| 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 | 40.8 | Very low | 80.2 | Confident | 237 Ų | 237 | 73.9 Ų | 73.9 | 100% | 1.167 | 41% | 0.408 | S | S | * | . | 0 | 152.5 | 0 | -77.5 | -174.1 | 169.7 | 0 | 0 | 108.6 | |||||
| 2 | P | 59.8 | Low | 80.4 | Confident | 107 Ų | 107 | 71.1 Ų | 71.1 | 70% | 0.695 | 39% | 0.387 | S | S | * | . | trans | -57.2 | 141.6 | 168.9 | 24.3 | -33.5 | 0 | 0 | 0 | 111 | S6 | P2-S6 VanDerWaalsContact CB-OG 3.25Å; P2-S6 WeakPolarHBondContact CB-OG 3.49Å | ||
| 3 | S | 81.3 | Confident | 80.1 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 42% | 0.42 | 40% | 0.404 | S | S | . | . | trans | -66.3 | 158.7 | 173.4 | 63.5 | 0 | 0 | 0 | 0 | 111 | I5 S6 K7 | S3-I5 PolarHBondContact O-N 2.82Å; S3-S6 PolarHBondContact N-OG 2.95Å; S3-S6 PolarHBondContact O-N 3.26Å; S3-S6 VanDerWaalsContact O-N 3.08Å; S3-S6 PolarHBondContact O-OG 3.44Å; S3-S6 WeakPolarHBondContact OG-CB 3.46Å; S3-S6 PolarHBondContact OG-N 3.14Å; S3-S6 VanDerWaalsContact OG-N 3.1Å; S3-S6 PolarHBondContact OG-OG 2.94Å; S3-K7 PolarHBondContact O-N 2.76Å | ||
| 4 | R | 85.2 | Confident | 79.5 | Confident | 99 Ų | 99 | 77.8 Ų | 77.8 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 179.4 | -57.4 | 173.9 | 167.8 | -99.6 | -12.5 | 111.1 | K7 W8 S30 K32 L33 D36 | R4-K7 PolarHBondContact O-N 2.97Å; R4-W8 VanDerWaalsContact O-CB 3.31Å; R4-W8 WeakPolarHBondContact O-CB 3.32Å; R4-W8 PolarHBondContact O-N 3.29Å; R4-S30 PolarHBondContact NH1-OG 3.47Å; R4-K32 WeakPolarHBondContact CD-O 3.29Å; R4-L33 HydrophobicContact CB-CD1 4.2Å; R4-D36 WeakPolarHBondContact CB-OD2 3.13Å; R4-D36 VanDerWaalsContact CG-OD2 3.32Å; R4-D36 WeakPolarHBondContact CG-OD2 3.49Å; R4-D36 PolarHBondContact N-OD2 2.97Å |
| 5 | I | 88.7 | Confident | 79.1 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.031 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -55.9 | -54 | 169.1 | -66.2 | 170.1 | 0 | 0 | 0 | 110.9 | S3 K7 W8 L9 D36 I37 T40 T49 V53 | S3-I5 PolarHBondContact O-N 2.82Å; I5-K7 VanDerWaalsContact C-N 3.27Å; I5-K7 PolarHBondContact O-N 2.88Å; I5-W8 PolarHBondContact O-N 3.18Å; I5-W8 VanDerWaalsContact O-N 3.12Å; I5-L9 HydrophobicContact CG2-CD1 3.68Å; I5-L9 HydrophobicContact CG2-CG 4.11Å; I5-L9 WeakPolarHBondContact O-CB 3.25Å; I5-L9 VanDerWaalsContact O-CG 3.31Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 3.15Å; I5-D36 HydrophobicContact CD1-CB 4.09Å; I5-D36 WeakPolarHBondContact CD1-O 3.26Å; I5-D36 HydrophobicContact CG1-CB 4.03Å; I5-I37 HydrophobicContact CD1-CG1 4.3Å; I5-I37 HydrophobicContact CG1-CG1 3.98Å; I5-T40 WeakPolarHBondContact CD1-OG1 3.32Å; I5-T49 HydrophobicContact CG2-CG2 4.16Å; I5-V53 HydrophobicContact CG2-CG2 3.6Å |
| 6 | S | 87.5 | Confident | 79.3 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 180 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | P2 S3 S10 | P2-S6 VanDerWaalsContact CB-OG 3.25Å; P2-S6 WeakPolarHBondContact CB-OG 3.49Å; S3-S6 PolarHBondContact N-OG 2.95Å; S3-S6 PolarHBondContact O-N 3.26Å; S3-S6 VanDerWaalsContact O-N 3.08Å; S3-S6 PolarHBondContact O-OG 3.44Å; S3-S6 WeakPolarHBondContact OG-CB 3.46Å; S3-S6 PolarHBondContact OG-N 3.14Å; S3-S6 VanDerWaalsContact OG-N 3.1Å; S3-S6 PolarHBondContact OG-OG 2.94Å; S6-S10 WeakPolarHBondContact O-CB 3.39Å; S6-S10 PolarHBondContact O-N 3.04Å; S6-S10 PolarHBondContact O-OG 3.35Å |
| 7 | K | 87.8 | Confident | 79.6 | Confident | 102 Ų | 102 | 84.2 Ų | 84.2 | 44% | 0.443 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -56.3 | 169.9 | -171.1 | -173.3 | 176.6 | -166.9 | 0 | 110.7 | S3 R4 I5 L9 S10 S11 W26 | S3-K7 PolarHBondContact O-N 2.76Å; R4-K7 PolarHBondContact O-N 2.97Å; I5-K7 VanDerWaalsContact C-N 3.27Å; I5-K7 PolarHBondContact O-N 2.88Å; K7-L9 PolarHBondContact O-N 2.95Å; K7-S10 CarbonylContact O-C 3.52Å; K7-S10 WeakPolarHBondContact O-CA 3.41Å; K7-S10 PolarHBondContact O-N 3.18Å; K7-S10 PolarHBondContact O-OG 2.78Å; K7-S11 WeakPolarHBondContact O-CB 3.2Å; K7-S11 PolarHBondContact O-N 3.35Å; K7-S11 PolarHBondContact O-OG 2.72Å; K7-S11 VanDerWaalsContact O-OG 3.07Å; K7-W26 HydrophobicContact CD-CH2 4.23Å; K7-W26 HydrophobicContact CD-CZ2 4.01Å |
| 8 | W | 91.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -54.7 | -45.8 | -178.8 | 170.7 | 78.9 | 0 | 0 | 0 | 112.9 | R4 I5 S10 S11 Y12 F23 W26 L33 I37 V53 R56 L57 F60 F71 | R4-W8 VanDerWaalsContact O-CB 3.31Å; R4-W8 WeakPolarHBondContact O-CB 3.32Å; R4-W8 PolarHBondContact O-N 3.29Å; I5-W8 PolarHBondContact O-N 3.18Å; I5-W8 VanDerWaalsContact O-N 3.12Å; W8-S10 VanDerWaalsContact C-N 3.28Å; W8-S10 PolarHBondContact O-N 2.98Å; W8-S11 PolarHBondContact O-N 3Å; W8-Y12 PolarHBondContact O-N 3.44Å; W8-F23 AromaticContact CD1-CE2 3.79Å; W8-F23 AromaticContact CD1-CZ 3.44Å; W8-F23 VanDerWaalsContact CD1-CZ 3.44Å; W8-F23 HydrophobicContact CG-CZ 4.44Å; W8-F23 AromaticContact NE1-CZ 3.56Å; W8-W26 HydrophobicContact CB-CH2 4.08Å; W8-W26 HydrophobicContact CB-CZ3 3.95Å; W8-W26 HydrophobicContact CG-CZ3 4.43Å; W8-L33 HydrophobicContact CB-CD1 3.71Å; W8-L33 HydrophobicContact CB-CD2 4.17Å; W8-L33 VanDerWaalsContact CD1-CD2 3.45Å; W8-L33 HydrophobicContact CD2-CD1 4.26Å; W8-L33 HydrophobicContact CD2-CD2 4.47Å; W8-L33 HydrophobicContact CG-CD1 3.88Å; W8-L33 HydrophobicContact CG-CD2 3.81Å; W8-L33 HydrophobicContact CG-CG 4.46Å; W8-I37 HydrophobicContact CE3-CD1 4.47Å; W8-I37 HydrophobicContact CH2-CD1 4.27Å; W8-I37 HydrophobicContact CZ2-CD1 4.39Å; W8-I37 HydrophobicContact CZ3-CD1 4.31Å; W8-V53 HydrophobicContact CH2-CG1 4.41Å; W8-V53 HydrophobicContact CZ3-CB 4.5Å; W8-V53 HydrophobicContact CZ3-CG1 4.23Å; W8-V53 HydrophobicContact CZ3-CG2 4.21Å; W8-R56 HydrophobicContact CE3-CG 4.42Å; W8-R56 HydrophobicContact CH2-CB 3.7Å; W8-R56 HydrophobicContact CH2-CG 3.5Å; W8-R56 VanDerWaalsContact CH2-CG 3.5Å; W8-R56 HydrophobicContact CZ2-CB 4.44Å; W8-R56 HydrophobicContact CZ2-CG 3.77Å; W8-R56 HydrophobicContact CZ3-CB 3.95Å; W8-R56 HydrophobicContact CZ3-CG 3.86Å; W8-L57 HydrophobicContact CH2-CD2 3.84Å; W8-L57 HydrophobicContact CH2-CG 4.06Å; W8-L57 HydrophobicContact CZ2-CD2 3.96Å; W8-F60 AromaticContact CE2-CE2 3.79Å; W8-F60 HydrophobicContact CZ2-CD2 4.16Å; W8-F60 AromaticContact CZ2-CE2 3.54Å; W8-F60 HydrophobicContact CZ2-CE2 3.54Å; W8-F60 HydrophobicContact CZ2-CZ 4.09Å; W8-F60 AromaticContact NE1-CE2 3.64Å; W8-F71 HydrophobicContact CZ2-CE1 4.2Å |
| 9 | L | 90.1 | Very high | 80.3 | Confident | 29 Ų | 29 | 83.8 Ų | 83.8 | 15% | 0.152 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60 | -35 | 174.1 | -69.6 | 173 | 0 | 0 | 0 | 112.7 | I5 K7 D52 R56 | I5-L9 HydrophobicContact CG2-CD1 3.68Å; I5-L9 HydrophobicContact CG2-CG 4.11Å; I5-L9 WeakPolarHBondContact O-CB 3.25Å; I5-L9 VanDerWaalsContact O-CG 3.31Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 3.15Å; K7-L9 PolarHBondContact O-N 2.95Å; L9-D52 HydrophobicContact CD1-CB 3.78Å; L9-D52 HydrophobicContact CD2-CB 4.31Å; L9-R56 HydrophobicContact CD2-CB 3.75Å; L9-R56 HydrophobicContact CD2-CG 4.02Å; L9-R56 VanDerWaalsContact O-CZ 3.27Å; L9-R56 PolarHBondContact O-NH1 2.96Å; L9-R56 PolarHBondContact O-NH2 2.77Å |
| 10 | S | 86 | Confident | 80.8 | Confident | 77 Ų | 77 | 80.4 Ų | 80.4 | 54% | 0.538 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -84.8 | -25.2 | 177.6 | 76.4 | 0 | 0 | 0 | 0 | 114.6 | S6 K7 W8 | S6-S10 WeakPolarHBondContact O-CB 3.39Å; S6-S10 PolarHBondContact O-N 3.04Å; S6-S10 PolarHBondContact O-OG 3.35Å; K7-S10 CarbonylContact O-C 3.52Å; K7-S10 WeakPolarHBondContact O-CA 3.41Å; K7-S10 PolarHBondContact O-N 3.18Å; K7-S10 PolarHBondContact O-OG 2.78Å; W8-S10 VanDerWaalsContact C-N 3.28Å; W8-S10 PolarHBondContact O-N 2.98Å |
| 11 | S | 84 | Confident | 81.2 | Confident | 49 Ų | 49 | 80 Ų | 80 | 34% | 0.343 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -82.5 | -33.3 | -172.8 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | K7 W8 K13 | K7-S11 WeakPolarHBondContact O-CB 3.2Å; K7-S11 PolarHBondContact O-N 3.35Å; K7-S11 PolarHBondContact O-OG 2.72Å; K7-S11 VanDerWaalsContact O-OG 3.07Å; W8-S11 PolarHBondContact O-N 3Å; S11-K13 PolarHBondContact O-N 2.99Å |
