L498-L692 HydrophobicContact CD1-CD2 4.2Å; T503-L692 HydrophobicContact CG2-CD1 4.2Å; V504-L692 HydrophobicContact CG1-CD1 4.14Å; V504-L692 HydrophobicContact CG1-CD2 3.94Å; R511-L692 HydrophobicContact CB-CB 4.19Å; R511-L692 HydrophobicContact CB-CD1 4.41Å; L512-L692 HydrophobicContact CD2-CD2 3.97Å; E690-L692 PolarHBondContact O-N 3.34Å; L692-I712 HydrophobicContact CD1-CD1 4.3Å; L692-I712 HydrophobicContact CD1-CG2 4.44Å; L692-I712 HydrophobicContact CG-CD1 4.19Å; L692-N713 WeakPolarHBondContact O-CB 3.38Å; L692-N713 PolarHBondContact O-N 3.29Å |
| 693 | F | 95.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 144.5 | -178.5 | -65.5 | -76.3 | 0 | 0 | 0 | 110.6 | Y487 V489 L498 P698 F708 D711 I712 | Y487-F693 WeakPolarHBondContact O-CD2 3.35Å; V489-F693 HydrophobicContact CB-CE2 4.42Å; V489-F693 HydrophobicContact CB-CZ 4.39Å; V489-F693 HydrophobicContact CG1-CE2 4Å; V489-F693 HydrophobicContact CG1-CZ 3.79Å; V489-F693 HydrophobicContact CG2-CE2 3.92Å; V489-F693 HydrophobicContact CG2-CZ 3.76Å; L498-F693 HydrophobicContact CD1-CZ 4.25Å; F693-P698 HydrophobicContact CB-CB 4Å; F693-P698 HydrophobicContact CB-CG 4.2Å; F693-P698 HydrophobicContact CD1-CB 3.47Å; F693-P698 VanDerWaalsContact CD1-CB 3.47Å; F693-P698 HydrophobicContact CD1-CG 4.09Å; F693-P698 HydrophobicContact CD2-CB 4.33Å; F693-P698 HydrophobicContact CD2-CG 4.03Å; F693-P698 HydrophobicContact CE1-CB 3.99Å; F693-P698 HydrophobicContact CE1-CG 4.49Å; F693-P698 HydrophobicContact CE2-CG 4.44Å; F693-P698 HydrophobicContact CG-CB 3.66Å; F693-P698 HydrophobicContact CG-CG 3.83Å; F693-F708 HydrophobicContact CE1-CB 4.39Å; F693-F708 HydrophobicContact CE1-CD2 4.1Å; F693-F708 WeakPolarHBondContact CE1-O 3.31Å; F693-F708 HydrophobicContact CZ-CD2 4.18Å; F693-D711 WeakPolarHBondContact CA-O 3.23Å; F693-D711 HydrophobicContact CD1-CB 4.12Å; F693-I712 HydrophobicContact CD1-CD1 3.94Å; F693-I712 HydrophobicContact CE1-CD1 3.46Å; F693-I712 VanDerWaalsContact CE1-CD1 3.46Å; F693-I712 HydrophobicContact CZ-CD1 4.02Å |
| 694 | L | 93 | Very high | 93.8 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -77.8 | -38.8 | 177.9 | -60.5 | 166.5 | 0 | 0 | 0 | 111.2 | D711 N713 | L694-D711 WeakPolarHBondContact CB-OD1 3.47Å; L694-D711 PolarHBondContact N-O 2.94Å; L694-D711 PolarHBondContact N-OD2 3.02Å; L694-N713 HydrophobicContact CD2-CB 3.74Å; L694-N713 HydrophobicContact CG-CB 4.14Å |
| 695 | H | 94.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 38% | 0.375 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -95.6 | 156.7 | -176.6 | -66 | 86.2 | 0 | 0 | 0 | 113 | Y487 N697 V704 D711 | Y487-H695 WeakPolarHBondContact CD1-O 3.44Å; Y487-H695 VanDerWaalsContact CE1-C 3.5Å; H695-N697 VanDerWaalsContact C-N 3.34Å; H695-V704 HydrophobicContact CB-CG2 4.23Å; H695-D711 WeakPolarHBondContact CB-OD2 3.4Å; H695-D711 IonicContact CE1-OD1 3.71Å; H695-D711 IonicContact CG-OD1 2.96Å; H695-D711 PolarHBondContact N-OD1 2.77Å; H695-D711 PolarHBondContact N-OD2 3.18Å; H695-D711 IonicContact ND1-OD1 2.69Å; H695-D711 PolarHBondContact ND1-OD1 3.03Å; H695-D711 IonicContact ND1-OD2 3.58Å |
| 696 | K | 92.4 | Very high | 93.1 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -66.5 | -39.1 | -178.6 | -172.3 | 171.4 | 177.9 | 163.2 | 0 | 111 | T486 Y487 E545 P698 | T486-K696 WeakPolarHBondContact CB-O 3.35Å; T486-K696 HydrophobicContact CG2-CD 4.22Å; T486-K696 HydrophobicContact CG2-CG 3.57Å; Y487-K696 HydrophobicContact CE1-CB 4.2Å; Y487-K696 HydrophobicContact CE2-CB 4.15Å; Y487-K696 HydrophobicContact CE2-CG 3.96Å; Y487-K696 PolarHBondContact N-O 3.31Å; E545-K696 WeakPolarHBondContact OE1-CE 3.46Å; E545-K696 IonicContact OE1-NZ 3.61Å; E545-K696 PolarHBondContact OE1-NZ 2.9Å; K696-P698 WeakPolarHBondContact O-CD 3.29Å |
| 697 | N | 92.4 | Very high | 92.7 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | trans | -120 | 79.9 | 179.6 | -55.1 | -60.6 | 0 | 0 | 0 | 110.3 | H695 E699 D700 E703 | H695-N697 VanDerWaalsContact C-N 3.34Å; N697-E699 PolarHBondContact O-N 3.32Å; N697-D700 HydrophobicContact CB-CB 3.9Å; N697-D700 WeakPolarHBondContact O-CB 3.47Å; N697-D700 PolarHBondContact O-N 3.32Å; N697-E703 PolarHBondContact N-OE2 3.44Å; N697-E703 PolarHBondContact ND2-OE1 3.34Å | ||
| 698 | P | 92.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.6 | -175.1 | 26.9 | -36.1 | 0 | 0 | 0 | 113.7 | V489 F693 K696 F708 | V489-P698 HydrophobicContact CG1-CG 4.03Å; F693-P698 HydrophobicContact CB-CB 4Å; F693-P698 HydrophobicContact CB-CG 4.2Å; F693-P698 HydrophobicContact CD1-CB 3.47Å; F693-P698 VanDerWaalsContact CD1-CB 3.47Å; F693-P698 HydrophobicContact CD1-CG 4.09Å; F693-P698 HydrophobicContact CD2-CB 4.33Å; F693-P698 HydrophobicContact CD2-CG 4.03Å; F693-P698 HydrophobicContact CE1-CB 3.99Å; F693-P698 HydrophobicContact CE1-CG 4.49Å; F693-P698 HydrophobicContact CE2-CG 4.44Å; F693-P698 HydrophobicContact CG-CB 3.66Å; F693-P698 HydrophobicContact CG-CG 3.83Å; K696-P698 WeakPolarHBondContact O-CD 3.29Å; P698-F708 HydrophobicContact CB-CB 4.38Å; P698-F708 WeakPolarHBondContact O-CA 3.45Å; P698-F708 WeakPolarHBondContact O-CB 3.49Å |
| 699 | E | 90.1 | Very high | 92.3 | Very high | 93 Ų | 93 | 56.8 Ų | 56.8 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -11.3 | 178.1 | -57.6 | -173.5 | 57.9 | 0 | 0 | 113.5 | V489 K494 N697 P701 | V489-E699 HydrophobicContact CG1-CG 3.81Å; K494-E699 VanDerWaalsContact NZ-CD 3.25Å; K494-E699 IonicContact NZ-OE1 2.65Å; K494-E699 PolarHBondContact NZ-OE1 2.9Å; N697-E699 PolarHBondContact O-N 3.32Å; E699-P701 VanDerWaalsContact O-CD 3.3Å; E699-P701 WeakPolarHBondContact O-CD 3.43Å |
| 700 | D | 91.3 | Very high | 92.3 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | trans | -79 | 116.1 | -177.5 | -168.2 | -31.1 | 0 | 0 | 0 | 110.1 | N697 S702 E703 V704 | N697-D700 HydrophobicContact CB-CB 3.9Å; N697-D700 WeakPolarHBondContact O-CB 3.47Å; N697-D700 PolarHBondContact O-N 3.32Å; D700-S702 PolarHBondContact O-N 2.76Å; D700-S702 VanDerWaalsContact O-N 3.15Å; D700-S702 VanDerWaalsContact OD1-CB 3.29Å; D700-S702 WeakPolarHBondContact OD1-CB 3.32Å; D700-S702 PolarHBondContact OD1-N 3.48Å; D700-S702 PolarHBondContact OD1-OG 3.36Å; D700-S702 PolarHBondContact OD2-OG 3.06Å; D700-E703 HydrophobicContact CB-CB 4.35Å; D700-E703 HydrophobicContact CB-CG 4.44Å; D700-E703 PolarHBondContact O-N 2.97Å; D700-E703 VanDerWaalsContact O-N 3.17Å; D700-V704 PolarHBondContact O-N 3.32Å | ||
| 701 | P | 90.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 57.2 Ų | 57.2 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.2 | 178.9 | -20.6 | 33.7 | 0 | 0 | 0 | 114 | E699 P705 | E699-P701 VanDerWaalsContact O-CD 3.3Å; E699-P701 WeakPolarHBondContact O-CD 3.43Å; P701-P705 WeakPolarHBondContact O-CA 3.47Å |
| 702 | S | 92.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 55 Ų | 55 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -35.1 | 175.9 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | D700 | D700-S702 PolarHBondContact O-N 2.76Å; D700-S702 VanDerWaalsContact O-N 3.15Å; D700-S702 VanDerWaalsContact OD1-CB 3.29Å; D700-S702 WeakPolarHBondContact OD1-CB 3.32Å; D700-S702 PolarHBondContact OD1-N 3.48Å; D700-S702 PolarHBondContact OD1-OG 3.36Å; D700-S702 PolarHBondContact OD2-OG 3.06Å |
| 703 | E | 91.7 | Very high | 92.6 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -39.5 | 172.6 | -68.4 | -173.7 | -150.1 | 0 | 0 | 111.1 | N697 D700 P705 | N697-E703 PolarHBondContact N-OE2 3.44Å; N697-E703 PolarHBondContact ND2-OE1 3.34Å; D700-E703 HydrophobicContact CB-CB 4.35Å; D700-E703 HydrophobicContact CB-CG 4.44Å; D700-E703 PolarHBondContact O-N 2.97Å; D700-E703 VanDerWaalsContact O-N 3.17Å; E703-P705 WeakPolarHBondContact O-CD 3.48Å |
| 704 | V | 93 | Very high | 92.5 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | trans | -127.9 | 81 | -174.6 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | H695 D700 G706 G707 S710 D711 | H695-V704 HydrophobicContact CB-CG2 4.23Å; D700-V704 PolarHBondContact O-N 3.32Å; V704-G706 PolarHBondContact O-N 3.21Å; V704-G707 WeakPolarHBondContact CG1-O 3.27Å; V704-G707 PolarHBondContact O-N 2.84Å; V704-S710 WeakPolarHBondContact CG1-OG 3.45Å; V704-D711 HydrophobicContact CG1-CB 3.82Å; V704-D711 HydrophobicContact CG2-CB 3.94Å | ||
| 705 | P | 89.8 | Confident | 92.5 | Very high | 116 Ų | 116 | 62 Ų | 62 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.8 | -177.9 | -23.9 | 33.7 | 0 | 0 | 0 | 114.2 | P701 E703 G707 | P701-P705 WeakPolarHBondContact O-CA 3.47Å; E703-P705 WeakPolarHBondContact O-CD 3.48Å; P705-G707 PolarHBondContact O-N 3.46Å |
| 706 | G | 89 | Confident | 92.5 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V704 S710 | V704-G706 PolarHBondContact O-N 3.21Å; G706-S710 WeakPolarHBondContact CA-OG 3.2Å |
| 707 | G | 90.9 | Very high | 92.7 | Very high | 33 Ų | 33 | 56.7 Ų | 56.7 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | trans | 78.5 | 163.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V704 P705 L709 S710 | V704-G707 WeakPolarHBondContact CG1-O 3.27Å; V704-G707 PolarHBondContact O-N 2.84Å; P705-G707 PolarHBondContact O-N 3.46Å; G707-L709 PolarHBondContact O-N 2.66Å; G707-S710 PolarHBondContact O-N 3.38Å; G707-S710 PolarHBondContact O-OG 3.03Å | ||
| 708 | F | 92.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -54 | -26 | -168.4 | 77.3 | -81 | 0 | 0 | 0 | 116.2 | V489 K494 K497 L498 F693 P698 S710 D711 | V489-F708 HydrophobicContact CG1-CD2 4.24Å; K494-F708 HydrophobicContact CB-CE1 4.49Å; K494-F708 HydrophobicContact CB-CE2 4.09Å; K494-F708 HydrophobicContact CB-CZ 3.87Å; K494-F708 HydrophobicContact CD-CD1 4.26Å; K494-F708 HydrophobicContact CD-CE1 4.06Å; K494-F708 HydrophobicContact CD-CZ 4.23Å; K494-F708 HydrophobicContact CG-CE1 4Å; K494-F708 HydrophobicContact CG-CE2 4.45Å; K494-F708 HydrophobicContact CG-CZ 3.87Å; K497-F708 HydrophobicContact CD-CZ 4.27Å; L498-F708 HydrophobicContact CD2-CE2 4.03Å; L498-F708 HydrophobicContact CG-CE2 4.14Å; F693-F708 HydrophobicContact CE1-CB 4.39Å; F693-F708 HydrophobicContact CE1-CD2 4.1Å; F693-F708 WeakPolarHBondContact CE1-O 3.31Å; F693-F708 HydrophobicContact CZ-CD2 4.18Å; P698-F708 HydrophobicContact CB-CB 4.38Å; P698-F708 WeakPolarHBondContact O-CA 3.45Å; P698-F708 WeakPolarHBondContact O-CB 3.49Å; F708-S710 VanDerWaalsContact C-N 3.32Å; F708-S710 PolarHBondContact O-N 2.92Å; F708-D711 PolarHBondContact O-N 3.33Å |
| 709 | L | 93.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -71.2 | -24.2 | 177.6 | -68.9 | 178 | 0 | 0 | 0 | 113.6 | K497 L498 E501 G707 D711 I712 | K497-L709 HydrophobicContact CD-CD1 3.82Å; K497-L709 VanDerWaalsContact CE-CD1 3.44Å; K497-L709 HydrophobicContact CG-CD1 4.3Å; K497-L709 VanDerWaalsContact NZ-CD1 3.31Å; L498-L709 HydrophobicContact CD2-CD2 3.62Å; E501-L709 HydrophobicContact CG-CD1 4.38Å; G707-L709 PolarHBondContact O-N 2.66Å; L709-D711 PolarHBondContact O-N 3.1Å; L709-I712 WeakPolarHBondContact O-CG1 3.31Å |
| 710 | S | 94.2 | Very high | 93.4 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -77.1 | -8.3 | 174.1 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | V704 G706 G707 F708 | V704-S710 WeakPolarHBondContact CG1-OG 3.45Å; G706-S710 WeakPolarHBondContact CA-OG 3.2Å; G707-S710 PolarHBondContact O-N 3.38Å; G707-S710 PolarHBondContact O-OG 3.03Å; F708-S710 VanDerWaalsContact C-N 3.32Å; F708-S710 PolarHBondContact O-N 2.92Å |
| 711 | D | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -97.6 | 10.4 | -175.4 | -165.3 | 40.7 | 0 | 0 | 0 | 114.2 | F693 L694 H695 V704 F708 L709 N713 | F693-D711 WeakPolarHBondContact CA-O 3.23Å; F693-D711 HydrophobicContact CD1-CB 4.12Å; L694-D711 WeakPolarHBondContact CB-OD1 3.47Å; L694-D711 PolarHBondContact N-O 2.94Å; L694-D711 PolarHBondContact N-OD2 3.02Å; H695-D711 WeakPolarHBondContact CB-OD2 3.4Å; H695-D711 IonicContact CE1-OD1 3.71Å; H695-D711 IonicContact CG-OD1 2.96Å; H695-D711 PolarHBondContact N-OD1 2.77Å; H695-D711 PolarHBondContact N-OD2 3.18Å; H695-D711 IonicContact ND1-OD1 2.69Å; H695-D711 PolarHBondContact ND1-OD1 3.03Å; H695-D711 IonicContact ND1-OD2 3.58Å; V704-D711 HydrophobicContact CG1-CB 3.82Å; V704-D711 HydrophobicContact CG2-CB 3.94Å; F708-D711 PolarHBondContact O-N 3.33Å; L709-D711 PolarHBondContact O-N 3.1Å; D711-N713 PolarHBondContact O-N 2.85Å |
| 712 | I | 95.7 | Very high | 93.5 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 129.7 | -178 | -60.6 | -59.5 | 0 | 0 | 0 | 110.5 | L498 T503 L692 F693 L709 P714 | L498-I712 HydrophobicContact CD2-CD1 3.83Å; T503-I712 HydrophobicContact CG2-CB 4.41Å; T503-I712 HydrophobicContact CG2-CD1 3.77Å; T503-I712 HydrophobicContact CG2-CG1 3.89Å; T503-I712 HydrophobicContact CG2-CG2 3.65Å; L692-I712 HydrophobicContact CD1-CD1 4.3Å; L692-I712 HydrophobicContact CD1-CG2 4.44Å; L692-I712 HydrophobicContact CG-CD1 4.19Å; F693-I712 HydrophobicContact CD1-CD1 3.94Å; F693-I712 HydrophobicContact CE1-CD1 3.46Å; F693-I712 VanDerWaalsContact CE1-CD1 3.46Å; F693-I712 HydrophobicContact CZ-CD1 4.02Å; L709-I712 WeakPolarHBondContact O-CG1 3.31Å; I712-P714 WeakPolarHBondContact O-CD 3.3Å |