| 12 | Y | 82.3 | Confident | 83.5 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | trans | -67 | 108 | 175.7 | 172.1 | -90.5 | 0 | 0 | 0 | 110.4 | W8 P14 M20 F23 V59 F60 L68 | W8-Y12 PolarHBondContact O-N 3.44Å; Y12-P14 HydrophobicContact CE1-CG 4.49Å; Y12-M20 HydrophobicContact CD2-CE 3.92Å; Y12-M20 HydrophobicContact CD2-SD 3.97Å; Y12-M20 HydrophobicContact CE2-CE 3.52Å; Y12-M20 HydrophobicContact CE2-SD 3.72Å; Y12-F23 HydrophobicContact CD2-CD1 4.15Å; Y12-F23 AromaticContact CD2-CE1 3.86Å; Y12-F23 HydrophobicContact CD2-CE1 3.86Å; Y12-F23 HydrophobicContact CD2-CZ 4.28Å; Y12-V59 HydrophobicContact CE1-CG1 4.46Å; Y12-F60 HydrophobicContact CD1-CE1 4.08Å; Y12-F60 HydrophobicContact CD2-CD1 4.38Å; Y12-F60 AromaticContact CD2-CE1 3.37Å; Y12-F60 HydrophobicContact CD2-CE1 3.37Å; Y12-F60 AromaticContact CD2-CZ 3.73Å; Y12-F60 HydrophobicContact CD2-CZ 3.73Å; Y12-F60 HydrophobicContact CE1-CE1 4.17Å; Y12-F60 HydrophobicContact CE2-CD1 4.06Å; Y12-F60 AromaticContact CE2-CE1 3.46Å; Y12-F60 HydrophobicContact CE2-CE1 3.46Å; Y12-F60 VanDerWaalsContact CE2-CE1 3.46Å; Y12-F60 HydrophobicContact CE2-CZ 4.22Å; Y12-F60 AromaticContact CG-CE1 3.69Å; Y12-F60 HydrophobicContact CG-CE1 3.69Å; Y12-F60 HydrophobicContact CG-CZ 4.04Å; Y12-F60 AromaticContact CZ-CE1 3.87Å; Y12-L68 HydrophobicContact CE2-CD1 4.12Å | ||
| 13 | K | 76.9 | Confident | 85 | Confident | 139 Ų | 139 | 71.1 Ų | 71.1 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | trans | -134 | 113.6 | 170.6 | -65 | -178.4 | -178.4 | -179.9 | 0 | 107.4 | S11 S15 | S11-K13 PolarHBondContact O-N 2.99Å; K13-S15 PolarHBondContact O-N 3.2Å | ||
| 14 | P | 71.1 | Confident | 85.5 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | trans | -78.5 | 60.4 | -178.2 | 33.2 | -36 | 0 | 0 | 0 | 111.1 | Y12 M20 | Y12-P14 HydrophobicContact CE1-CG 4.49Å; P14-M20 HydrophobicContact CB-CE 3.82Å | ||
| 15 | S | 73.4 | Confident | 85.7 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -96.6 | -25.9 | -173.3 | -59.9 | 0 | 0 | 0 | 0 | 113.8 | K13 | K13-S15 PolarHBondContact O-N 3.2Š|
| 16 | S | 82.7 | Confident | 85.8 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | trans | -150.7 | 169.9 | 169.1 | 95.5 | 0 | 0 | 0 | 0 | 109.8 | E18 A19 M20 | S16-E18 WeakPolarHBondContact CB-OE2 3.29Å; S16-E18 PolarHBondContact OG-N 2.72Å; S16-E18 PolarHBondContact OG-OE2 2.99Å; S16-A19 PolarHBondContact OG-N 3.23Å; S16-M20 PolarHBondContact O-N 3.22Å | ||
| 17 | R | 83.9 | Confident | 86 | Confident | 187 Ų | 187 | 68.6 Ų | 68.6 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.4 | -42.4 | 176.7 | 176.9 | 178.1 | 175.5 | 165.6 | 2.3 | 111.2 | A19 M20 D21 | R17-A19 VanDerWaalsContact C-N 3.33Å; R17-A19 PolarHBondContact O-N 2.72Å; R17-M20 CarbonylContact O-C 3.54Å; R17-M20 WeakPolarHBondContact O-CA 3.38Å; R17-M20 VanDerWaalsContact O-CB 3.28Å; R17-M20 WeakPolarHBondContact O-CB 3.46Å; R17-M20 PolarHBondContact O-N 3.02Å; R17-D21 WeakPolarHBondContact CG-OD2 3.48Å; R17-D21 IonicContact NE-OD2 2.67Å; R17-D21 PolarHBondContact NE-OD2 2.99Å; R17-D21 PolarHBondContact O-N 3.24Å |
| 18 | E | 85.5 | Confident | 86.2 | Confident | 120 Ų | 120 | 64.1 Ų | 64.1 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | -178.3 | -52.6 | 67.5 | -143.4 | 0 | 0 | 110 | S16 M20 D21 E22 | S16-E18 WeakPolarHBondContact CB-OE2 3.29Å; S16-E18 PolarHBondContact OG-N 2.72Å; S16-E18 PolarHBondContact OG-OE2 2.99Å; E18-M20 PolarHBondContact O-N 3.3Å; E18-D21 PolarHBondContact O-N 3.01Å; E18-E22 WeakPolarHBondContact O-CB 3.38Å; E18-E22 WeakPolarHBondContact O-CG 3.24Å; E18-E22 PolarHBondContact O-N 3.28Å |
| 19 | A | 87 | Confident | 86 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -27.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S16 R17 F23 | S16-A19 PolarHBondContact OG-N 3.23Å; R17-A19 VanDerWaalsContact C-N 3.33Å; R17-A19 PolarHBondContact O-N 2.72Å; A19-F23 WeakPolarHBondContact O-CB 3.44Å; A19-F23 PolarHBondContact O-N 3.24Å; A19-F23 VanDerWaalsContact O-N 3.11Å |
| 20 | M | 89.7 | Confident | 86 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -77 | -42.9 | 174.1 | -166.5 | 59.9 | 57.6 | 0 | 0 | 111.6 | Y12 P14 S16 R17 E18 F23 I24 L65 L68 | Y12-M20 HydrophobicContact CD2-CE 3.92Å; Y12-M20 HydrophobicContact CD2-SD 3.97Å; Y12-M20 HydrophobicContact CE2-CE 3.52Å; Y12-M20 HydrophobicContact CE2-SD 3.72Å; P14-M20 HydrophobicContact CB-CE 3.82Å; S16-M20 PolarHBondContact O-N 3.22Å; R17-M20 CarbonylContact O-C 3.54Å; R17-M20 WeakPolarHBondContact O-CA 3.38Å; R17-M20 VanDerWaalsContact O-CB 3.28Å; R17-M20 WeakPolarHBondContact O-CB 3.46Å; R17-M20 PolarHBondContact O-N 3.02Å; E18-M20 PolarHBondContact O-N 3.3Å; M20-F23 PolarHBondContact O-N 2.77Å; M20-F23 HydrophobicContact SD-CD1 4.22Å; M20-I24 HydrophobicContact CG-CD1 3.94Å; M20-I24 WeakPolarHBondContact O-CB 3.41Å; M20-I24 WeakPolarHBondContact O-CD1 3.46Å; M20-I24 VanDerWaalsContact O-CG1 3.23Å; M20-I24 WeakPolarHBondContact O-CG1 3.35Å; M20-I24 PolarHBondContact O-N 3.31Å; M20-L65 HydrophobicContact CG-CD1 4.05Å; M20-L68 HydrophobicContact SD-CD1 4.22Å |
| 21 | D | 89.3 | Confident | 86.1 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.7 | -69.3 | -27.3 | 0 | 0 | 0 | 111 | R17 E18 T25 | R17-D21 WeakPolarHBondContact CG-OD2 3.48Å; R17-D21 IonicContact NE-OD2 2.67Å; R17-D21 PolarHBondContact NE-OD2 2.99Å; R17-D21 PolarHBondContact O-N 3.24Å; E18-D21 PolarHBondContact O-N 3.01Å; D21-T25 WeakPolarHBondContact O-CB 3.41Å; D21-T25 PolarHBondContact O-N 3.08Å; D21-T25 PolarHBondContact O-OG1 3.23Å |
| 22 | E | 89.7 | Confident | 86.3 | Confident | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.7 | -46.1 | 167.4 | -76.9 | -174.3 | -177.5 | 0 | 0 | 112.2 | E18 T25 W26 | E18-E22 WeakPolarHBondContact O-CB 3.38Å; E18-E22 WeakPolarHBondContact O-CG 3.24Å; E18-E22 PolarHBondContact O-N 3.28Å; E22-T25 PolarHBondContact O-N 3.32Å; E22-W26 WeakPolarHBondContact O-CB 3.31Å; E22-W26 PolarHBondContact O-N 3.1Å |
| 23 | F | 91.5 | Very high | 86.8 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.9 | 172.4 | -95 | 0 | 0 | 0 | 112 | W8 Y12 A19 M20 W26 M27 F60 L68 | W8-F23 AromaticContact CD1-CE2 3.79Å; W8-F23 AromaticContact CD1-CZ 3.44Å; W8-F23 VanDerWaalsContact CD1-CZ 3.44Å; W8-F23 HydrophobicContact CG-CZ 4.44Å; W8-F23 AromaticContact NE1-CZ 3.56Å; Y12-F23 HydrophobicContact CD2-CD1 4.15Å; Y12-F23 AromaticContact CD2-CE1 3.86Å; Y12-F23 HydrophobicContact CD2-CE1 3.86Å; Y12-F23 HydrophobicContact CD2-CZ 4.28Å; A19-F23 WeakPolarHBondContact O-CB 3.44Å; A19-F23 PolarHBondContact O-N 3.24Å; A19-F23 VanDerWaalsContact O-N 3.11Å; M20-F23 PolarHBondContact O-N 2.77Å; M20-F23 HydrophobicContact SD-CD1 4.22Å; F23-W26 HydrophobicContact CD2-CE3 4.45Å; F23-W26 HydrophobicContact CE2-CE3 4.41Å; F23-W26 HydrophobicContact CE2-CZ3 4.4Å; F23-W26 PolarHBondContact O-N 3Å; F23-M27 HydrophobicContact CE1-SD 4.05Å; F23-M27 HydrophobicContact CZ-SD 4.38Å; F23-M27 VanDerWaalsContact O-CB 3.22Å; F23-M27 WeakPolarHBondContact O-CB 3.3Å; F23-M27 PolarHBondContact O-N 3.02Å; F23-F60 AromaticContact CE1-CE2 3.88Å; F23-F60 HydrophobicContact CE1-CE2 3.88Å; F23-F60 AromaticContact CE1-CZ 3.56Å; F23-F60 HydrophobicContact CE1-CZ 3.56Å; F23-F60 HydrophobicContact CZ-CE2 4.07Å; F23-F60 AromaticContact CZ-CZ 3.64Å; F23-F60 HydrophobicContact CZ-CZ 3.64Å; F23-L68 HydrophobicContact CE1-CD2 4.46Å |
| 24 | I | 91.6 | Very high | 87.6 | Confident | 20 Ų | 20 | 63 Ų | 63 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 174.6 | -72.7 | 161.6 | 0 | 0 | 0 | 109.9 | M20 W26 M27 Y28 A67 L68 | M20-I24 HydrophobicContact CG-CD1 3.94Å; M20-I24 WeakPolarHBondContact O-CB 3.41Å; M20-I24 WeakPolarHBondContact O-CD1 3.46Å; M20-I24 VanDerWaalsContact O-CG1 3.23Å; M20-I24 WeakPolarHBondContact O-CG1 3.35Å; M20-I24 PolarHBondContact O-N 3.31Å; I24-W26 VanDerWaalsContact C-N 3.35Å; I24-W26 PolarHBondContact O-N 3.49Å; I24-M27 PolarHBondContact O-N 3.03Å; I24-Y28 HydrophobicContact CG2-CD2 3.94Å; I24-Y28 HydrophobicContact CG2-CE2 4.18Å; I24-Y28 WeakPolarHBondContact O-CD2 3.22Å; I24-Y28 PolarHBondContact O-N 3Å; I24-A67 HydrophobicContact CD1-CB 4.08Å; I24-A67 HydrophobicContact CG1-CB 4.4Å; I24-A67 HydrophobicContact CG2-CB 3.73Å; I24-L68 HydrophobicContact CD1-CD2 4.33Å; I24-L68 HydrophobicContact CD1-CG 4.49Å; I24-L68 HydrophobicContact CG1-CD2 3.79Å; I24-L68 HydrophobicContact CG1-CG 4.48Å |
| 25 | T | 90.1 | Very high | 88.6 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | D21 E22 S29 | D21-T25 WeakPolarHBondContact O-CB 3.41Å; D21-T25 PolarHBondContact O-N 3.08Å; D21-T25 PolarHBondContact O-OG1 3.23Å; E22-T25 PolarHBondContact O-N 3.32Å; T25-S29 VanDerWaalsContact O-CB 3.25Å; T25-S29 WeakPolarHBondContact O-CB 3.4Å; T25-S29 PolarHBondContact O-N 3.38Å; T25-S29 PolarHBondContact O-OG 2.95Å |