| 713 | N | 94.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -77 | 115.8 | 173.3 | 178 | 10.4 | 0 | 0 | 0 | 110.4 | R691 L692 L694 D711 N715 S716 | R691-N713 VanDerWaalsContact O-CB 3.31Å; R691-N713 WeakPolarHBondContact O-CB 3.34Å; R691-N713 PolarHBondContact O-ND2 2.82Å; L692-N713 WeakPolarHBondContact O-CB 3.38Å; L692-N713 PolarHBondContact O-N 3.29Å; L694-N713 HydrophobicContact CD2-CB 3.74Å; L694-N713 HydrophobicContact CG-CB 4.14Å; D711-N713 PolarHBondContact O-N 2.85Å; N713-N715 PolarHBondContact O-N 3.08Å; N713-N715 PolarHBondContact OD1-N 3.05Å; N713-S716 WeakPolarHBondContact O-CB 3.26Å; N713-S716 PolarHBondContact O-N 3.27Å; N713-S716 VanDerWaalsContact O-N 3.14Å; N713-S716 PolarHBondContact O-OG 3.33Å | ||
| 714 | P | 93.1 | Very high | 94 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 69% | 0.688 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.2 | 179.6 | 28.3 | -35.2 | 0 | 0 | 0 | 112.5 | I712 S716 | I712-P714 WeakPolarHBondContact O-CD 3.3Å; P714-S716 VanDerWaalsContact C-N 3.29Å; P714-S716 PolarHBondContact O-N 3.32Å |
| 715 | N | 93 | Very high | 94.1 | Very high | 122 Ų | 122 | 50.5 Ų | 50.5 | 65% | 0.652 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 18 | 178.3 | -58.4 | -45.7 | 0 | 0 | 0 | 112.4 | N713 L717 | N713-N715 PolarHBondContact O-N 3.08Å; N713-N715 PolarHBondContact OD1-N 3.05Å; N715-L717 PolarHBondContact O-N 3.45Å |
| 716 | S | 93.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -68.7 | -19.5 | -176.8 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | R511 Y689 E690 N713 P714 | R511-S716 WeakPolarHBondContact CD-O 3.42Å; R511-S716 PolarHBondContact NH1-OG 3.25Å; Y689-S716 WeakPolarHBondContact CA-O 3.37Å; E690-S716 PolarHBondContact N-O 3.42Å; N713-S716 WeakPolarHBondContact O-CB 3.26Å; N713-S716 PolarHBondContact O-N 3.27Å; N713-S716 VanDerWaalsContact O-N 3.14Å; N713-S716 PolarHBondContact O-OG 3.33Å; P714-S716 VanDerWaalsContact C-N 3.29Å; P714-S716 PolarHBondContact O-N 3.32Å |
| 717 | L | 96.3 | Very high | 94.5 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 124.9 | 176.2 | 171.7 | 59.4 | 0 | 0 | 0 | 110.4 | R687 L688 Y689 N715 V719 | R687-L717 HydrophobicContact CB-CD1 4.03Å; L688-L717 WeakPolarHBondContact O-CA 3.25Å; Y689-L717 HydrophobicContact CD1-CD1 3.85Å; Y689-L717 HydrophobicContact CE1-CD1 3.61Å; Y689-L717 HydrophobicContact CE1-CG 4.5Å; N715-L717 PolarHBondContact O-N 3.45Å; L717-V719 HydrophobicContact CD1-CG2 4.07Å; L717-V719 HydrophobicContact CD2-CG2 4.26Å; L717-V719 HydrophobicContact CG-CG2 4.06Å |
| 718 | Q | 96.4 | Very high | 94.4 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.5 | 167 | -179.4 | -176.9 | 0.3 | 0 | 0 | 109.1 | L688 | L688-Q718 HydrophobicContact CB-CB 4.29Å; L688-Q718 PolarHBondContact N-O 2.91Å; L688-Q718 PolarHBondContact O-N 3.45Å |
| 719 | V | 97 | Very high | 94.3 | Very high | 59 Ų | 59 | 44 Ų | 44 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.1 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | E685 L717 | E685-V719 HydrophobicContact CG-CG1 3.73Å; L717-V719 HydrophobicContact CD1-CG2 4.07Å; L717-V719 HydrophobicContact CD2-CG2 4.26Å; L717-V719 HydrophobicContact CG-CG2 4.06Å |
| 720 | I | 96.4 | Very high | 94 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 104.3 | 178.8 | -57.9 | 178.7 | 0 | 0 | 0 | 108.1 | L568 E685 I686 L688 A723 | L568-I720 HydrophobicContact CB-CD1 4.08Å; L568-I720 HydrophobicContact CD2-CD1 4.1Å; L568-I720 HydrophobicContact CG-CD1 4.2Å; L568-I720 VanDerWaalsContact O-CG2 3.25Å; L568-I720 WeakPolarHBondContact O-CG2 3.49Å; E685-I720 WeakPolarHBondContact CA-O 3.36Å; I686-I720 HydrophobicContact CB-CB 4.39Å; I686-I720 PolarHBondContact N-O 3.47Å; I686-I720 PolarHBondContact O-N 2.93Å; L688-I720 HydrophobicContact CD1-CD1 3.64Å; L688-I720 HydrophobicContact CG-CD1 4.17Å; I720-A723 HydrophobicContact CG2-CB 4.14Å |
| 721 | D | 94.3 | Very high | 93.6 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -12 | -177.8 | -61.8 | -50.1 | 0 | 0 | 0 | 113.8 | K683 | K683-D721 WeakPolarHBondContact CE-O 3.34Å |
| 722 | S | 90.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 50 Ų | 50 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 4 | -175 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | P570 | P570-S722 WeakPolarHBondContact CG-O 3.48Å |
| 723 | A | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 148.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V567 K683 C684 I686 I720 | V567-A723 WeakPolarHBondContact O-CA 3.48Å; K683-A723 WeakPolarHBondContact CA-O 3.22Å; C684-A723 PolarHBondContact N-O 2.97Å; C684-A723 PolarHBondContact O-N 2.88Å; I686-A723 HydrophobicContact CB-CB 4.29Å; I686-A723 HydrophobicContact CD1-CB 3.46Å; I686-A723 VanDerWaalsContact CD1-CB 3.46Å; I686-A723 HydrophobicContact CG1-CB 3.69Å; I720-A723 HydrophobicContact CG2-CB 4.14Å |
| 724 | L | 97 | Very high | 93.4 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.3 | -178 | -63.1 | -178.7 | 0 | 0 | 0 | 108.9 | A566 V567 P570 F609 V678 P681 Q682 K683 | A566-L724 CarbonylContact C-O 3.59Å; A566-L724 VanDerWaalsContact CA-O 3.31Å; A566-L724 WeakPolarHBondContact CA-O 3.44Å; V567-L724 PolarHBondContact N-O 3.05Å; V567-L724 PolarHBondContact O-N 2.98Å; P570-L724 HydrophobicContact CB-CD1 3.5Å; P570-L724 VanDerWaalsContact CB-CD1 3.5Å; P570-L724 HydrophobicContact CB-CG 4.04Å; P570-L724 HydrophobicContact CG-CD1 3.97Å; P570-L724 HydrophobicContact CG-CG 4.14Å; F609-L724 HydrophobicContact CB-CD1 3.94Å; F609-L724 HydrophobicContact CD1-CD1 3.7Å; F609-L724 HydrophobicContact CD2-CD1 3.84Å; F609-L724 HydrophobicContact CE1-CD1 4.12Å; F609-L724 HydrophobicContact CE2-CD1 4.26Å; F609-L724 HydrophobicContact CG-CD1 3.54Å; F609-L724 HydrophobicContact CZ-CD1 4.38Å; V678-L724 HydrophobicContact CG2-CB 3.89Å; P681-L724 HydrophobicContact CB-CB 3.78Å; P681-L724 HydrophobicContact CB-CD2 4.38Å; P681-L724 HydrophobicContact CB-CG 4.46Å; P681-L724 HydrophobicContact CG-CB 3.91Å; P681-L724 HydrophobicContact CG-CD1 3.78Å; P681-L724 HydrophobicContact CG-CD2 3.99Å; P681-L724 HydrophobicContact CG-CG 4.1Å; Q682-L724 WeakPolarHBondContact O-CA 3.45Å; K683-L724 HydrophobicContact CB-CD2 4.41Å |
| 725 | V | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.7 | 178.9 | 66.5 | 0 | 0 | 0 | 0 | 110 | A566 P681 Q682 C684 V729 F740 | A566-V725 HydrophobicContact CB-CB 4.22Å; A566-V725 HydrophobicContact CB-CG2 4Å; P681-V725 CarbonylContact C-O 3.27Å; P681-V725 WeakPolarHBondContact CA-O 3.47Å; P681-V725 WeakPolarHBondContact CB-O 3.26Å; Q682-V725 HydrophobicContact CB-CG1 4.14Å; Q682-V725 PolarHBondContact N-O 2.88Å; Q682-V725 PolarHBondContact O-N 3.48Å; C684-V725 HydrophobicContact CB-CG1 4.28Å; V725-V729 HydrophobicContact CG2-CB 4.11Å; V725-V729 HydrophobicContact CG2-CG2 3.4Å; V725-F740 HydrophobicContact CG2-CE1 4.08Å; V725-F740 HydrophobicContact CG2-CZ 4.08Å |