| 26 | W | 90.8 | Very high | 89.5 | Confident | 72 Ų | 72 | 59 Ų | 59 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.1 | 175.5 | 71.5 | 0 | 0 | 0 | 112.6 | K7 W8 E22 F23 I24 S29 S30 L33 | K7-W26 HydrophobicContact CD-CH2 4.23Å; K7-W26 HydrophobicContact CD-CZ2 4.01Å; W8-W26 HydrophobicContact CB-CH2 4.08Å; W8-W26 HydrophobicContact CB-CZ3 3.95Å; W8-W26 HydrophobicContact CG-CZ3 4.43Å; E22-W26 WeakPolarHBondContact O-CB 3.31Å; E22-W26 PolarHBondContact O-N 3.1Å; F23-W26 HydrophobicContact CD2-CE3 4.45Å; F23-W26 HydrophobicContact CE2-CE3 4.41Å; F23-W26 HydrophobicContact CE2-CZ3 4.4Å; F23-W26 PolarHBondContact O-N 3Å; I24-W26 VanDerWaalsContact C-N 3.35Å; I24-W26 PolarHBondContact O-N 3.49Å; W26-S29 PolarHBondContact O-N 2.87Å; W26-S30 WeakPolarHBondContact O-CB 3.33Å; W26-S30 PolarHBondContact O-N 3.49Å; W26-L33 HydrophobicContact CH2-CD2 4.36Å; W26-L33 HydrophobicContact CZ3-CD2 4.21Å |
| 27 | M | 92 | Very high | 90 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -48.9 | -179.6 | -178.9 | 179.7 | 70.2 | 0 | 0 | 111.5 | F23 I24 S30 L33 F60 L68 F71 | F23-M27 HydrophobicContact CE1-SD 4.05Å; F23-M27 HydrophobicContact CZ-SD 4.38Å; F23-M27 VanDerWaalsContact O-CB 3.22Å; F23-M27 WeakPolarHBondContact O-CB 3.3Å; F23-M27 PolarHBondContact O-N 3.02Å; I24-M27 PolarHBondContact O-N 3.03Å; M27-S30 PolarHBondContact O-N 3.07Å; M27-L33 HydrophobicContact CG-CD2 4.01Å; M27-F60 HydrophobicContact SD-CD2 4.34Å; M27-F60 HydrophobicContact SD-CE2 3.79Å; M27-L68 HydrophobicContact CE-CD2 3.8Å; M27-F71 HydrophobicContact CE-CB 3.59Å; M27-F71 HydrophobicContact CE-CD1 4.01Å; M27-F71 HydrophobicContact CE-CD2 3.64Å; M27-F71 HydrophobicContact CE-CE2 4.33Å; M27-F71 HydrophobicContact CE-CG 3.46Å; M27-F71 VanDerWaalsContact CE-CG 3.46Å; M27-F71 HydrophobicContact CG-CD2 3.81Å; M27-F71 HydrophobicContact CG-CE1 4.28Å; M27-F71 HydrophobicContact CG-CE2 3.53Å; M27-F71 HydrophobicContact CG-CG 4.32Å; M27-F71 HydrophobicContact CG-CZ 3.78Å; M27-F71 HydrophobicContact SD-CB 4.41Å; M27-F71 HydrophobicContact SD-CD1 3.66Å; M27-F71 HydrophobicContact SD-CD2 3.81Å; M27-F71 HydrophobicContact SD-CE1 3.77Å; M27-F71 HydrophobicContact SD-CE2 3.93Å; M27-F71 HydrophobicContact SD-CG 3.68Å; M27-F71 HydrophobicContact SD-CZ 3.91Å |
| 28 | Y | 91.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -35.3 | 176.6 | -88.9 | -86.8 | 0 | 0 | 0 | 113 | I24 S30 A67 N70 F71 I214 M215 L218 | I24-Y28 HydrophobicContact CG2-CD2 3.94Å; I24-Y28 HydrophobicContact CG2-CE2 4.18Å; I24-Y28 WeakPolarHBondContact O-CD2 3.22Å; I24-Y28 PolarHBondContact O-N 3Å; Y28-S30 PolarHBondContact O-N 2.85Å; Y28-A67 HydrophobicContact CE2-CB 4.37Å; Y28-A67 PolarHBondContact OH-O 3.11Å; Y28-N70 WeakPolarHBondContact OH-CB 3.46Å; Y28-F71 HydrophobicContact CE2-CB 4.29Å; Y28-F71 PolarHBondContact OH-N 2.87Å; Y28-I214 WeakPolarHBondContact CD1-O 3.43Å; Y28-I214 HydrophobicContact CG-CG2 4.23Å; Y28-M215 HydrophobicContact CD1-CB 4.34Å; Y28-M215 HydrophobicContact CD1-CG 3.99Å; Y28-M215 HydrophobicContact CE1-CB 4Å; Y28-M215 HydrophobicContact CE1-CE 4.38Å; Y28-M215 HydrophobicContact CE1-CG 3.59Å; Y28-M215 HydrophobicContact CE1-SD 4.13Å; Y28-M215 HydrophobicContact CE2-CE 4.24Å; Y28-L218 HydrophobicContact CD1-CB 4.34Å; Y28-L218 HydrophobicContact CD1-CD2 4.05Å; Y28-L218 HydrophobicContact CE1-CB 4.41Å; Y28-L218 HydrophobicContact CE1-CD2 3.69Å |
| 29 | S | 88 | Confident | 90.8 | Very high | 85 Ų | 85 | 46 Ų | 46 | 59% | 0.594 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6 | 177 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | T25 W26 | T25-S29 VanDerWaalsContact O-CB 3.25Å; T25-S29 WeakPolarHBondContact O-CB 3.4Å; T25-S29 PolarHBondContact O-N 3.38Å; T25-S29 PolarHBondContact O-OG 2.95Å; W26-S29 PolarHBondContact O-N 2.87Å |
| 30 | S | 89.5 | Confident | 91.1 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | trans | -107.2 | 75.8 | -173.6 | -149.7 | 0 | 0 | 0 | 0 | 112.4 | R4 W26 M27 Y28 K32 L33 | R4-S30 PolarHBondContact NH1-OG 3.47Å; W26-S30 WeakPolarHBondContact O-CB 3.33Å; W26-S30 PolarHBondContact O-N 3.49Å; M27-S30 PolarHBondContact O-N 3.07Å; Y28-S30 PolarHBondContact O-N 2.85Å; S30-K32 PolarHBondContact O-N 2.84Å; S30-K32 VanDerWaalsContact O-N 3.08Å; S30-L33 WeakPolarHBondContact O-CA 3.32Å; S30-L33 VanDerWaalsContact O-CB 3.28Å; S30-L33 WeakPolarHBondContact O-CB 3.37Å; S30-L33 PolarHBondContact O-N 3.12Å | ||
| 31 | N | 86.9 | Confident | 91.2 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -47.4 | -42.7 | 174.4 | -56.7 | 17.7 | 0 | 0 | 0 | 111.9 | L33 V34 D35 | N31-L33 PolarHBondContact O-N 2.96Å; N31-L33 VanDerWaalsContact O-N 3.17Å; N31-V34 WeakPolarHBondContact O-CA 3.21Å; N31-V34 VanDerWaalsContact O-CB 3.23Å; N31-V34 WeakPolarHBondContact O-CB 3.36Å; N31-V34 PolarHBondContact O-N 3.42Å; N31-D35 PolarHBondContact O-N 3.3Å |
| 32 | K | 89.9 | Confident | 91.3 | Very high | 122 Ų | 122 | 45 Ų | 45 | 53% | 0.53 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.1 | -15.2 | 178.3 | -65.7 | -177.9 | 176.9 | -177.1 | 0 | 115.2 | R4 S30 D35 D36 | R4-K32 WeakPolarHBondContact CD-O 3.29Å; S30-K32 PolarHBondContact O-N 2.84Å; S30-K32 VanDerWaalsContact O-N 3.08Å; K32-D35 WeakPolarHBondContact CA-OD2 3.21Å; K32-D36 WeakPolarHBondContact O-CB 3.35Å; K32-D36 PolarHBondContact O-N 3.37Å; K32-D36 VanDerWaalsContact O-N 3.08Å; K32-D36 VanDerWaalsContact O-OD1 3.11Å |
| 33 | L | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76 | -38.9 | 168 | 175.3 | 64.7 | 0 | 0 | 0 | 110.5 | R4 W8 W26 M27 S30 N31 I37 | R4-L33 HydrophobicContact CB-CD1 4.2Å; W8-L33 HydrophobicContact CB-CD1 3.71Å; W8-L33 HydrophobicContact CB-CD2 4.17Å; W8-L33 VanDerWaalsContact CD1-CD2 3.45Å; W8-L33 HydrophobicContact CD2-CD1 4.26Å; W8-L33 HydrophobicContact CD2-CD2 4.47Å; W8-L33 HydrophobicContact CG-CD1 3.88Å; W8-L33 HydrophobicContact CG-CD2 3.81Å; W8-L33 HydrophobicContact CG-CG 4.46Å; W26-L33 HydrophobicContact CH2-CD2 4.36Å; W26-L33 HydrophobicContact CZ3-CD2 4.21Å; M27-L33 HydrophobicContact CG-CD2 4.01Å; S30-L33 WeakPolarHBondContact O-CA 3.32Å; S30-L33 VanDerWaalsContact O-CB 3.28Å; S30-L33 WeakPolarHBondContact O-CB 3.37Å; S30-L33 PolarHBondContact O-N 3.12Å; N31-L33 PolarHBondContact O-N 2.96Å; N31-L33 VanDerWaalsContact O-N 3.17Å; L33-I37 HydrophobicContact CD1-CD1 3.91Å; L33-I37 HydrophobicContact CD1-CG1 4.27Å; L33-I37 HydrophobicContact CG-CD1 3.92Å; L33-I37 WeakPolarHBondContact O-CB 3.39Å; L33-I37 WeakPolarHBondContact O-CD1 3.33Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3.07Å |
| 34 | V | 92.6 | Very high | 91 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 172.8 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | N31 I37 E38 F71 L75 L218 | N31-V34 WeakPolarHBondContact O-CA 3.21Å; N31-V34 VanDerWaalsContact O-CB 3.23Å; N31-V34 WeakPolarHBondContact O-CB 3.36Å; N31-V34 PolarHBondContact O-N 3.42Å; V34-I37 PolarHBondContact O-N 3.33Å; V34-E38 HydrophobicContact CG1-CG 4.45Å; V34-E38 WeakPolarHBondContact O-CB 3.11Å; V34-E38 WeakPolarHBondContact O-CG 3.32Å; V34-E38 PolarHBondContact O-N 3.18Å; V34-F71 HydrophobicContact CG2-CE2 4.44Å; V34-L75 HydrophobicContact CG1-CD2 3.95Å; V34-L218 HydrophobicContact CG1-CD1 4.02Å; V34-L218 HydrophobicContact CG2-CD1 3.87Å |
| 35 | D | 92.3 | Very high | 90.4 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.3 | -52.2 | 175.1 | -57.3 | -42.6 | 0 | 0 | 0 | 111.7 | N31 K32 I37 E38 E39 | N31-D35 PolarHBondContact O-N 3.3Å; K32-D35 WeakPolarHBondContact CA-OD2 3.21Å; D35-I37 VanDerWaalsContact C-N 3.32Å; D35-I37 PolarHBondContact O-N 2.83Å; D35-E38 PolarHBondContact O-N 2.81Å; D35-E39 WeakPolarHBondContact O-CB 3.38Å; D35-E39 PolarHBondContact O-N 3.37Å |
| 36 | D | 92.6 | Very high | 90.1 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 178.2 | -80.4 | 18.4 | 0 | 0 | 0 | 111.5 | R4 I5 K32 T40 | R4-D36 WeakPolarHBondContact CB-OD2 3.13Å; R4-D36 VanDerWaalsContact CG-OD2 3.32Å; R4-D36 WeakPolarHBondContact CG-OD2 3.49Å; R4-D36 PolarHBondContact N-OD2 2.97Å; I5-D36 HydrophobicContact CD1-CB 4.09Å; I5-D36 WeakPolarHBondContact CD1-O 3.26Å; I5-D36 HydrophobicContact CG1-CB 4.03Å; K32-D36 WeakPolarHBondContact O-CB 3.35Å; K32-D36 PolarHBondContact O-N 3.37Å; K32-D36 VanDerWaalsContact O-N 3.08Å; K32-D36 VanDerWaalsContact O-OD1 3.11Å; D36-T40 PolarHBondContact O-N 2.86Å; D36-T40 VanDerWaalsContact O-N 3.11Å; D36-T40 PolarHBondContact O-OG1 3.4Å |