| 726 | D | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -61.8 | 163.4 | 175.2 | 78.2 | 50.4 | 0 | 0 | 0 | 112.5 | A564 M565 H600 V602 V678 S728 | A564-D726 WeakPolarHBondContact CA-OD2 3.41Å; A564-D726 WeakPolarHBondContact CB-OD2 3.33Å; M565-D726 PolarHBondContact N-OD2 2.91Å; M565-D726 PolarHBondContact O-N 3.25Å; H600-D726 IonicContact NE2-OD2 3.18Å; V602-D726 HydrophobicContact CG1-CB 4.14Å; V602-D726 HydrophobicContact CG2-CB 4.15Å; V678-D726 HydrophobicContact CG1-CB 4.32Å; D726-S728 VanDerWaalsContact C-N 3.25Å; D726-S728 PolarHBondContact O-N 3.31Å; D726-S728 WeakPolarHBondContact OD1-CA 3.32Å; D726-S728 WeakPolarHBondContact OD1-CB 3.5Å; D726-S728 PolarHBondContact OD1-N 3.26Å; D726-S728 PolarHBondContact OD1-OG 3.08Å | ||
| 727 | I | 92.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -72.8 | -14.5 | -172.8 | -159.4 | 163 | 0 | 0 | 0 | 114 | V729 S730 | I727-V729 PolarHBondContact O-N 3.17Å; I727-S730 VanDerWaalsContact O-CB 3.3Å; I727-S730 WeakPolarHBondContact O-CB 3.5Å; I727-S730 PolarHBondContact O-N 3.42Å; I727-S730 PolarHBondContact O-OG 3.04Å |
| 728 | S | 89.8 | Confident | 94 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63.8 | -27.8 | -177.9 | 75.2 | 0 | 0 | 0 | 0 | 112 | H600 D726 S730 | H600-S728 WeakPolarHBondContact CD2-CB 3.26Å; D726-S728 VanDerWaalsContact C-N 3.25Å; D726-S728 PolarHBondContact O-N 3.31Å; D726-S728 WeakPolarHBondContact OD1-CA 3.32Å; D726-S728 WeakPolarHBondContact OD1-CB 3.5Å; D726-S728 PolarHBondContact OD1-N 3.26Å; D726-S728 PolarHBondContact OD1-OG 3.08Å; S728-S730 VanDerWaalsContact C-N 3.27Å; S728-S730 PolarHBondContact O-N 3.11Å |
| 729 | V | 91.1 | Very high | 94 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -82.3 | -6.4 | -174.4 | -145.2 | 0 | 0 | 0 | 0 | 112.6 | A564 V725 I727 K731 A732 F738 F759 | A564-V729 HydrophobicContact CB-CG2 3.84Å; V725-V729 HydrophobicContact CG2-CB 4.11Å; V725-V729 HydrophobicContact CG2-CG2 3.4Å; I727-V729 PolarHBondContact O-N 3.17Å; V729-K731 PolarHBondContact O-N 3.09Å; V729-K731 VanDerWaalsContact O-N 3.13Å; V729-A732 HydrophobicContact CG1-CB 4Å; V729-A732 WeakPolarHBondContact O-CB 3.49Å; V729-A732 PolarHBondContact O-N 2.84Å; V729-F738 HydrophobicContact CG1-CD1 4.2Å; V729-F738 HydrophobicContact CG1-CD2 3.85Å; V729-F738 HydrophobicContact CG1-CE1 3.9Å; V729-F738 HydrophobicContact CG1-CE2 3.52Å; V729-F738 HydrophobicContact CG1-CG 4.2Å; V729-F738 HydrophobicContact CG1-CZ 3.56Å; V729-F759 HydrophobicContact CB-CZ 4.39Å; V729-F759 HydrophobicContact CG1-CE1 3.94Å; V729-F759 HydrophobicContact CG1-CZ 3.5Å |
| 730 | S | 86.3 | Confident | 94.1 | Very high | 52 Ų | 52 | 47 Ų | 47 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -58 | -26.1 | 178.9 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | Q682 I727 S728 | Q682-S730 VanDerWaalsContact OE1-CA 3.3Å; Q682-S730 VanDerWaalsContact OE1-CB 3.23Å; I727-S730 VanDerWaalsContact O-CB 3.3Å; I727-S730 WeakPolarHBondContact O-CB 3.5Å; I727-S730 PolarHBondContact O-N 3.42Å; I727-S730 PolarHBondContact O-OG 3.04Å; S728-S730 VanDerWaalsContact C-N 3.27Å; S728-S730 PolarHBondContact O-N 3.11Å |
| 731 | K | 86.3 | Confident | 94 | Very high | 185 Ų | 185 | 46.7 Ų | 46.7 | 80% | 0.804 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -98.7 | 5.4 | -179.7 | -62.3 | -179.6 | -175.7 | 174 | 0 | 113.2 | V729 | V729-K731 PolarHBondContact O-N 3.09Å; V729-K731 VanDerWaalsContact O-N 3.13Å |
| 732 | A | 92 | Very high | 94 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -64 | 143.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V729 D736 F738 L748 | V729-A732 HydrophobicContact CG1-CB 4Å; V729-A732 WeakPolarHBondContact O-CB 3.49Å; V729-A732 PolarHBondContact O-N 2.84Å; A732-D736 HydrophobicContact CB-CB 4.28Å; A732-F738 HydrophobicContact CB-CE2 3.73Å; A732-F738 HydrophobicContact CB-CZ 3.69Å; A732-L748 HydrophobicContact CB-CD2 4.05Å |
| 733 | K | 94.2 | Very high | 94.2 | Very high | 157 Ų | 157 | 44.8 Ų | 44.8 | 68% | 0.683 | 22% | 0.222 | S | C | * | . | P | Polyproline II helix | trans | -99.6 | 158.7 | 173.5 | -62.7 | 177.8 | -175.3 | 175.1 | 0 | 109.7 | F735 D736 L748 | K733-F735 PolarHBondContact O-N 3.02Å; K733-D736 PolarHBondContact N-OD2 2.87Å; K733-D736 WeakPolarHBondContact O-CB 3.19Å; K733-D736 PolarHBondContact O-N 3.34Å; K733-L748 WeakPolarHBondContact O-CD2 3.38Å |
| 734 | V | 95.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 35% | 0.352 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 136.2 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | D736 P750 | V734-D736 VanDerWaalsContact C-N 3.28Å; V734-D736 PolarHBondContact O-N 3.26Å; V734-P750 HydrophobicContact CG1-CB 3.99Å; V734-P750 HydrophobicContact CG1-CG 3.74Å |
| 735 | F | 96.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 24% | 0.237 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 6.8 | -171.8 | -47.6 | -63.7 | 0 | 0 | 0 | 116.6 | R519 K733 K737 L748 P750 | R519-F735 HydrophobicContact CG-CD1 4.38Å; R519-F735 HydrophobicContact CG-CE1 4.17Å; K733-F735 PolarHBondContact O-N 3.02Å; F735-K737 WeakPolarHBondContact O-CD 3.46Å; F735-K737 WeakPolarHBondContact O-CE 3.43Å; F735-K737 PolarHBondContact O-NZ 3.13Å; F735-L748 PolarHBondContact N-O 3.45Å; F735-P750 HydrophobicContact CE1-CG 3.77Å; F735-P750 HydrophobicContact CZ-CG 3.73Å |
| 736 | D | 96.7 | Very high | 94.4 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 34% | 0.342 | 22% | 0.219 | S | C | . | . | trans | -65.8 | 142.7 | 164.8 | -75.3 | -12.4 | 0 | 0 | 0 | 109.6 | A732 K733 V734 F738 A747 L748 | A732-D736 HydrophobicContact CB-CB 4.28Å; K733-D736 PolarHBondContact N-OD2 2.87Å; K733-D736 WeakPolarHBondContact O-CB 3.19Å; K733-D736 PolarHBondContact O-N 3.34Å; V734-D736 VanDerWaalsContact C-N 3.28Å; V734-D736 PolarHBondContact O-N 3.26Å; D736-F738 HydrophobicContact CB-CE2 3.77Å; D736-F738 HydrophobicContact CB-CZ 4.1Å; D736-A747 CarbonylContact O-C 3.52Å; D736-A747 VanDerWaalsContact O-CA 3.26Å; D736-A747 WeakPolarHBondContact O-CA 3.38Å; D736-L748 PolarHBondContact O-N 3.39Å | ||
| 737 | K | 97.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.8 | -174.3 | -54.4 | 91.4 | 179.7 | 162.6 | 0 | 109.4 | L557 A561 P562 F735 F746 A747 | L557-K737 HydrophobicContact CD2-CB 3.94Å; L557-K737 HydrophobicContact CD2-CG 4Å; A561-K737 HydrophobicContact CB-CB 4.35Å; P562-K737 WeakPolarHBondContact CD-O 3.07Å; F735-K737 WeakPolarHBondContact O-CD 3.46Å; F735-K737 WeakPolarHBondContact O-CE 3.43Å; F735-K737 PolarHBondContact O-NZ 3.13Å; K737-F746 CarbonylContact C-O 3.55Å; K737-F746 VanDerWaalsContact CA-O 3.3Å; K737-F746 WeakPolarHBondContact CA-O 3.34Å; K737-A747 HydrophobicContact CG-CB 4.22Å |