| 37 | I | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -48.8 | 179.5 | -74 | 169.7 | 0 | 0 | 0 | 110.8 | I5 W8 L33 V34 D35 E39 T40 F41 V53 F71 L75 | I5-I37 HydrophobicContact CD1-CG1 4.3Å; I5-I37 HydrophobicContact CG1-CG1 3.98Å; W8-I37 HydrophobicContact CE3-CD1 4.47Å; W8-I37 HydrophobicContact CH2-CD1 4.27Å; W8-I37 HydrophobicContact CZ2-CD1 4.39Å; W8-I37 HydrophobicContact CZ3-CD1 4.31Å; L33-I37 HydrophobicContact CD1-CD1 3.91Å; L33-I37 HydrophobicContact CD1-CG1 4.27Å; L33-I37 HydrophobicContact CG-CD1 3.92Å; L33-I37 WeakPolarHBondContact O-CB 3.39Å; L33-I37 WeakPolarHBondContact O-CD1 3.33Å; L33-I37 WeakPolarHBondContact O-CG1 3.46Å; L33-I37 PolarHBondContact O-N 3.07Å; V34-I37 PolarHBondContact O-N 3.33Å; D35-I37 VanDerWaalsContact C-N 3.32Å; D35-I37 PolarHBondContact O-N 2.83Å; I37-E39 PolarHBondContact O-N 2.85Å; I37-T40 WeakPolarHBondContact O-CB 3.48Å; I37-T40 PolarHBondContact O-N 3.46Å; I37-F41 HydrophobicContact CG2-CD2 4.08Å; I37-F41 HydrophobicContact CG2-CE2 3.93Å; I37-F41 VanDerWaalsContact O-CD2 3.25Å; I37-F41 WeakPolarHBondContact O-CD2 3.33Å; I37-F41 PolarHBondContact O-N 3.01Å; I37-V53 HydrophobicContact CG2-CG1 4.32Å; I37-F71 HydrophobicContact CD1-CZ 4.31Å; I37-L75 HydrophobicContact CG2-CD1 4.36Å |
| 38 | E | 93.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 178.1 | -71.6 | -176.3 | 156.1 | 0 | 0 | 111.4 | V34 D35 T40 F41 E42 S78 H221 R225 | V34-E38 HydrophobicContact CG1-CG 4.45Å; V34-E38 WeakPolarHBondContact O-CB 3.11Å; V34-E38 WeakPolarHBondContact O-CG 3.32Å; V34-E38 PolarHBondContact O-N 3.18Å; D35-E38 PolarHBondContact O-N 2.81Å; E38-T40 PolarHBondContact O-N 3.4Å; E38-F41 PolarHBondContact O-N 3.36Å; E38-F41 VanDerWaalsContact O-N 3.16Å; E38-E42 VanDerWaalsContact O-CB 3.26Å; E38-E42 WeakPolarHBondContact O-CB 3.33Å; E38-E42 PolarHBondContact O-N 3.28Å; E38-S78 VanDerWaalsContact OE1-CB 3.25Å; E38-S78 WeakPolarHBondContact OE1-CB 3.38Å; E38-S78 PolarHBondContact OE1-OG 3.19Å; E38-H221 IonicContact OE1-CD2 3.44Å; E38-H221 IonicContact OE1-CE1 2.77Å; E38-H221 IonicContact OE1-NE2 2.7Å; E38-H221 PolarHBondContact OE1-NE2 3.45Å; E38-H221 IonicContact OE2-CE1 2.76Å; E38-H221 PolarHBondContact OE2-CE1 2.87Å; E38-H221 VanDerWaalsContact OE2-CE1 3.27Å; E38-H221 IonicContact OE2-NE2 3.2Å; E38-H221 PolarHBondContact OE2-NE2 3.41Å; E38-R225 IonicContact OE1-NE 2.73Å; E38-R225 PolarHBondContact OE1-NE 3.07Å; E38-R225 IonicContact OE2-CZ 3.36Å; E38-R225 IonicContact OE2-NE 3.22Å; E38-R225 PolarHBondContact OE2-NE 3.04Å; E38-R225 IonicContact OE2-NH2 2.68Å; E38-R225 PolarHBondContact OE2-NH2 3.46Å |
| 39 | E | 92.1 | Very high | 89.8 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.4 | -36.5 | 174.9 | 175.9 | 168.5 | 133.8 | 0 | 0 | 112.3 | D35 I37 R43 I45 | D35-E39 WeakPolarHBondContact O-CB 3.38Å; D35-E39 PolarHBondContact O-N 3.37Å; I37-E39 PolarHBondContact O-N 2.85Å; E39-R43 VanDerWaalsContact CG-CZ 3.45Å; E39-R43 WeakPolarHBondContact O-CB 3.25Å; E39-R43 PolarHBondContact O-N 3.05Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 3.47Å; E39-R43 IonicContact OE1-NH1 2.69Å; E39-R43 PolarHBondContact OE1-NH1 3.3Å; E39-R43 IonicContact OE1-NH2 2.61Å; E39-R43 PolarHBondContact OE1-NH2 3.45Å; E39-R43 IonicContact OE2-CZ 2.91Å; E39-R43 IonicContact OE2-NH1 3.45Å; E39-R43 PolarHBondContact OE2-NH1 3.46Å; E39-R43 IonicContact OE2-NH2 2.74Å; E39-R43 PolarHBondContact OE2-NH2 3.37Å; E39-I45 HydrophobicContact CG-CD1 4.31Å |
| 40 | T | 92.1 | Very high | 90 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | I5 D36 I37 E38 L44 I45 T49 I50 | I5-T40 WeakPolarHBondContact CD1-OG1 3.32Å; D36-T40 PolarHBondContact O-N 2.86Å; D36-T40 VanDerWaalsContact O-N 3.11Å; D36-T40 PolarHBondContact O-OG1 3.4Å; I37-T40 WeakPolarHBondContact O-CB 3.48Å; I37-T40 PolarHBondContact O-N 3.46Å; E38-T40 PolarHBondContact O-N 3.4Å; T40-L44 WeakPolarHBondContact O-CA 3.49Å; T40-L44 PolarHBondContact O-N 2.91Å; T40-L44 VanDerWaalsContact O-N 3.16Å; T40-I45 PolarHBondContact O-N 3.43Å; T40-T49 HydrophobicContact CG2-CG2 4.05Å; T40-I50 HydrophobicContact CG2-CG1 3.94Å |
| 41 | F | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -83.5 | -35.2 | 177.3 | -70.7 | -70.9 | 0 | 0 | 0 | 113.2 | I37 E38 R43 L44 I50 V53 L57 L79 L119 | I37-F41 HydrophobicContact CG2-CD2 4.08Å; I37-F41 HydrophobicContact CG2-CE2 3.93Å; I37-F41 VanDerWaalsContact O-CD2 3.25Å; I37-F41 WeakPolarHBondContact O-CD2 3.33Å; I37-F41 PolarHBondContact O-N 3.01Å; E38-F41 PolarHBondContact O-N 3.36Å; E38-F41 VanDerWaalsContact O-N 3.16Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 2.97Å; F41-L44 WeakPolarHBondContact O-CD2 3.15Å; F41-L44 PolarHBondContact O-N 3.46Å; F41-I50 HydrophobicContact CE1-CG1 4.5Å; F41-I50 HydrophobicContact CE1-CG2 4Å; F41-V53 HydrophobicContact CE2-CG1 3.62Å; F41-V53 HydrophobicContact CZ-CB 4.33Å; F41-V53 HydrophobicContact CZ-CG1 3.75Å; F41-L57 HydrophobicContact CE2-CD1 4.37Å; F41-L79 HydrophobicContact CB-CD2 4.06Å; F41-L79 HydrophobicContact CD1-CD2 4.12Å; F41-L79 HydrophobicContact CD2-CD2 3.17Å; F41-L79 HydrophobicContact CE1-CD2 4.35Å; F41-L79 HydrophobicContact CE2-CD2 3.47Å; F41-L79 VanDerWaalsContact CE2-CD2 3.47Å; F41-L79 HydrophobicContact CG-CD2 3.53Å; F41-L79 HydrophobicContact CZ-CD2 4.06Å; F41-L119 HydrophobicContact CD1-CD1 3.89Å; F41-L119 HydrophobicContact CD1-CD2 4.21Å; F41-L119 HydrophobicContact CD1-CG 4.48Å; F41-L119 HydrophobicContact CE1-CD1 3.88Å |
| 42 | E | 90.7 | Very high | 90.5 | Very high | 98 Ų | 98 | 50 Ų | 50 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 178 | -175.4 | 168.7 | 178.8 | 0 | 0 | 111 | E38 H86 | E38-E42 VanDerWaalsContact O-CB 3.26Å; E38-E42 WeakPolarHBondContact O-CB 3.33Å; E38-E42 PolarHBondContact O-N 3.28Å; E42-H86 PolarHBondContact O-CE1 3.48Å; E42-H86 PolarHBondContact O-NE2 3.11Å |
| 43 | R | 88.4 | Confident | 90.7 | Very high | 153 Ų | 153 | 44.2 Ų | 44.2 | 58% | 0.577 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -3.1 | 178.1 | -59 | -173.3 | -166.6 | 137.6 | 17.2 | 115.2 | E39 F41 I45 | E39-R43 VanDerWaalsContact CG-CZ 3.45Å; E39-R43 WeakPolarHBondContact O-CB 3.25Å; E39-R43 PolarHBondContact O-N 3.05Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 3.47Å; E39-R43 IonicContact OE1-NH1 2.69Å; E39-R43 PolarHBondContact OE1-NH1 3.3Å; E39-R43 IonicContact OE1-NH2 2.61Å; E39-R43 PolarHBondContact OE1-NH2 3.45Å; E39-R43 IonicContact OE2-CZ 2.91Å; E39-R43 IonicContact OE2-NH1 3.45Å; E39-R43 PolarHBondContact OE2-NH1 3.46Å; E39-R43 IonicContact OE2-NH2 2.74Å; E39-R43 PolarHBondContact OE2-NH2 3.37Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 2.97Å; R43-I45 VanDerWaalsContact C-N 3.3Å; R43-I45 HydrophobicContact CB-CD1 4.36Å; R43-I45 HydrophobicContact CB-CG1 3.67Å; R43-I45 PolarHBondContact O-N 3.19Å |
| 44 | L | 87.1 | Confident | 90.7 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.4 | 49.6 | -172.8 | -65.7 | 178 | 0 | 0 | 0 | 113.8 | T40 F41 S46 I50 H86 F112 L116 L119 | T40-L44 WeakPolarHBondContact O-CA 3.49Å; T40-L44 PolarHBondContact O-N 2.91Å; T40-L44 VanDerWaalsContact O-N 3.16Å; F41-L44 WeakPolarHBondContact O-CD2 3.15Å; F41-L44 PolarHBondContact O-N 3.46Å; L44-S46 PolarHBondContact O-N 2.83Å; L44-I50 HydrophobicContact CB-CD1 4.19Å; L44-I50 HydrophobicContact CD2-CD1 3.84Å; L44-H86 HydrophobicContact CD1-CB 4.26Å; L44-H86 VanDerWaalsContact CD1-CD2 3.46Å; L44-H86 WeakPolarHBondContact CD1-CD2 3.19Å; L44-F112 HydrophobicContact CB-CD2 4.23Å; L44-F112 HydrophobicContact CB-CE2 4.31Å; L44-F112 HydrophobicContact CD1-CD2 4.01Å; L44-F112 HydrophobicContact CD1-CE1 4.42Å; L44-F112 HydrophobicContact CD1-CE2 3.62Å; L44-F112 HydrophobicContact CD1-CZ 3.85Å; L44-F112 HydrophobicContact CG-CE2 4.45Å; L44-L116 HydrophobicContact CD1-CB 4.14Å; L44-L116 HydrophobicContact CD1-CD1 4.35Å; L44-L119 HydrophobicContact CD2-CD2 4.43Å |
| 45 | I | 78.2 | Confident | 90.8 | Very high | 95 Ų | 95 | 49.7 Ų | 49.7 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | trans | -59.5 | -43.5 | -159.7 | -56.9 | 178.8 | 0 | 0 | 0 | 114.4 | E39 T40 R43 | E39-I45 HydrophobicContact CG-CD1 4.31Å; T40-I45 PolarHBondContact O-N 3.43Å; R43-I45 VanDerWaalsContact C-N 3.3Å; R43-I45 HydrophobicContact CB-CD1 4.36Å; R43-I45 HydrophobicContact CB-CG1 3.67Å; R43-I45 PolarHBondContact O-N 3.19Å | ||
| 46 | S | 84.4 | Confident | 90.9 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | trans | -156.5 | 140.8 | 171.1 | 83.6 | 0 | 0 | 0 | 0 | 111.6 | L44 N48 T49 I50 | L44-S46 PolarHBondContact O-N 2.83Å; S46-N48 PolarHBondContact O-N 2.6Å; S46-T49 PolarHBondContact O-N 3.33Å; S46-T49 PolarHBondContact OG-N 2.69Å; S46-T49 PolarHBondContact OG-OG1 3.45Å; S46-I50 WeakPolarHBondContact O-CB 3.31Å; S46-I50 WeakPolarHBondContact O-CD1 3.41Å; S46-I50 VanDerWaalsContact O-CG1 3.29Å; S46-I50 WeakPolarHBondContact O-CG1 3.34Å; S46-I50 PolarHBondContact O-N 3.38Å | ||