| 738 | F | 97.6 | Very high | 94.8 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.5 | 179.5 | -61.8 | -85.8 | 0 | 0 | 0 | 109.8 | P562 A564 V729 A732 D736 F740 Y745 F746 F759 | P562-F738 HydrophobicContact CG-CD1 3.75Å; P562-F738 HydrophobicContact CG-CE1 3.77Å; P562-F738 WeakPolarHBondContact O-CA 2.98Å; A564-F738 HydrophobicContact CB-CD1 4.37Å; V729-F738 HydrophobicContact CG1-CD1 4.2Å; V729-F738 HydrophobicContact CG1-CD2 3.85Å; V729-F738 HydrophobicContact CG1-CE1 3.9Å; V729-F738 HydrophobicContact CG1-CE2 3.52Å; V729-F738 HydrophobicContact CG1-CG 4.2Å; V729-F738 HydrophobicContact CG1-CZ 3.56Å; A732-F738 HydrophobicContact CB-CE2 3.73Å; A732-F738 HydrophobicContact CB-CZ 3.69Å; D736-F738 HydrophobicContact CB-CE2 3.77Å; D736-F738 HydrophobicContact CB-CZ 4.1Å; F738-F740 HydrophobicContact CB-CD1 4.01Å; F738-F740 HydrophobicContact CB-CE1 3.82Å; F738-F740 HydrophobicContact CG-CE1 4.42Å; F738-Y745 WeakPolarHBondContact O-CA 3.47Å; F738-F746 PolarHBondContact N-O 3.35Å; F738-F746 PolarHBondContact O-N 2.72Å; F738-F759 AromaticContact CD2-CE1 3.95Å; F738-F759 HydrophobicContact CD2-CE1 3.95Å; F738-F759 HydrophobicContact CE2-CE1 4.26Å |
| 739 | Q | 97.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 109.1 | 159.1 | -172 | -171.7 | -20.2 | 0 | 0 | 108 | P562 R563 A564 E741 Y745 L765 | P562-Q739 PolarHBondContact O-N 2.66Å; R563-Q739 WeakPolarHBondContact CA-O 3.19Å; R563-Q739 HydrophobicContact CG-CB 4.13Å; A564-Q739 PolarHBondContact N-O 3.13Å; Q739-E741 PolarHBondContact O-N 3.49Å; Q739-Y745 HydrophobicContact CB-CD1 3.8Å; Q739-Y745 HydrophobicContact CB-CE1 3.65Å; Q739-Y745 HydrophobicContact CG-CD1 4.02Å; Q739-Y745 HydrophobicContact CG-CE1 3.7Å; Q739-L765 HydrophobicContact CG-CD2 3.9Å |
| 740 | F | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 114.6 | 167.1 | -68.6 | -11.1 | 0 | 0 | 0 | 108.5 | A564 A566 I686 V725 F738 R742 V743 G744 F746 F759 | A564-F740 HydrophobicContact CB-CD1 4.23Å; A564-F740 HydrophobicContact CB-CE1 4.33Å; A564-F740 WeakPolarHBondContact O-CA 3.19Å; A566-F740 HydrophobicContact CB-CB 4.1Å; A566-F740 HydrophobicContact CB-CD1 3.91Å; A566-F740 HydrophobicContact CB-CD2 3.43Å; A566-F740 VanDerWaalsContact CB-CD2 3.43Å; A566-F740 HydrophobicContact CB-CE1 4.15Å; A566-F740 HydrophobicContact CB-CE2 3.71Å; A566-F740 HydrophobicContact CB-CG 3.55Å; A566-F740 HydrophobicContact CB-CZ 4.07Å; I686-F740 HydrophobicContact CD1-CD2 4.39Å; I686-F740 HydrophobicContact CD1-CE2 3.97Å; V725-F740 HydrophobicContact CG2-CE1 4.08Å; V725-F740 HydrophobicContact CG2-CZ 4.08Å; F738-F740 HydrophobicContact CB-CD1 4.01Å; F738-F740 HydrophobicContact CB-CE1 3.82Å; F738-F740 HydrophobicContact CG-CE1 4.42Å; F740-R742 PolarHBondContact O-N 3.16Å; F740-V743 HydrophobicContact CB-CB 4.14Å; F740-V743 PolarHBondContact O-N 3.4Å; F740-G744 PolarHBondContact N-O 3.29Å; F740-G744 PolarHBondContact O-N 2.92Å; F740-G744 VanDerWaalsContact O-N 3.14Å; F740-F746 HydrophobicContact CB-CD2 3.69Å; F740-F746 HydrophobicContact CB-CE2 3.79Å; F740-F746 HydrophobicContact CD1-CD2 4.44Å; F740-F746 HydrophobicContact CD2-CB 4.06Å; F740-F746 HydrophobicContact CD2-CD1 4.05Å; F740-F746 AromaticContact CD2-CD2 3.2Å; F740-F746 HydrophobicContact CD2-CD2 3.2Å; F740-F746 HydrophobicContact CD2-CE1 4.32Å; F740-F746 AromaticContact CD2-CE2 3.55Å; F740-F746 HydrophobicContact CD2-CE2 3.55Å; F740-F746 AromaticContact CD2-CG 3.49Å; F740-F746 HydrophobicContact CD2-CG 3.49Å; F740-F746 VanDerWaalsContact CD2-CG 3.49Å; F740-F746 HydrophobicContact CD2-CZ 4.1Å; F740-F746 HydrophobicContact CE2-CB 3.9Å; F740-F746 HydrophobicContact CE2-CD1 4.06Å; F740-F746 AromaticContact CE2-CD2 3.9Å; F740-F746 HydrophobicContact CE2-CD2 3.9Å; F740-F746 HydrophobicContact CE2-CE2 4.47Å; F740-F746 AromaticContact CE2-CG 3.67Å; F740-F746 HydrophobicContact CE2-CG 3.67Å; F740-F746 HydrophobicContact CG-CB 4.49Å; F740-F746 AromaticContact CG-CD2 3.52Å; F740-F746 HydrophobicContact CG-CD2 3.52Å; F740-F746 AromaticContact CG-CE2 3.99Å; F740-F746 HydrophobicContact CG-CE2 3.99Å; F740-F746 HydrophobicContact CG-CG 4.13Å; F740-F746 HydrophobicContact CZ-CB 4.2Å; F740-F746 HydrophobicContact CZ-CG 4.44Å; F740-F759 HydrophobicContact CE2-CB 4.41Å; F740-F759 HydrophobicContact CE2-CD1 4.47Å; F740-F759 HydrophobicContact CE2-CG 4.24Å; F740-F759 AromaticContact CZ-CD1 3.83Å; F740-F759 HydrophobicContact CZ-CD1 3.83Å; F740-F759 HydrophobicContact CZ-CD2 4.16Å; F740-F759 HydrophobicContact CZ-CE1 4Å; F740-F759 HydrophobicContact CZ-CE2 4.31Å; F740-F759 AromaticContact CZ-CG 3.92Å; F740-F759 HydrophobicContact CZ-CG 3.92Å; F740-F759 HydrophobicContact CZ-CZ 4.25Å |
| 741 | E | 95.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 131.4 | -170.6 | -74.6 | -152.3 | -149.8 | 0 | 0 | 112 | R563 A564 R635 H636 H676 Q739 V743 | R563-E741 HydrophobicContact CB-CG 4.2Å; R563-E741 HydrophobicContact CG-CG 4.34Å; A564-E741 PolarHBondContact O-N 3.21Å; R635-E741 WeakPolarHBondContact CD-OE2 3.49Å; R635-E741 IonicContact CZ-OE2 3.62Å; R635-E741 IonicContact NE-OE2 3.92Å; R635-E741 IonicContact NH1-OE2 3.12Å; R635-E741 PolarHBondContact NH1-OE2 3.32Å; H636-E741 IonicContact CD2-OE1 3.85Å; H636-E741 IonicContact CE1-OE1 3.74Å; H636-E741 IonicContact NE2-OE1 3.49Å; H636-E741 PolarHBondContact NE2-OE1 3.45Å; H636-E741 IonicContact NE2-OE2 3.32Å; H676-E741 HydrophobicContact CB-CB 4.35Å; H676-E741 PolarHBondContact ND1-O 3.39Å; Q739-E741 PolarHBondContact O-N 3.49Å; E741-V743 PolarHBondContact O-N 3.19Å |
| 742 | R | 94.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 35 Ų | 35 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -7.9 | -176.9 | -55.1 | 172.8 | 56.9 | -121.6 | 5.7 | 116.2 | D614 H676 F740 | D614-R742 IonicContact OD1-CZ 2.8Å; D614-R742 IonicContact OD1-NH1 3.5Å; D614-R742 IonicContact OD1-NH2 2.7Å; D614-R742 PolarHBondContact OD1-NH2 3.18Å; D614-R742 IonicContact OD2-CZ 2.65Å; D614-R742 IonicContact OD2-NH1 3.77Å; D614-R742 PolarHBondContact OD2-NH1 3.36Å; D614-R742 IonicContact OD2-NH2 2.7Å; D614-R742 PolarHBondContact OD2-NH2 3.09Å; H676-R742 PolarHBondContact CE1-NH1 3.1Å; H676-R742 VanDerWaalsContact CE1-NH1 3.26Å; H676-R742 PolarHBondContact ND1-NH1 3.01Å; F740-R742 PolarHBondContact O-N 3.16Å |
| 743 | V | 94.9 | Very high | 96.3 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -61.4 | -178.1 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | L568 F740 E741 F746 | L568-V743 HydrophobicContact CD1-CG1 4.01Å; L568-V743 HydrophobicContact CD1-CG2 4.34Å; L568-V743 HydrophobicContact CD2-CG1 3.87Å; F740-V743 HydrophobicContact CB-CB 4.14Å; F740-V743 PolarHBondContact O-N 3.4Å; E741-V743 PolarHBondContact O-N 3.19Å; V743-F746 HydrophobicContact CB-CE2 4.15Å; V743-F746 HydrophobicContact CG1-CE2 3.66Å; V743-F746 HydrophobicContact CG1-CZ 3.62Å |
| 744 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | -172.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F740 F746 | F740-G744 PolarHBondContact N-O 3.29Å; F740-G744 PolarHBondContact O-N 2.92Å; F740-G744 VanDerWaalsContact O-N 3.14Å; G744-F746 WeakPolarHBondContact O-CD2 3.45Å |
| 745 | Y | 98.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.2 | 171.7 | -63.4 | -83.3 | 0 | 0 | 0 | 110.2 | R554 L557 N558 A561 F738 Q739 T762 V763 L765 | R554-Y745 HydrophobicContact CG-CE2 4.29Å; L557-Y745 HydrophobicContact CB-CD1 3.56Å; L557-Y745 HydrophobicContact CB-CE1 3.66Å; L557-Y745 HydrophobicContact CB-CG 4.06Å; L557-Y745 HydrophobicContact CD1-CD1 4.1Å; L557-Y745 HydrophobicContact CD1-CG 3.9Å; L557-Y745 HydrophobicContact CG-CD1 4.44Å; N558-Y745 VanDerWaalsContact CA-OH 3.31Å; N558-Y745 WeakPolarHBondContact CA-OH 3.46Å; N558-Y745 WeakPolarHBondContact CB-OH 3.43Å; A561-Y745 HydrophobicContact CB-CD1 4.18Å; A561-Y745 HydrophobicContact CB-CE1 4.35Å; F738-Y745 WeakPolarHBondContact O-CA 3.47Å; Q739-Y745 HydrophobicContact CB-CD1 3.8Å; Q739-Y745 HydrophobicContact CB-CE1 3.65Å; Q739-Y745 HydrophobicContact CG-CD1 4.02Å; Q739-Y745 HydrophobicContact CG-CE1 3.7Å; Y745-T762 WeakPolarHBondContact O-CB 3.18Å; Y745-T762 PolarHBondContact O-N 2.7Å; Y745-V763 HydrophobicContact CD2-CG1 3.77Å; Y745-V763 HydrophobicContact CG-CG1 4.32Å; Y745-V763 PolarHBondContact N-O 3.21Å; Y745-V763 PolarHBondContact O-N 3.17Å; Y745-L765 HydrophobicContact CD2-CD2 4.17Å; Y745-L765 HydrophobicContact CE2-CD2 3.78Å |
| 746 | F | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.1 | -175.7 | -67 | -98 | 0 | 0 | 0 | 110.3 | I686 L688 K737 F738 F740 V743 G744 F759 N760 R761 | I686-F746 HydrophobicContact CG2-CD1 4.18Å; I686-F746 HydrophobicContact CG2-CE1 3.56Å; I686-F746 HydrophobicContact CG2-CZ 4.48Å; L688-F746 HydrophobicContact CD2-CE1 4.01Å; L688-F746 HydrophobicContact CD2-CZ 4.31Å; K737-F746 CarbonylContact C-O 3.55Å; K737-F746 VanDerWaalsContact CA-O 3.3Å; K737-F746 WeakPolarHBondContact CA-O 3.34Å; F738-F746 PolarHBondContact N-O 3.35Å; F738-F746 PolarHBondContact O-N 2.72Å; F740-F746 HydrophobicContact CB-CD2 3.69Å; F740-F746 HydrophobicContact CB-CE2 3.79Å; F740-F746 HydrophobicContact CD1-CD2 4.44Å; F740-F746 HydrophobicContact CD2-CB 4.06Å; F740-F746 HydrophobicContact CD2-CD1 4.05Å; F740-F746 AromaticContact CD2-CD2 3.2Å; F740-F746 HydrophobicContact CD2-CD2 3.2Å; F740-F746 HydrophobicContact CD2-CE1 4.32Å; F740-F746 AromaticContact CD2-CE2 3.55Å; F740-F746 HydrophobicContact CD2-CE2 3.55Å; F740-F746 AromaticContact CD2-CG 3.49Å; F740-F746 HydrophobicContact CD2-CG 3.49Å; F740-F746 VanDerWaalsContact CD2-CG 3.49Å; F740-F746 HydrophobicContact CD2-CZ 4.1Å; F740-F746 HydrophobicContact CE2-CB 3.9Å; F740-F746 HydrophobicContact CE2-CD1 4.06Å; F740-F746 AromaticContact CE2-CD2 3.9Å; F740-F746 HydrophobicContact CE2-CD2 3.9Å; F740-F746 HydrophobicContact CE2-CE2 4.47Å; F740-F746 AromaticContact CE2-CG 3.67Å; F740-F746 HydrophobicContact CE2-CG 3.67Å; F740-F746 HydrophobicContact CG-CB 4.49Å; F740-F746 AromaticContact CG-CD2 3.52Å; F740-F746 HydrophobicContact CG-CD2 3.52Å; F740-F746 AromaticContact CG-CE2 3.99Å; F740-F746 HydrophobicContact CG-CE2 3.99Å; F740-F746 HydrophobicContact CG-CG 4.13Å; F740-F746 HydrophobicContact CZ-CB 4.2Å; F740-F746 HydrophobicContact CZ-CG 4.44Å; V743-F746 HydrophobicContact CB-CE2 4.15Å; V743-F746 HydrophobicContact CG1-CE2 3.66Å; V743-F746 HydrophobicContact CG1-CZ 3.62Å; G744-F746 WeakPolarHBondContact O-CD2 3.45Å; F746-F759 HydrophobicContact CB-CB 4.36Å; F746-F759 HydrophobicContact CB-CD1 4.34Å; F746-F759 HydrophobicContact CD1-CB 4.32Å; F746-N760 CarbonylContact C-O 3.33Å; F746-N760 WeakPolarHBondContact CA-O 3.12Å; F746-R761 HydrophobicContact CD1-CB 4Å; F746-R761 HydrophobicContact CE1-CB 3.57Å; F746-R761 HydrophobicContact CE1-CG 3.96Å; F746-R761 HydrophobicContact CZ-CB 4.14Å; F746-R761 HydrophobicContact CZ-CG 4.01Å |
| 747 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G522 D736 K737 D749 F759 N760 | G522-A747 VanDerWaalsContact CA-CB 3.43Å; D736-A747 CarbonylContact O-C 3.52Å; D736-A747 VanDerWaalsContact O-CA 3.26Å; D736-A747 WeakPolarHBondContact O-CA 3.38Å; K737-A747 HydrophobicContact CG-CB 4.22Å; A747-D749 PolarHBondContact O-N 3.01Å; A747-F759 WeakPolarHBondContact O-CA 3.34Å; A747-N760 PolarHBondContact N-O 3.18Å; A747-N760 PolarHBondContact O-N 3.05Å |
| 748 | L | 97.6 | Very high | 95 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 120.1 | 176 | -164.9 | 74.4 | 0 | 0 | 0 | 109.8 | A732 K733 F735 D736 S752 L757 F759 | A732-L748 HydrophobicContact CB-CD2 4.05Å; K733-L748 WeakPolarHBondContact O-CD2 3.38Å; F735-L748 PolarHBondContact N-O 3.45Å; D736-L748 PolarHBondContact O-N 3.39Å; L748-S752 WeakPolarHBondContact CD1-OG 3.33Å; L748-S752 WeakPolarHBondContact CG-OG 3.41Å; L748-L757 HydrophobicContact CD1-CB 4.32Å; L748-L757 HydrophobicContact CD1-CD2 4.06Å; L748-F759 HydrophobicContact CB-CD1 4.4Å; L748-F759 HydrophobicContact CB-CE1 4.1Å; L748-F759 HydrophobicContact CD1-CD1 4.06Å; L748-F759 HydrophobicContact CD1-CD2 4.27Å; L748-F759 HydrophobicContact CD1-CE1 3.57Å; L748-F759 HydrophobicContact CD1-CE2 3.81Å; L748-F759 HydrophobicContact CD1-CG 4.38Å; L748-F759 HydrophobicContact CD1-CZ 3.42Å; L748-F759 VanDerWaalsContact CD1-CZ 3.42Å; L748-F759 HydrophobicContact CG-CE1 4.46Å |
| 749 | D | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -76.9 | 149.1 | -176.6 | -173.6 | -99.8 | 0 | 0 | 0 | 111.5 | R520 R687 A747 D751 S752 V758 N760 | R520-D749 WeakPolarHBondContact CG-OD2 3.24Å; R520-D749 IonicContact CZ-OD1 3.74Å; R520-D749 IonicContact CZ-OD2 2.78Å; R520-D749 IonicContact NE-OD1 3.41Å; R520-D749 IonicContact NE-OD2 3.33Å; R520-D749 PolarHBondContact NE-OD2 2.6Å; R520-D749 IonicContact NH2-OD1 3.73Å; R520-D749 PolarHBondContact NH2-OD1 3.01Å; R520-D749 IonicContact NH2-OD2 3.26Å; R520-D749 PolarHBondContact NH2-OD2 2.99Å; R687-D749 IonicContact NH1-OD1 2.89Å; R687-D749 PolarHBondContact NH1-OD1 3.31Å; R687-D749 IonicContact NH1-OD2 3.33Å; A747-D749 PolarHBondContact O-N 3.01Å; D749-D751 PolarHBondContact O-N 2.91Å; D749-D751 VanDerWaalsContact O-N 3.15Å; D749-D751 WeakPolarHBondContact OD1-CB 3.28Å; D749-D751 PolarHBondContact OD1-N 3.34Å; D749-S752 WeakPolarHBondContact O-CB 3.32Å; D749-S752 PolarHBondContact O-N 2.76Å; D749-S752 PolarHBondContact O-OG 3.36Å; D749-V758 HydrophobicContact CB-CB 4.13Å; D749-V758 HydrophobicContact CB-CG1 3.89Å; D749-V758 PolarHBondContact N-O 3.32Å; D749-N760 PolarHBondContact OD2-ND2 3.1Å | ||