| 47 | S | 87.2 | Confident | 91 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -35.5 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | S51 S115 L118 | S47-S51 VanDerWaalsContact O-CB 3.3Å; S47-S51 WeakPolarHBondContact O-CB 3.49Å; S47-S51 PolarHBondContact O-N 3.11Å; S47-S115 WeakPolarHBondContact CA-OG 3.03Å; S47-S115 PolarHBondContact N-OG 2.81Å; S47-L118 WeakPolarHBondContact O-CD1 2.77Å |
| 48 | N | 90.2 | Very high | 91.1 | Very high | 121 Ų | 121 | 48.8 Ų | 48.8 | 65% | 0.647 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.9 | -53.9 | 177.8 | -68.1 | -2.5 | 0 | 0 | 0 | 111.5 | S46 I50 S51 D52 | S46-N48 PolarHBondContact O-N 2.6Å; N48-I50 VanDerWaalsContact C-N 3.27Å; N48-I50 PolarHBondContact O-N 3.5Å; N48-S51 WeakPolarHBondContact O-CB 3.33Å; N48-S51 PolarHBondContact O-N 3.26Å; N48-D52 PolarHBondContact O-N 3.25Å |
| 49 | T | 90.9 | Very high | 91.1 | Very high | 47 Ų | 47 | 52 Ų | 52 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 178.6 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | I5 T40 S46 D52 V53 | I5-T49 HydrophobicContact CG2-CG2 4.16Å; T40-T49 HydrophobicContact CG2-CG2 4.05Å; S46-T49 PolarHBondContact O-N 3.33Å; S46-T49 PolarHBondContact OG-N 2.69Å; S46-T49 PolarHBondContact OG-OG1 3.45Å; T49-D52 PolarHBondContact O-N 3.16Å; T49-V53 HydrophobicContact CG2-CG2 4.32Å; T49-V53 WeakPolarHBondContact O-CB 3.5Å; T49-V53 WeakPolarHBondContact O-CG2 3.25Å; T49-V53 PolarHBondContact O-N 3.44Å |
| 50 | I | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 176.2 | -73.4 | 164 | 0 | 0 | 0 | 110.8 | T40 F41 L44 S46 N48 V53 C54 L118 | T40-I50 HydrophobicContact CG2-CG1 3.94Å; F41-I50 HydrophobicContact CE1-CG1 4.5Å; F41-I50 HydrophobicContact CE1-CG2 4Å; L44-I50 HydrophobicContact CB-CD1 4.19Å; L44-I50 HydrophobicContact CD2-CD1 3.84Å; S46-I50 WeakPolarHBondContact O-CB 3.31Å; S46-I50 WeakPolarHBondContact O-CD1 3.41Å; S46-I50 VanDerWaalsContact O-CG1 3.29Å; S46-I50 WeakPolarHBondContact O-CG1 3.34Å; S46-I50 PolarHBondContact O-N 3.38Å; N48-I50 VanDerWaalsContact C-N 3.27Å; N48-I50 PolarHBondContact O-N 3.5Å; I50-V53 PolarHBondContact O-N 3.16Å; I50-C54 WeakPolarHBondContact O-CB 3.41Å; I50-C54 PolarHBondContact O-N 3.3Å; I50-C54 PolarHBondContact O-SG 2.78Å; I50-C54 VanDerWaalsContact O-SG 3.37Å; I50-L118 HydrophobicContact CG2-CB 4.03Å |
| 51 | S | 92.9 | Very high | 91.3 | Very high | 28 Ų | 28 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -49 | 173.7 | -164.6 | 0 | 0 | 0 | 0 | 111.6 | S47 N48 V53 C54 Q55 | S47-S51 VanDerWaalsContact O-CB 3.3Å; S47-S51 WeakPolarHBondContact O-CB 3.49Å; S47-S51 PolarHBondContact O-N 3.11Å; N48-S51 WeakPolarHBondContact O-CB 3.33Å; N48-S51 PolarHBondContact O-N 3.26Å; S51-V53 PolarHBondContact O-N 3.19Å; S51-C54 PolarHBondContact O-N 2.91Å; S51-Q55 VanDerWaalsContact O-CB 3.32Å; S51-Q55 WeakPolarHBondContact O-CB 3.45Å; S51-Q55 WeakPolarHBondContact O-CG 3.22Å; S51-Q55 PolarHBondContact O-N 2.92Å; S51-Q55 PolarHBondContact OG-NE2 3.27Å |
| 52 | D | 93.2 | Very high | 91.3 | Very high | 80 Ų | 80 | 52.7 Ų | 52.7 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 179 | -68.2 | -30.2 | 0 | 0 | 0 | 112.4 | L9 N48 T49 R56 | L9-D52 HydrophobicContact CD1-CB 3.78Å; L9-D52 HydrophobicContact CD2-CB 4.31Å; N48-D52 PolarHBondContact O-N 3.25Å; T49-D52 PolarHBondContact O-N 3.16Å; D52-R56 WeakPolarHBondContact O-CB 3.33Å; D52-R56 PolarHBondContact O-N 3.28Å |
| 53 | V | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.5 | -47.5 | 179 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | I5 W8 I37 F41 T49 I50 S51 Q55 R56 L57 | I5-V53 HydrophobicContact CG2-CG2 3.6Å; W8-V53 HydrophobicContact CH2-CG1 4.41Å; W8-V53 HydrophobicContact CZ3-CB 4.5Å; W8-V53 HydrophobicContact CZ3-CG1 4.23Å; W8-V53 HydrophobicContact CZ3-CG2 4.21Å; I37-V53 HydrophobicContact CG2-CG1 4.32Å; F41-V53 HydrophobicContact CE2-CG1 3.62Å; F41-V53 HydrophobicContact CZ-CB 4.33Å; F41-V53 HydrophobicContact CZ-CG1 3.75Å; T49-V53 HydrophobicContact CG2-CG2 4.32Å; T49-V53 WeakPolarHBondContact O-CB 3.5Å; T49-V53 WeakPolarHBondContact O-CG2 3.25Å; T49-V53 PolarHBondContact O-N 3.44Å; I50-V53 PolarHBondContact O-N 3.16Å; S51-V53 PolarHBondContact O-N 3.19Å; V53-Q55 PolarHBondContact O-N 2.99Å; V53-R56 PolarHBondContact O-N 3.2Å; V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.24Å; V53-L57 WeakPolarHBondContact O-CB 3.43Å; V53-L57 WeakPolarHBondContact O-CG 3.41Å; V53-L57 PolarHBondContact O-N 3.18Å |
| 54 | C | 94 | Very high | 91.2 | Very high | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 176 | -80.2 | 0 | 0 | 0 | 0 | 112 | I50 S51 R56 L57 F58 Y122 | I50-C54 WeakPolarHBondContact O-CB 3.41Å; I50-C54 PolarHBondContact O-N 3.3Å; I50-C54 PolarHBondContact O-SG 2.78Å; I50-C54 VanDerWaalsContact O-SG 3.37Å; S51-C54 PolarHBondContact O-N 2.91Å; C54-R56 VanDerWaalsContact C-N 3.34Å; C54-R56 PolarHBondContact O-N 2.97Å; C54-L57 PolarHBondContact O-N 2.74Å; C54-F58 WeakPolarHBondContact O-CB 3.24Å; C54-F58 PolarHBondContact O-N 3.49Å; C54-Y122 HydrophobicContact CB-CD2 3.67Å; C54-Y122 HydrophobicContact CB-CE2 4.45Å; C54-Y122 HydrophobicContact CB-CG 3.83Å; C54-Y122 VanDerWaalsContact O-CD2 3.26Å; C54-Y122 WeakPolarHBondContact O-CD2 3.48Å; C54-Y122 WeakPolarHBondContact O-CE2 3.3Å; C54-Y122 VanDerWaalsContact SG-CB 3.57Å; C54-Y122 VanDerWaalsContact SG-CG 3.52Å |
| 55 | Q | 93.9 | Very high | 91.4 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.2 | -72.7 | 177.5 | 46.8 | 0 | 0 | 111.2 | S51 V53 F58 V59 | S51-Q55 VanDerWaalsContact O-CB 3.32Å; S51-Q55 WeakPolarHBondContact O-CB 3.45Å; S51-Q55 WeakPolarHBondContact O-CG 3.22Å; S51-Q55 PolarHBondContact O-N 2.92Å; S51-Q55 PolarHBondContact OG-NE2 3.27Å; V53-Q55 PolarHBondContact O-N 2.99Å; Q55-F58 PolarHBondContact O-N 3.35Å; Q55-V59 WeakPolarHBondContact O-CG2 3.26Å; Q55-V59 PolarHBondContact O-N 2.87Å |
| 56 | R | 94.2 | Very high | 92.1 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 178.5 | -168.6 | 58.9 | 50.8 | 113 | 14.6 | 112.5 | W8 L9 D52 V53 C54 F58 V59 F60 | W8-R56 HydrophobicContact CE3-CG 4.42Å; W8-R56 HydrophobicContact CH2-CB 3.7Å; W8-R56 HydrophobicContact CH2-CG 3.5Å; W8-R56 VanDerWaalsContact CH2-CG 3.5Å; W8-R56 HydrophobicContact CZ2-CB 4.44Å; W8-R56 HydrophobicContact CZ2-CG 3.77Å; W8-R56 HydrophobicContact CZ3-CB 3.95Å; W8-R56 HydrophobicContact CZ3-CG 3.86Å; L9-R56 HydrophobicContact CD2-CB 3.75Å; L9-R56 HydrophobicContact CD2-CG 4.02Å; L9-R56 VanDerWaalsContact O-CZ 3.27Å; L9-R56 PolarHBondContact O-NH1 2.96Å; L9-R56 PolarHBondContact O-NH2 2.77Å; D52-R56 WeakPolarHBondContact O-CB 3.33Å; D52-R56 PolarHBondContact O-N 3.28Å; V53-R56 PolarHBondContact O-N 3.2Å; C54-R56 VanDerWaalsContact C-N 3.34Å; C54-R56 PolarHBondContact O-N 2.97Å; R56-F58 VanDerWaalsContact C-N 3.3Å; R56-F58 PolarHBondContact O-N 2.87Å; R56-V59 PolarHBondContact O-N 3.31Å; R56-F60 HydrophobicContact CG-CD1 4.32Å; R56-F60 HydrophobicContact CG-CE1 3.77Å; R56-F60 HydrophobicContact CG-CE2 4.36Å; R56-F60 HydrophobicContact CG-CZ 3.79Å; R56-F60 VanDerWaalsContact O-CD1 3.26Å; R56-F60 WeakPolarHBondContact O-CD1 3.44Å; R56-F60 WeakPolarHBondContact O-CG 3.39Å; R56-F60 PolarHBondContact O-N 3.3Å |
| 57 | L | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -37 | 177.3 | -66.7 | 174.5 | 0 | 0 | 0 | 111.3 | W8 F41 V53 C54 F60 Y61 F71 V72 L75 L79 Y122 | W8-L57 HydrophobicContact CH2-CD2 3.84Å; W8-L57 HydrophobicContact CH2-CG 4.06Å; W8-L57 HydrophobicContact CZ2-CD2 3.96Å; F41-L57 HydrophobicContact CE2-CD1 4.37Å; V53-L57 HydrophobicContact CG1-CD1 3.84Å; V53-L57 HydrophobicContact CG1-CG 4.24Å; V53-L57 WeakPolarHBondContact O-CB 3.43Å; V53-L57 WeakPolarHBondContact O-CG 3.41Å; V53-L57 PolarHBondContact O-N 3.18Å; C54-L57 PolarHBondContact O-N 2.74Å; L57-F60 WeakPolarHBondContact O-CB 3.18Å; L57-F60 PolarHBondContact O-N 2.88Å; L57-Y61 PolarHBondContact O-N 3.19Å; L57-F71 HydrophobicContact CD2-CD1 4.19Å; L57-F71 HydrophobicContact CD2-CE1 3.91Å; L57-V72 HydrophobicContact CB-CG1 4.31Å; L57-V72 HydrophobicContact CB-CG2 4.14Å; L57-V72 HydrophobicContact CD2-CG2 3.96Å; L57-V72 VanDerWaalsContact O-CG2 3.24Å; L57-V72 WeakPolarHBondContact O-CG2 3.23Å; L57-L75 HydrophobicContact CD1-CD1 4.37Å; L57-L75 HydrophobicContact CD2-CD1 3.91Å; L57-L79 HydrophobicContact CD1-CD1 4.37Å; L57-Y122 HydrophobicContact CB-CE2 3.62Å; L57-Y122 VanDerWaalsContact CB-OH 3.3Å; L57-Y122 WeakPolarHBondContact CB-OH 3.41Å; L57-Y122 WeakPolarHBondContact CD1-OH 3.44Å |
| 58 | F | 94.8 | Very high | 92.8 | Very high | 46 Ų | 46 | 45 Ų | 45 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 176.7 | -171.8 | -137.3 | 0 | 0 | 0 | 112.7 | C54 Q55 R56 F60 Y61 K62 Y122 S125 I126 | C54-F58 WeakPolarHBondContact O-CB 3.24Å; C54-F58 PolarHBondContact O-N 3.49Å; Q55-F58 PolarHBondContact O-N 3.35Å; R56-F58 VanDerWaalsContact C-N 3.3Å; R56-F58 PolarHBondContact O-N 2.87Å; F58-F60 VanDerWaalsContact C-N 3.34Å; F58-Y61 PolarHBondContact O-N 3.42Å; F58-K62 HydrophobicContact CD1-CD 4.36Å; F58-K62 HydrophobicContact CD2-CD 4.39Å; F58-K62 HydrophobicContact CD2-CG 4.41Å; F58-K62 HydrophobicContact CE1-CD 4.01Å; F58-K62 VanDerWaalsContact CE1-NZ 3.33Å; F58-K62 HydrophobicContact CE2-CD 4.02Å; F58-K62 HydrophobicContact CE2-CG 4.19Å; F58-K62 HydrophobicContact CZ-CD 3.84Å; F58-K62 HydrophobicContact CZ-CG 4.5Å; F58-K62 WeakPolarHBondContact O-CB 3.36Å; F58-K62 WeakPolarHBondContact O-CG 3.33Å; F58-K62 PolarHBondContact O-N 2.67Å; F58-Y122 HydrophobicContact CB-CD2 4.27Å; F58-Y122 HydrophobicContact CB-CE2 4.28Å; F58-S125 WeakPolarHBondContact CE2-O 3.27Å; F58-I126 HydrophobicContact CD2-CG1 4.18Å |
| 59 | V | 93.6 | Very high | 93 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 44% | 0.436 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 169.9 | 168.4 | 0 | 0 | 0 | 0 | 111 | Y12 Q55 R56 K62 S63 | Y12-V59 HydrophobicContact CE1-CG1 4.46Å; Q55-V59 WeakPolarHBondContact O-CG2 3.26Å; Q55-V59 PolarHBondContact O-N 2.87Å; R56-V59 PolarHBondContact O-N 3.31Å; V59-K62 PolarHBondContact O-N 2.91Å; V59-S63 PolarHBondContact O-N 3.13Å |
| 60 | F | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 177 | -76.5 | 15.1 | 0 | 0 | 0 | 111.4 | W8 Y12 F23 M27 R56 L57 F58 K62 S63 L68 F71 V72 | W8-F60 AromaticContact CE2-CE2 3.79Å; W8-F60 HydrophobicContact CZ2-CD2 4.16Å; W8-F60 AromaticContact CZ2-CE2 3.54Å; W8-F60 HydrophobicContact CZ2-CE2 3.54Å; W8-F60 HydrophobicContact CZ2-CZ 4.09Å; W8-F60 AromaticContact NE1-CE2 3.64Å; Y12-F60 HydrophobicContact CD1-CE1 4.08Å; Y12-F60 HydrophobicContact CD2-CD1 4.38Å; Y12-F60 AromaticContact CD2-CE1 3.37Å; Y12-F60 HydrophobicContact CD2-CE1 3.37Å; Y12-F60 AromaticContact CD2-CZ 3.73Å; Y12-F60 HydrophobicContact CD2-CZ 3.73Å; Y12-F60 HydrophobicContact CE1-CE1 4.17Å; Y12-F60 HydrophobicContact CE2-CD1 4.06Å; Y12-F60 AromaticContact CE2-CE1 3.46Å; Y12-F60 HydrophobicContact CE2-CE1 3.46Å; Y12-F60 VanDerWaalsContact CE2-CE1 3.46Å; Y12-F60 HydrophobicContact CE2-CZ 4.22Å; Y12-F60 AromaticContact CG-CE1 3.69Å; Y12-F60 HydrophobicContact CG-CE1 3.69Å; Y12-F60 HydrophobicContact CG-CZ 4.04Å; Y12-F60 AromaticContact CZ-CE1 3.87Å; F23-F60 AromaticContact CE1-CE2 3.88Å; F23-F60 HydrophobicContact CE1-CE2 3.88Å; F23-F60 AromaticContact CE1-CZ 3.56Å; F23-F60 HydrophobicContact CE1-CZ 3.56Å; F23-F60 HydrophobicContact CZ-CE2 4.07Å; F23-F60 AromaticContact CZ-CZ 3.64Å; F23-F60 HydrophobicContact CZ-CZ 3.64Å; M27-F60 HydrophobicContact SD-CD2 4.34Å; M27-F60 HydrophobicContact SD-CE2 3.79Å; R56-F60 HydrophobicContact CG-CD1 4.32Å; R56-F60 HydrophobicContact CG-CE1 3.77Å; R56-F60 HydrophobicContact CG-CE2 4.36Å; R56-F60 HydrophobicContact CG-CZ 3.79Å; R56-F60 VanDerWaalsContact O-CD1 3.26Å; R56-F60 WeakPolarHBondContact O-CD1 3.44Å; R56-F60 WeakPolarHBondContact O-CG 3.39Å; R56-F60 PolarHBondContact O-N 3.3Å; L57-F60 WeakPolarHBondContact O-CB 3.18Å; L57-F60 PolarHBondContact O-N 2.88Å; F58-F60 VanDerWaalsContact C-N 3.34Å; F60-K62 PolarHBondContact O-N 2.97Å; F60-S63 WeakPolarHBondContact O-CB 3.42Å; F60-S63 PolarHBondContact O-N 3.44Å; F60-S63 PolarHBondContact O-OG 3.27Å; F60-L68 HydrophobicContact CB-CB 4Å; F60-L68 HydrophobicContact CD1-CD1 4.2Å; F60-L68 HydrophobicContact CD2-CD2 4.06Å; F60-L68 HydrophobicContact CE2-CD2 4.26Å; F60-L68 HydrophobicContact CG-CB 4.32Å; F60-L68 HydrophobicContact CG-CD1 4.27Å; F60-L68 HydrophobicContact CG-CD2 4.35Å; F60-F71 HydrophobicContact CD2-CD1 4.47Å; F60-V72 HydrophobicContact CB-CG2 3.62Å |
| 61 | Y | 94.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 175.9 | -166.8 | -118.4 | 0 | 0 | 0 | 112.4 | L57 F58 S63 Q69 V72 V73 I126 Y129 Y130 N200 | L57-Y61 PolarHBondContact O-N 3.19Å; F58-Y61 PolarHBondContact O-N 3.42Å; Y61-S63 VanDerWaalsContact C-N 3.33Å; Y61-S63 PolarHBondContact O-N 2.91Å; Y61-Q69 HydrophobicContact CD2-CB 4.31Å; Y61-Q69 HydrophobicContact CD2-CG 4.11Å; Y61-Q69 VanDerWaalsContact O-CG 3.31Å; Y61-Q69 WeakPolarHBondContact O-CG 3.44Å; Y61-Q69 PolarHBondContact O-NE2 3.49Å; Y61-V72 HydrophobicContact CD2-CB 4.48Å; Y61-V72 HydrophobicContact CD2-CG1 4.42Å; Y61-V72 HydrophobicContact CG-CG1 4.48Å; Y61-V73 HydrophobicContact CD2-CG2 4.03Å; Y61-V73 HydrophobicContact CE2-CG2 3.52Å; Y61-I126 HydrophobicContact CD1-CB 4.31Å; Y61-I126 HydrophobicContact CD1-CG1 3.98Å; Y61-I126 HydrophobicContact CD1-CG2 3.96Å; Y61-I126 HydrophobicContact CE1-CB 4.33Å; Y61-I126 HydrophobicContact CE1-CG1 4.49Å; Y61-I126 HydrophobicContact CE1-CG2 3.63Å; Y61-I126 HydrophobicContact CG-CG1 4.45Å; Y61-Y129 AromaticContact CD1-CD1 3.67Å; Y61-Y129 HydrophobicContact CD1-CD1 3.67Å; Y61-Y129 HydrophobicContact CD1-CE1 4.3Å; Y61-Y129 AromaticContact CE1-CD1 3.57Å; Y61-Y129 HydrophobicContact CE1-CD1 3.57Å; Y61-Y129 HydrophobicContact CE1-CE1 4.32Å; Y61-Y130 WeakPolarHBondContact OH-CD2 3.48Å; Y61-N200 PolarHBondContact OH-ND2 3.23Å; Y61-N200 VanDerWaalsContact OH-ND2 3.11Å; Y61-N200 PolarHBondContact OH-OD1 3.29Å |
| 62 | K | 93.4 | Very high | 93.6 | Very high | 99 Ų | 99 | 37 Ų | 37 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -75.5 | -12.9 | 175.4 | -79.3 | -177.4 | 157.7 | 175.9 | 0 | 115.2 | F58 V59 F60 G64 Y129 | F58-K62 HydrophobicContact CD1-CD 4.36Å; F58-K62 HydrophobicContact CD2-CD 4.39Å; F58-K62 HydrophobicContact CD2-CG 4.41Å; F58-K62 HydrophobicContact CE1-CD 4.01Å; F58-K62 VanDerWaalsContact CE1-NZ 3.33Å; F58-K62 HydrophobicContact CE2-CD 4.02Å; F58-K62 HydrophobicContact CE2-CG 4.19Å; F58-K62 HydrophobicContact CZ-CD 3.84Å; F58-K62 HydrophobicContact CZ-CG 4.5Å; F58-K62 WeakPolarHBondContact O-CB 3.36Å; F58-K62 WeakPolarHBondContact O-CG 3.33Å; F58-K62 PolarHBondContact O-N 2.67Å; V59-K62 PolarHBondContact O-N 2.91Å; F60-K62 PolarHBondContact O-N 2.97Å; K62-G64 PolarHBondContact O-N 2.83Å; K62-Y129 HydrophobicContact CD-CD2 4.43Å; K62-Y129 HydrophobicContact CG-CD1 4.28Å; K62-Y129 HydrophobicContact CG-CD2 3.96Å; K62-Y129 HydrophobicContact CG-CE1 4.17Å; K62-Y129 HydrophobicContact CG-CE2 3.85Å; K62-Y129 HydrophobicContact CG-CG 4.17Å |
| 63 | S | 90.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 33.2 Ų | 33.2 | 31% | 0.308 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.7 | -173.1 | 70 | 0 | 0 | 0 | 0 | 115.2 | V59 F60 Y61 L65 | V59-S63 PolarHBondContact O-N 3.13Å; F60-S63 WeakPolarHBondContact O-CB 3.42Å; F60-S63 PolarHBondContact O-N 3.44Å; F60-S63 PolarHBondContact O-OG 3.27Å; Y61-S63 VanDerWaalsContact C-N 3.33Å; Y61-S63 PolarHBondContact O-N 2.91Å; S63-L65 PolarHBondContact O-N 2.89Å; S63-L65 PolarHBondContact OG-N 2.94Å |
| 64 | G | 86.3 | Confident | 93.8 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | trans | 74.7 | -8.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K62 P66 | K62-G64 PolarHBondContact O-N 2.83Å; G64-P66 WeakPolarHBondContact O-CD 3.47Å | ||
| 65 | L | 91.1 | Very high | 93.9 | Very high | 75 Ų | 75 | 33 Ų | 33 | 39% | 0.393 | 19% | 0.185 | S | C | . | . | trans | -78.2 | 119.2 | 178.9 | -64.1 | 178.4 | 0 | 0 | 0 | 110.3 | M20 S63 A67 L68 Q69 | M20-L65 HydrophobicContact CG-CD1 4.05Å; S63-L65 PolarHBondContact O-N 2.89Å; S63-L65 PolarHBondContact OG-N 2.94Å; L65-A67 VanDerWaalsContact C-N 3.32Å; L65-A67 PolarHBondContact O-N 3.23Å; L65-L68 HydrophobicContact CB-CB 4.28Å; L65-L68 HydrophobicContact CB-CD1 4.33Å; L65-L68 HydrophobicContact CB-CG 4.17Å; L65-L68 HydrophobicContact CD1-CD1 3.91Å; L65-L68 HydrophobicContact CD1-CG 4.41Å; L65-L68 PolarHBondContact O-N 3.43Å; L65-Q69 PolarHBondContact O-N 2.86Å | ||
| 66 | P | 92.1 | Very high | 94.1 | Very high | 87 Ų | 87 | 27.5 Ų | 27.5 | 57% | 0.565 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -57.2 | -39.7 | -174.6 | -28.8 | 36.5 | 0 | 0 | 0 | 113.9 | G64 L68 Q69 N70 | G64-P66 WeakPolarHBondContact O-CD 3.47Å; P66-L68 VanDerWaalsContact C-N 3.31Å; P66-L68 PolarHBondContact O-N 3.31Å; P66-Q69 PolarHBondContact O-N 3.25Å; P66-N70 VanDerWaalsContact O-CB 3.23Å; P66-N70 WeakPolarHBondContact O-CB 3.31Å; P66-N70 PolarHBondContact O-N 2.86Å; P66-N70 PolarHBondContact O-OD1 3.29Å; P66-N70 VanDerWaalsContact O-OD1 3.09Å |