| 750 | P | 96.4 | Very high | 95 | Very high | 54 Ų | 54 | 35.4 Ų | 35.4 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.9 | 174.2 | -26.5 | 35.9 | 0 | 0 | 0 | 115.8 | R520 V734 F735 S752 | R520-P750 HydrophobicContact CG-CG 4.42Å; V734-P750 HydrophobicContact CG1-CB 3.99Å; V734-P750 HydrophobicContact CG1-CG 3.74Å; F735-P750 HydrophobicContact CE1-CG 3.77Å; F735-P750 HydrophobicContact CZ-CG 3.73Å; P750-S752 PolarHBondContact O-N 2.74Å |
| 751 | D | 95.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 37.1 Ų | 37.1 | 35% | 0.353 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -5.2 | 172.9 | -61 | -13.3 | 0 | 0 | 0 | 112.7 | R505 R520 R687 D749 V758 | R505-D751 IonicContact NH1-OD2 3.95Å; R520-D751 IonicContact CZ-OD1 2.8Å; R520-D751 IonicContact NH2-OD1 3.92Å; R520-D751 PolarHBondContact NH2-OD1 2.9Å; R520-D751 IonicContact NH2-OD2 3.12Å; R520-D751 PolarHBondContact NH2-OD2 3.19Å; R520-D751 VanDerWaalsContact NH2-OD2 3.16Å; R687-D751 IonicContact CZ-OD2 3.63Å; R687-D751 VanDerWaalsContact CZ-OD2 3.24Å; R687-D751 IonicContact NH1-OD2 2.82Å; R687-D751 PolarHBondContact NH1-OD2 3.3Å; R687-D751 IonicContact NH2-OD2 3.8Å; R687-D751 PolarHBondContact NH2-OD2 3.44Å; D749-D751 PolarHBondContact O-N 2.91Å; D749-D751 VanDerWaalsContact O-N 3.15Å; D749-D751 WeakPolarHBondContact OD1-CB 3.28Å; D749-D751 PolarHBondContact OD1-N 3.34Å; D751-V758 HydrophobicContact CB-CG2 4.38Å |
| 752 | S | 94.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | trans | -69.8 | 138.4 | 178.1 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | L748 D749 P750 K756 V758 | L748-S752 WeakPolarHBondContact CD1-OG 3.33Å; L748-S752 WeakPolarHBondContact CG-OG 3.41Å; D749-S752 WeakPolarHBondContact O-CB 3.32Å; D749-S752 PolarHBondContact O-N 2.76Å; D749-S752 PolarHBondContact O-OG 3.36Å; P750-S752 PolarHBondContact O-N 2.74Å; S752-K756 CarbonylContact C-O 3.58Å; S752-K756 WeakPolarHBondContact CA-O 3.45Å; S752-V758 PolarHBondContact OG-N 2.79Å; S752-V758 PolarHBondContact OG-O 3.08Å | ||
| 753 | T | 91.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 33.3 Ų | 33.3 | 49% | 0.485 | 19% | 0.193 | S | C | . | . | trans | -126.3 | 173.2 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | D755 K756 | T753-D755 PolarHBondContact O-N 2.98Å; T753-K756 PolarHBondContact N-O 2.84Å; T753-K756 CarbonylContact O-C 3.38Å; T753-K756 PolarHBondContact O-N 3.01Å; T753-K756 PolarHBondContact OG1-N 3.48Å | ||
| 754 | A | 84 | Confident | 95.2 | Very high | 106 Ų | 106 | 33.8 Ų | 33.8 | 88% | 0.876 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -58.3 | -30.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 755 | D | 85.1 | Confident | 95 | Very high | 163 Ų | 163 | 36.4 Ų | 36.4 | 87% | 0.872 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -97.2 | -16.8 | -177 | -58.3 | -46.2 | 0 | 0 | 0 | 113.4 | T753 | T753-D755 PolarHBondContact O-N 2.98Š|
| 756 | K | 90.9 | Very high | 94.5 | Very high | 101 Ų | 101 | 44.1 Ų | 44.1 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | trans | -140.5 | 108.3 | -176.2 | -172.3 | -173.4 | 178.8 | -174.7 | 0 | 110.7 | E685 S752 T753 V758 | E685-K756 WeakPolarHBondContact OE2-CE 3.36Å; E685-K756 IonicContact OE2-NZ 3.88Å; E685-K756 PolarHBondContact OE2-NZ 3.48Å; S752-K756 CarbonylContact C-O 3.58Å; S752-K756 WeakPolarHBondContact CA-O 3.45Å; T753-K756 PolarHBondContact N-O 2.84Å; T753-K756 CarbonylContact O-C 3.38Å; T753-K756 PolarHBondContact O-N 3.01Å; T753-K756 PolarHBondContact OG1-N 3.48Å; K756-V758 HydrophobicContact CD-CG2 4.43Å; K756-V758 HydrophobicContact CG-CG2 4.35Å | ||
| 757 | L | 95.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 134.3 | 172.6 | -59.6 | 173.7 | 0 | 0 | 0 | 110.2 | C684 E685 L748 F759 | C684-L757 WeakPolarHBondContact CA-O 3.47Å; C684-L757 HydrophobicContact CB-CB 3.93Å; C684-L757 WeakPolarHBondContact CB-O 3.41Å; E685-L757 PolarHBondContact N-O 3.24Å; L748-L757 HydrophobicContact CD1-CB 4.32Å; L748-L757 HydrophobicContact CD1-CD2 4.06Å; L757-F759 HydrophobicContact CB-CE2 3.88Å; L757-F759 HydrophobicContact CD1-CE2 4.45Å |
| 758 | V | 97.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.2 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | E685 R687 D749 D751 S752 K756 | E685-V758 HydrophobicContact CB-CG1 4.36Å; E685-V758 HydrophobicContact CB-CG2 4.23Å; E685-V758 HydrophobicContact CG-CG1 4.4Å; E685-V758 CarbonylContact O-C 3.51Å; E685-V758 WeakPolarHBondContact O-CA 3.25Å; R687-V758 VanDerWaalsContact CZ-CG1 3.48Å; D749-V758 HydrophobicContact CB-CB 4.13Å; D749-V758 HydrophobicContact CB-CG1 3.89Å; D749-V758 PolarHBondContact N-O 3.32Å; D751-V758 HydrophobicContact CB-CG2 4.38Å; S752-V758 PolarHBondContact OG-N 2.79Å; S752-V758 PolarHBondContact OG-O 3.08Å; K756-V758 HydrophobicContact CD-CG2 4.43Å; K756-V758 HydrophobicContact CG-CG2 4.35Å |
| 759 | F | 98.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.9 | 178.7 | -69.2 | -88.4 | 0 | 0 | 0 | 111.6 | C684 E685 I686 R687 V729 F738 F740 F746 A747 L748 L757 | C684-F759 HydrophobicContact CB-CD2 4.07Å; C684-F759 HydrophobicContact CB-CE2 4.16Å; E685-F759 PolarHBondContact O-N 2.91Å; I686-F759 CarbonylContact C-O 3.47Å; I686-F759 WeakPolarHBondContact CA-O 3.27Å; I686-F759 HydrophobicContact CG1-CB 4.33Å; R687-F759 PolarHBondContact N-O 3.13Å; V729-F759 HydrophobicContact CB-CZ 4.39Å; V729-F759 HydrophobicContact CG1-CE1 3.94Å; V729-F759 HydrophobicContact CG1-CZ 3.5Å; F738-F759 AromaticContact CD2-CE1 3.95Å; F738-F759 HydrophobicContact CD2-CE1 3.95Å; F738-F759 HydrophobicContact CE2-CE1 4.26Å; F740-F759 HydrophobicContact CE2-CB 4.41Å; F740-F759 HydrophobicContact CE2-CD1 4.47Å; F740-F759 HydrophobicContact CE2-CG 4.24Å; F740-F759 AromaticContact CZ-CD1 3.83Å; F740-F759 HydrophobicContact CZ-CD1 3.83Å; F740-F759 HydrophobicContact CZ-CD2 4.16Å; F740-F759 HydrophobicContact CZ-CE1 4Å; F740-F759 HydrophobicContact CZ-CE2 4.31Å; F740-F759 AromaticContact CZ-CG 3.92Å; F740-F759 HydrophobicContact CZ-CG 3.92Å; F740-F759 HydrophobicContact CZ-CZ 4.25Å; F746-F759 HydrophobicContact CB-CB 4.36Å; F746-F759 HydrophobicContact CB-CD1 4.34Å; F746-F759 HydrophobicContact CD1-CB 4.32Å; A747-F759 WeakPolarHBondContact O-CA 3.34Å; L748-F759 HydrophobicContact CB-CD1 4.4Å; L748-F759 HydrophobicContact CB-CE1 4.1Å; L748-F759 HydrophobicContact CD1-CD1 4.06Å; L748-F759 HydrophobicContact CD1-CD2 4.27Å; L748-F759 HydrophobicContact CD1-CE1 3.57Å; L748-F759 HydrophobicContact CD1-CE2 3.81Å; L748-F759 HydrophobicContact CD1-CG 4.38Å; L748-F759 HydrophobicContact CD1-CZ 3.42Å; L748-F759 VanDerWaalsContact CD1-CZ 3.42Å; L748-F759 HydrophobicContact CG-CE1 4.46Å; L757-F759 HydrophobicContact CB-CE2 3.88Å; L757-F759 HydrophobicContact CD1-CE2 4.45Å |