| 67 | A | 92.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 25 Ų | 25 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -32.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I24 Y28 L65 F71 M215 | I24-A67 HydrophobicContact CD1-CB 4.08Å; I24-A67 HydrophobicContact CG1-CB 4.4Å; I24-A67 HydrophobicContact CG2-CB 3.73Å; Y28-A67 HydrophobicContact CE2-CB 4.37Å; Y28-A67 PolarHBondContact OH-O 3.11Å; L65-A67 VanDerWaalsContact C-N 3.32Å; L65-A67 PolarHBondContact O-N 3.23Å; A67-F71 WeakPolarHBondContact O-CB 3.36Å; A67-F71 PolarHBondContact O-N 2.96Å; A67-F71 VanDerWaalsContact O-N 3.14Å; A67-M215 HydrophobicContact CB-CE 4.24Å |
| 68 | L | 94 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -79.2 | -37.6 | 175.4 | -62.7 | -170.9 | 0 | 0 | 0 | 111.5 | Y12 M20 F23 I24 M27 F60 L65 P66 V72 | Y12-L68 HydrophobicContact CE2-CD1 4.12Å; M20-L68 HydrophobicContact SD-CD1 4.22Å; F23-L68 HydrophobicContact CE1-CD2 4.46Å; I24-L68 HydrophobicContact CD1-CD2 4.33Å; I24-L68 HydrophobicContact CD1-CG 4.49Å; I24-L68 HydrophobicContact CG1-CD2 3.79Å; I24-L68 HydrophobicContact CG1-CG 4.48Å; M27-L68 HydrophobicContact CE-CD2 3.8Å; F60-L68 HydrophobicContact CB-CB 4Å; F60-L68 HydrophobicContact CD1-CD1 4.2Å; F60-L68 HydrophobicContact CD2-CD2 4.06Å; F60-L68 HydrophobicContact CE2-CD2 4.26Å; F60-L68 HydrophobicContact CG-CB 4.32Å; F60-L68 HydrophobicContact CG-CD1 4.27Å; F60-L68 HydrophobicContact CG-CD2 4.35Å; L65-L68 HydrophobicContact CB-CB 4.28Å; L65-L68 HydrophobicContact CB-CD1 4.33Å; L65-L68 HydrophobicContact CB-CG 4.17Å; L65-L68 HydrophobicContact CD1-CD1 3.91Å; L65-L68 HydrophobicContact CD1-CG 4.41Å; L65-L68 PolarHBondContact O-N 3.43Å; P66-L68 VanDerWaalsContact C-N 3.31Å; P66-L68 PolarHBondContact O-N 3.31Å; L68-V72 VanDerWaalsContact O-CG2 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.28Å; L68-V72 PolarHBondContact O-N 3.39Å |
| 69 | Q | 94.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 172.3 | -74.5 | -176.3 | -12.1 | 0 | 0 | 111.2 | Y61 L65 P66 V72 V73 | Y61-Q69 HydrophobicContact CD2-CB 4.31Å; Y61-Q69 HydrophobicContact CD2-CG 4.11Å; Y61-Q69 VanDerWaalsContact O-CG 3.31Å; Y61-Q69 WeakPolarHBondContact O-CG 3.44Å; Y61-Q69 PolarHBondContact O-NE2 3.49Å; L65-Q69 PolarHBondContact O-N 2.86Å; P66-Q69 PolarHBondContact O-N 3.25Å; Q69-V72 PolarHBondContact O-N 3.09Å; Q69-V73 WeakPolarHBondContact O-CG2 3.37Å; Q69-V73 PolarHBondContact O-N 3.49Å |
| 70 | N | 95.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 19.9 Ų | 19.9 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 178.4 | -68.8 | 8.4 | 0 | 0 | 0 | 111.7 | Y28 P66 V72 V73 L74 I204 I208 | Y28-N70 WeakPolarHBondContact OH-CB 3.46Å; P66-N70 VanDerWaalsContact O-CB 3.23Å; P66-N70 WeakPolarHBondContact O-CB 3.31Å; P66-N70 PolarHBondContact O-N 2.86Å; P66-N70 PolarHBondContact O-OD1 3.29Å; P66-N70 VanDerWaalsContact O-OD1 3.09Å; N70-V72 VanDerWaalsContact C-N 3.32Å; N70-V72 PolarHBondContact O-N 2.92Å; N70-V73 PolarHBondContact O-N 3.33Å; N70-L74 VanDerWaalsContact O-CB 3.29Å; N70-L74 WeakPolarHBondContact O-CB 3.26Å; N70-L74 WeakPolarHBondContact O-CD1 3.32Å; N70-L74 WeakPolarHBondContact O-CG 3.22Å; N70-L74 PolarHBondContact O-N 2.78Å; N70-I204 HydrophobicContact CB-CG2 4.29Å; N70-I204 WeakPolarHBondContact OD1-CG2 3.32Å; N70-I208 HydrophobicContact CB-CD1 4.42Å |
| 71 | F | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 175.8 | 180 | -95.5 | 0 | 0 | 0 | 112.2 | W8 M27 Y28 V34 I37 L57 F60 A67 L75 L218 | W8-F71 HydrophobicContact CZ2-CE1 4.2Å; M27-F71 HydrophobicContact CE-CB 3.59Å; M27-F71 HydrophobicContact CE-CD1 4.01Å; M27-F71 HydrophobicContact CE-CD2 3.64Å; M27-F71 HydrophobicContact CE-CE2 4.33Å; M27-F71 HydrophobicContact CE-CG 3.46Å; M27-F71 VanDerWaalsContact CE-CG 3.46Å; M27-F71 HydrophobicContact CG-CD2 3.81Å; M27-F71 HydrophobicContact CG-CE1 4.28Å; M27-F71 HydrophobicContact CG-CE2 3.53Å; M27-F71 HydrophobicContact CG-CG 4.32Å; M27-F71 HydrophobicContact CG-CZ 3.78Å; M27-F71 HydrophobicContact SD-CB 4.41Å; M27-F71 HydrophobicContact SD-CD1 3.66Å; M27-F71 HydrophobicContact SD-CD2 3.81Å; M27-F71 HydrophobicContact SD-CE1 3.77Å; M27-F71 HydrophobicContact SD-CE2 3.93Å; M27-F71 HydrophobicContact SD-CG 3.68Å; M27-F71 HydrophobicContact SD-CZ 3.91Å; Y28-F71 HydrophobicContact CE2-CB 4.29Å; Y28-F71 PolarHBondContact OH-N 2.87Å; V34-F71 HydrophobicContact CG2-CE2 4.44Å; I37-F71 HydrophobicContact CD1-CZ 4.31Å; L57-F71 HydrophobicContact CD2-CD1 4.19Å; L57-F71 HydrophobicContact CD2-CE1 3.91Å; F60-F71 HydrophobicContact CD2-CD1 4.47Å; A67-F71 WeakPolarHBondContact O-CB 3.36Å; A67-F71 PolarHBondContact O-N 2.96Å; A67-F71 VanDerWaalsContact O-N 3.14Å; F71-L75 HydrophobicContact CD1-CD1 4.16Å; F71-L75 HydrophobicContact CE1-CD1 3.69Å; F71-L75 HydrophobicContact CZ-CD1 4.04Å; F71-L75 WeakPolarHBondContact O-CG 3.38Å; F71-L75 PolarHBondContact O-N 3.42Å; F71-L218 HydrophobicContact CD2-CD2 3.55Å; F71-L218 HydrophobicContact CE2-CD2 4.05Å; F71-L218 HydrophobicContact CG-CD2 4.46Å |
| 72 | V | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.3 | -43.9 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L57 F60 Y61 L68 Q69 N70 L75 L76 Y122 I126 | L57-V72 HydrophobicContact CB-CG1 4.31Å; L57-V72 HydrophobicContact CB-CG2 4.14Å; L57-V72 HydrophobicContact CD2-CG2 3.96Å; L57-V72 VanDerWaalsContact O-CG2 3.24Å; L57-V72 WeakPolarHBondContact O-CG2 3.23Å; F60-V72 HydrophobicContact CB-CG2 3.62Å; Y61-V72 HydrophobicContact CD2-CB 4.48Å; Y61-V72 HydrophobicContact CD2-CG1 4.42Å; Y61-V72 HydrophobicContact CG-CG1 4.48Å; L68-V72 VanDerWaalsContact O-CG2 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.28Å; L68-V72 PolarHBondContact O-N 3.39Å; Q69-V72 PolarHBondContact O-N 3.09Å; N70-V72 VanDerWaalsContact C-N 3.32Å; N70-V72 PolarHBondContact O-N 2.92Å; V72-L75 WeakPolarHBondContact O-CB 3.23Å; V72-L75 PolarHBondContact O-N 2.66Å; V72-L76 PolarHBondContact O-N 3.26Å; V72-Y122 WeakPolarHBondContact CG1-OH 3.42Å; V72-I126 HydrophobicContact CG1-CD1 3.65Å |
| 73 | V | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.6 | -36.1 | -178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | Y61 Q69 N70 L75 L76 Y201 I204 | Y61-V73 HydrophobicContact CD2-CG2 4.03Å; Y61-V73 HydrophobicContact CE2-CG2 3.52Å; Q69-V73 WeakPolarHBondContact O-CG2 3.37Å; Q69-V73 PolarHBondContact O-N 3.49Å; N70-V73 PolarHBondContact O-N 3.33Å; V73-L75 PolarHBondContact O-N 3.19Å; V73-L76 HydrophobicContact CB-CD1 4.4Å; V73-L76 HydrophobicContact CG1-CD1 4.24Å; V73-L76 HydrophobicContact CG2-CD1 4.21Å; V73-L76 WeakPolarHBondContact O-CB 3.09Å; V73-L76 PolarHBondContact O-N 2.98Å; V73-Y201 HydrophobicContact CG1-CD2 3.96Å; V73-Y201 WeakPolarHBondContact O-CD2 3.33Å; V73-I204 HydrophobicContact CB-CB 4.32Å; V73-I204 HydrophobicContact CB-CG1 4.13Å; V73-I204 HydrophobicContact CB-CG2 4.23Å; V73-I204 HydrophobicContact CG1-CB 3.72Å; V73-I204 HydrophobicContact CG1-CG1 3.83Å; V73-I204 HydrophobicContact CG1-CG2 4Å; V73-I204 HydrophobicContact CG2-CG1 4.11Å |
| 74 | L | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.8 | -21 | 173.7 | -70.8 | 169 | 0 | 0 | 0 | 113.3 | N70 Y201 I208 L218 V219 S222 | N70-L74 VanDerWaalsContact O-CB 3.29Å; N70-L74 WeakPolarHBondContact O-CB 3.26Å; N70-L74 WeakPolarHBondContact O-CD1 3.32Å; N70-L74 WeakPolarHBondContact O-CG 3.22Å; N70-L74 PolarHBondContact O-N 2.78Å; L74-Y201 HydrophobicContact CD2-CE2 4.39Å; L74-I208 HydrophobicContact CD1-CD1 4.05Å; L74-I208 HydrophobicContact CD2-CD1 3.98Å; L74-I208 HydrophobicContact CG-CD1 4.18Å; L74-L218 HydrophobicContact CB-CD2 4.21Å; L74-L218 HydrophobicContact CB-CG 4.09Å; L74-L218 HydrophobicContact CD1-CD2 3.89Å; L74-L218 HydrophobicContact CD1-CG 3.91Å; L74-V219 HydrophobicContact CD1-CG2 3.95Å; L74-V219 HydrophobicContact CD2-CG2 4.14Å; L74-S222 VanDerWaalsContact O-CB 3.26Å; L74-S222 WeakPolarHBondContact O-CB 3.41Å; L74-S222 PolarHBondContact O-OG 3.46Å |
| 75 | L | 96.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -83.8 | -19.5 | 172.4 | -67.5 | 169.4 | 0 | 0 | 0 | 113.5 | V34 I37 L57 F71 V72 V73 P77 S78 L79 | V34-L75 HydrophobicContact CG1-CD2 3.95Å; I37-L75 HydrophobicContact CG2-CD1 4.36Å; L57-L75 HydrophobicContact CD1-CD1 4.37Å; L57-L75 HydrophobicContact CD2-CD1 3.91Å; F71-L75 HydrophobicContact CD1-CD1 4.16Å; F71-L75 HydrophobicContact CE1-CD1 3.69Å; F71-L75 HydrophobicContact CZ-CD1 4.04Å; F71-L75 WeakPolarHBondContact O-CG 3.38Å; F71-L75 PolarHBondContact O-N 3.42Å; V72-L75 WeakPolarHBondContact O-CB 3.23Å; V72-L75 PolarHBondContact O-N 2.66Å; V73-L75 PolarHBondContact O-N 3.19Å; L75-P77 VanDerWaalsContact C-CD 3.43Å; L75-S78 PolarHBondContact O-N 3.1Å; L75-L79 HydrophobicContact CB-CD1 4.19Å; L75-L79 HydrophobicContact CB-CG 4.43Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.23Å; L75-L79 VanDerWaalsContact O-N 3.16Å |