| 760 | N | 98.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.1 | 170.9 | -68.3 | -20 | 0 | 0 | 0 | 109.7 | R520 R687 Y689 F746 A747 D749 T762 | R520-N760 PolarHBondContact O-ND2 3.49Å; R687-N760 WeakPolarHBondContact CD-OD1 3.41Å; Y689-N760 HydrophobicContact CD2-CB 4.47Å; Y689-N760 HydrophobicContact CE2-CB 3.78Å; Y689-N760 PolarHBondContact OH-OD1 3.1Å; F746-N760 CarbonylContact C-O 3.33Å; F746-N760 WeakPolarHBondContact CA-O 3.12Å; A747-N760 PolarHBondContact N-O 3.18Å; A747-N760 PolarHBondContact O-N 3.05Å; D749-N760 PolarHBondContact OD2-ND2 3.1Å; N760-T762 PolarHBondContact O-N 3.05Å |
| 761 | R | 98.1 | Very high | 84.3 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 112.8 | 167.5 | -173.1 | 176.8 | 65.5 | -175.1 | 5.7 | 109.4 | R687 L688 Y689 E690 F746 | R687-R761 PolarHBondContact O-N 2.76Å; L688-R761 HydrophobicContact CD2-CB 3.93Å; L688-R761 HydrophobicContact CD2-CG 4.47Å; Y689-R761 PolarHBondContact O-NH2 3.41Å; E690-R761 IonicContact OE1-CZ 3.59Å; E690-R761 IonicContact OE1-NH1 2.65Å; E690-R761 IonicContact OE1-NH2 3.28Å; E690-R761 PolarHBondContact OE1-NH2 3.05Å; F746-R761 HydrophobicContact CD1-CB 4Å; F746-R761 HydrophobicContact CE1-CB 3.57Å; F746-R761 HydrophobicContact CE1-CG 3.96Å; F746-R761 HydrophobicContact CZ-CB 4.14Å; F746-R761 HydrophobicContact CZ-CG 4.01Å |
| 762 | T | 97.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -60 | 176.8 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | R521 G522 F523 V553 L557 Y745 N760 | R521-T762 PolarHBondContact NE-O 3.32Å; R521-T762 PolarHBondContact NH2-O 2.95Å; R521-T762 VanDerWaalsContact NH2-O 3.08Å; R521-T762 WeakPolarHBondContact O-CA 3.31Å; R521-T762 PolarHBondContact O-OG1 3.06Å; R521-T762 VanDerWaalsContact O-OG1 3.14Å; G522-T762 WeakPolarHBondContact O-CG2 3.49Å; F523-T762 HydrophobicContact CD1-CG2 3.49Å; F523-T762 VanDerWaalsContact CD1-CG2 3.49Å; F523-T762 HydrophobicContact CE1-CG2 3.79Å; V553-T762 HydrophobicContact CG1-CG2 3.95Å; L557-T762 HydrophobicContact CD1-CG2 4Å; Y745-T762 WeakPolarHBondContact O-CB 3.18Å; Y745-T762 PolarHBondContact O-N 2.7Å; N760-T762 PolarHBondContact O-N 3.05Å |
| 763 | V | 96.5 | Very high | 80.8 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 153.1 | -177.8 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | E550 V553 R554 Y745 | E550-V763 HydrophobicContact CB-CG2 3.82Å; E550-V763 HydrophobicContact CG-CG2 4.21Å; V553-V763 HydrophobicContact CG1-CG1 3.98Å; R554-V763 HydrophobicContact CG-CG1 3.73Å; R554-V763 HydrophobicContact CG-CG2 3.97Å; Y745-V763 HydrophobicContact CD2-CG1 3.77Å; Y745-V763 HydrophobicContact CG-CG1 4.32Å; Y745-V763 PolarHBondContact N-O 3.21Å; Y745-V763 PolarHBondContact O-N 3.17Å |
| 764 | T | 94.6 | Very high | 80.3 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 162.4 | 173 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | R554 K766 | R554-T764 WeakPolarHBondContact CD-O 3.48Å; T764-K766 VanDerWaalsContact C-N 3.29Å; T764-K766 WeakPolarHBondContact CB-O 3.24Å; T764-K766 PolarHBondContact O-N 3.43Å; T764-K766 PolarHBondContact OG1-O 2.9Å |
| 765 | L | 91.9 | Very high | 80.1 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 29% | 0.293 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -66.9 | -31.3 | 178.5 | -64 | 178.6 | 0 | 0 | 0 | 113.2 | Q739 Y745 | Q739-L765 HydrophobicContact CG-CD2 3.9Å; Y745-L765 HydrophobicContact CD2-CD2 4.17Å; Y745-L765 HydrophobicContact CE2-CD2 3.78Å |
| 766 | K | 86.4 | Confident | 79.8 | Confident | 172 Ų | 172 | 60.4 Ų | 60.4 | 75% | 0.748 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -138.1 | 156.8 | 179.1 | -65.5 | -175.1 | 178.7 | -175.7 | 0 | 109.2 | T764 | T764-K766 VanDerWaalsContact C-N 3.29Å; T764-K766 WeakPolarHBondContact CB-O 3.24Å; T764-K766 PolarHBondContact O-N 3.43Å; T764-K766 PolarHBondContact OG1-O 2.9Å |
| 767 | E | 73.1 | Confident | 79.1 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | trans | -63.9 | 137.2 | 167.5 | -65.9 | -178.2 | 174.3 | 0 | 0 | 109.2 | H547 R554 P769 | H547-E767 IonicContact CG-OE1 3.66Å; H547-E767 IonicContact ND1-OE1 3.89Å; H547-E767 PolarHBondContact ND1-OE1 3.48Å; H547-E767 VanDerWaalsContact ND1-OE1 3.16Å; H547-E767 IonicContact ND1-OE2 2.96Å; R554-E767 IonicContact CZ-OE1 3.72Å; R554-E767 IonicContact NH1-OE1 2.75Å; R554-E767 IonicContact NH2-OE1 3.8Å; R554-E767 PolarHBondContact NH2-OE1 3.46Å; E767-P769 WeakPolarHBondContact O-CD 3.16Å | ||
| 768 | D | 61.4 | Low | 78 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | trans | -86.3 | 110.4 | 172.7 | -173.1 | -13 | 0 | 0 | 0 | 108.3 | G770 K771 | D768-G770 PolarHBondContact O-N 2.95Å; D768-G770 VanDerWaalsContact O-N 3.15Å; D768-G770 PolarHBondContact OD1-N 3.3Å; D768-K771 HydrophobicContact CB-CB 4.26Å; D768-K771 HydrophobicContact CB-CD 4.29Å; D768-K771 HydrophobicContact CB-CG 4.16Å; D768-K771 PolarHBondContact O-N 3.28Å; D768-K771 VanDerWaalsContact O-N 3.15Å | ||
| 769 | P | 47.7 | Very low | 76.6 | Confident | 108 Ų | 108 | 64.8 Ų | 64.8 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -62.7 | -21.1 | -179.1 | -17.5 | 30.9 | 0 | 0 | 0 | 112.9 | E767 K771 | E767-P769 WeakPolarHBondContact O-CD 3.16Å; P769-K771 VanDerWaalsContact C-N 3.35Å |
| 770 | G | 45.3 | Very low | 75 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 73% | 0.732 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -84.7 | -4.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D768 | D768-G770 PolarHBondContact O-N 2.95Å; D768-G770 VanDerWaalsContact O-N 3.15Å; D768-G770 PolarHBondContact OD1-N 3.3Å |
| 771 | K | 47 | Very low | 73 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -113.7 | 16.7 | 177.3 | -62.2 | -172.2 | -179.6 | -171.8 | 0 | 113.1 | E690 R691 D768 P769 | E690-K771 IonicContact OE1-NZ 3.62Å; E690-K771 PolarHBondContact OE1-NZ 2.82Å; E690-K771 IonicContact OE2-NZ 3.92Å; E690-K771 PolarHBondContact OE2-NZ 3.12Å; R691-K771 PolarHBondContact NH1-O 2.98Å; R691-K771 PolarHBondContact NH2-O 2.94Å; R691-K771 VanDerWaalsContact NH2-O 3.09Å; D768-K771 HydrophobicContact CB-CB 4.26Å; D768-K771 HydrophobicContact CB-CD 4.29Å; D768-K771 HydrophobicContact CB-CG 4.16Å; D768-K771 PolarHBondContact O-N 3.28Å; D768-K771 VanDerWaalsContact O-N 3.15Å; P769-K771 VanDerWaalsContact C-N 3.35Å |
| 772 | M | 37 | Very low | 70.8 | Confident | 164 Ų | 164 | 79.2 Ų | 79.2 | 81% | 0.808 | 44% | 0.435 | S | S | * | . | trans | -68 | 0 | 169.7 | -79.7 | -169.3 | 178.7 | 0 | 0 | 110.4 |
Retrieved 772 of 772 residues in 524.2 ms
(Link to these results)