| 76 | L | 97.2 | Very high | 94 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -52.7 | -40.7 | -174 | -75.1 | 176.9 | 0 | 0 | 0 | 114.5 | V72 V73 S78 L79 L80 L123 I126 L197 | V72-L76 PolarHBondContact O-N 3.26Å; V73-L76 HydrophobicContact CB-CD1 4.4Å; V73-L76 HydrophobicContact CG1-CD1 4.24Å; V73-L76 HydrophobicContact CG2-CD1 4.21Å; V73-L76 WeakPolarHBondContact O-CB 3.09Å; V73-L76 PolarHBondContact O-N 2.98Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.44Å; L76-L79 PolarHBondContact O-N 2.78Å; L76-L80 VanDerWaalsContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CB 3.39Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.07Å; L76-L123 HydrophobicContact CD2-CD2 3.88Å; L76-I126 HydrophobicContact CD1-CG2 4.5Å; L76-I126 HydrophobicContact CD2-CD1 4.26Å; L76-L197 HydrophobicContact CD1-CD2 4.1Å; L76-L197 HydrophobicContact CD2-CD2 4.17Å |
| 77 | P | 97.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.019 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 178.2 | -23.6 | 33.7 | 0 | 0 | 0 | 113.5 | L75 H81 Y201 R225 F226 F229 | L75-P77 VanDerWaalsContact C-CD 3.43Å; P77-H81 VanDerWaalsContact O-CB 3.3Å; P77-H81 WeakPolarHBondContact O-CB 3.5Å; P77-H81 PolarHBondContact O-N 3.33Å; P77-Y201 HydrophobicContact CG-CD2 3.94Å; P77-Y201 HydrophobicContact CG-CE1 4.15Å; P77-Y201 HydrophobicContact CG-CE2 3.52Å; P77-Y201 HydrophobicContact CG-CG 4.41Å; P77-R225 HydrophobicContact CB-CB 4.37Å; P77-F226 HydrophobicContact CB-CB 4.04Å; P77-F226 HydrophobicContact CG-CB 4.1Å; P77-F229 HydrophobicContact CB-CB 4.37Å |
| 78 | S | 96.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 10.7 Ų | 10.7 | 4% | 0.035 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.7 | -38.4 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | E38 L75 L76 S82 R225 | E38-S78 VanDerWaalsContact OE1-CB 3.25Å; E38-S78 WeakPolarHBondContact OE1-CB 3.38Å; E38-S78 PolarHBondContact OE1-OG 3.19Å; L75-S78 PolarHBondContact O-N 3.1Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.44Å; S78-S82 WeakPolarHBondContact O-CB 3.35Å; S78-S82 PolarHBondContact O-N 3.37Å; S78-S82 PolarHBondContact O-OG 3.24Å; S78-R225 VanDerWaalsContact OG-CB 3.25Å; S78-R225 WeakPolarHBondContact OG-CB 3.16Å; S78-R225 VanDerWaalsContact OG-CD 3.28Å; S78-R225 WeakPolarHBondContact OG-CD 3.47Å; S78-R225 WeakPolarHBondContact OG-CG 3.43Å |
| 79 | L | 95.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.5 | -41.6 | 178.2 | -58.6 | -179.9 | 0 | 0 | 0 | 111.3 | F41 L57 L75 L76 S82 Y83 L119 Y122 L123 | F41-L79 HydrophobicContact CB-CD2 4.06Å; F41-L79 HydrophobicContact CD1-CD2 4.12Å; F41-L79 HydrophobicContact CD2-CD2 3.17Å; F41-L79 HydrophobicContact CE1-CD2 4.35Å; F41-L79 HydrophobicContact CE2-CD2 3.47Å; F41-L79 VanDerWaalsContact CE2-CD2 3.47Å; F41-L79 HydrophobicContact CG-CD2 3.53Å; F41-L79 HydrophobicContact CZ-CD2 4.06Å; L57-L79 HydrophobicContact CD1-CD1 4.37Å; L75-L79 HydrophobicContact CB-CD1 4.19Å; L75-L79 HydrophobicContact CB-CG 4.43Å; L75-L79 WeakPolarHBondContact O-CG 3.34Å; L75-L79 PolarHBondContact O-N 3.23Å; L75-L79 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 2.78Å; L79-S82 PolarHBondContact O-N 3.08Å; L79-Y83 VanDerWaalsContact O-CB 3.27Å; L79-Y83 WeakPolarHBondContact O-CB 3.25Å; L79-Y83 PolarHBondContact O-N 3.5Å; L79-L119 HydrophobicContact CB-CD1 4.32Å; L79-Y122 HydrophobicContact CD1-CE1 3.61Å; L79-L123 HydrophobicContact CB-CD2 4.15Å |
| 80 | L | 95.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 173.2 | -73.2 | 168.6 | 0 | 0 | 0 | 111.7 | L76 Y83 L84 L123 I194 L197 V198 F229 | L76-L80 VanDerWaalsContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CB 3.39Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.07Å; L80-Y83 PolarHBondContact O-N 3.14Å; L80-L84 VanDerWaalsContact O-CB 3.27Å; L80-L84 WeakPolarHBondContact O-CB 3.27Å; L80-L84 VanDerWaalsContact O-CG 3.22Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 3.22Å; L80-L123 HydrophobicContact CD2-CD1 4.3Å; L80-L123 HydrophobicContact CD2-CD2 4.39Å; L80-I194 HydrophobicContact CD2-CG1 4.22Å; L80-L197 HydrophobicContact CD1-CB 4.27Å; L80-L197 HydrophobicContact CD2-CD1 3.99Å; L80-V198 HydrophobicContact CD1-CG2 4.23Å; L80-F229 HydrophobicContact CB-CD2 3.74Å; L80-F229 HydrophobicContact CB-CE2 3.6Å; L80-F229 HydrophobicContact CB-CZ 4.29Å; L80-F229 HydrophobicContact CD1-CE1 4.42Å; L80-F229 HydrophobicContact CD1-CE2 4.13Å; L80-F229 HydrophobicContact CD1-CZ 3.96Å; L80-F229 HydrophobicContact CG-CE2 4.4Å |
| 81 | H | 94 | Very high | 87.5 | Confident | 45 Ų | 45 | 22.5 Ų | 22.5 | 21% | 0.208 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 174.9 | 177.2 | -86 | 0 | 0 | 0 | 111.6 | P77 L84 C85 F229 | P77-H81 VanDerWaalsContact O-CB 3.3Å; P77-H81 WeakPolarHBondContact O-CB 3.5Å; P77-H81 PolarHBondContact O-N 3.33Å; H81-L84 PolarHBondContact O-N 3.13Å; H81-C85 PolarHBondContact O-N 3.3Å; H81-C85 PolarHBondContact O-SG 3.28Å; H81-F229 HydrophobicContact CB-CB 4.19Å |
| 82 | S | 92.7 | Very high | 85 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | -179.9 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | S78 L79 L84 H86 | S78-S82 WeakPolarHBondContact O-CB 3.35Å; S78-S82 PolarHBondContact O-N 3.37Å; S78-S82 PolarHBondContact O-OG 3.24Å; L79-S82 PolarHBondContact O-N 3.08Å; S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 3.3Å; S82-H86 PolarHBondContact O-CD2 3.09Å; S82-H86 PolarHBondContact O-N 2.9Å |
| 83 | Y | 92.2 | Very high | 82.4 | Confident | 13 Ų | 13 | 27.5 Ų | 27.5 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.6 | -43.5 | 174.3 | 169.7 | -113.1 | 0 | 0 | 0 | 112.2 | L79 L80 S87 L116 E120 L123 R190 | L79-Y83 VanDerWaalsContact O-CB 3.27Å; L79-Y83 WeakPolarHBondContact O-CB 3.25Å; L79-Y83 PolarHBondContact O-N 3.5Å; L80-Y83 PolarHBondContact O-N 3.14Å; Y83-S87 WeakPolarHBondContact CD2-OG 3.5Å; Y83-S87 WeakPolarHBondContact CE2-OG 3.46Å; Y83-S87 WeakPolarHBondContact O-CB 3.44Å; Y83-S87 PolarHBondContact O-N 2.79Å; Y83-S87 PolarHBondContact O-OG 3.5Å; Y83-L116 HydrophobicContact CD2-CD1 3.82Å; Y83-L116 HydrophobicContact CE2-CD1 4.38Å; Y83-E120 HydrophobicContact CD2-CB 4.3Å; Y83-E120 HydrophobicContact CE2-CB 3.69Å; Y83-E120 HydrophobicContact CE2-CG 3.84Å; Y83-E120 VanDerWaalsContact OH-CD 3.28Å; Y83-E120 PolarHBondContact OH-OE1 2.68Å; Y83-L123 HydrophobicContact CD1-CD1 4Å; Y83-L123 HydrophobicContact CD2-CD1 4.48Å; Y83-L123 HydrophobicContact CG-CD1 3.83Å; Y83-R190 PolarHBondContact OH-NE 3.42Å |
| 84 | L | 90.2 | Very high | 79.7 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -77.9 | -31.9 | -175.4 | -73.7 | 171.6 | 0 | 0 | 0 | 114.5 | L80 H81 S82 Y88 I194 F229 V233 I242 | L80-L84 VanDerWaalsContact O-CB 3.27Å; L80-L84 WeakPolarHBondContact O-CB 3.27Å; L80-L84 VanDerWaalsContact O-CG 3.22Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 3.22Å; H81-L84 PolarHBondContact O-N 3.13Å; S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 3.3Å; L84-Y88 HydrophobicContact CD2-CD2 4.25Å; L84-Y88 HydrophobicContact CD2-CE2 3.79Å; L84-Y88 WeakPolarHBondContact O-CD2 3.35Å; L84-I194 HydrophobicContact CD1-CD1 4.42Å; L84-I194 HydrophobicContact CD2-CD1 3.95Å; L84-F229 HydrophobicContact CD1-CD2 4.25Å; L84-F229 HydrophobicContact CD1-CE2 3.72Å; L84-V233 HydrophobicContact CD1-CG2 3.79Å; L84-I242 HydrophobicContact CB-CD1 3.75Å; L84-I242 HydrophobicContact CD1-CD1 4.25Å; L84-I242 HydrophobicContact CD2-CD1 4.42Å; L84-I242 HydrophobicContact CD2-CG2 4.3Å; L84-I242 HydrophobicContact CG-CD1 4.37Å |
| 85 | C | 87.4 | Confident | 77 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -55 | 171.2 | -68.5 | 0 | 0 | 0 | 0 | 110.1 | H81 S87 Y88 E89 | H81-C85 PolarHBondContact O-N 3.3Å; H81-C85 PolarHBondContact O-SG 3.28Å; C85-S87 PolarHBondContact O-N 3.23Å; C85-Y88 PolarHBondContact O-N 3.12Å; C85-E89 WeakPolarHBondContact O-CB 3.47Å; C85-E89 WeakPolarHBondContact O-CG 3.42Å; C85-E89 PolarHBondContact O-N 2.88Å |
| 86 | H | 87 | Confident | 74.3 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 17% | 0.167 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -46.6 | -178.5 | -66.5 | -47 | 0 | 0 | 0 | 112.6 | E42 L44 S82 Y88 F112 L116 | E42-H86 PolarHBondContact O-CE1 3.48Å; E42-H86 PolarHBondContact O-NE2 3.11Å; L44-H86 HydrophobicContact CD1-CB 4.26Å; L44-H86 VanDerWaalsContact CD1-CD2 3.46Å; L44-H86 WeakPolarHBondContact CD1-CD2 3.19Å; S82-H86 PolarHBondContact O-CD2 3.09Å; S82-H86 PolarHBondContact O-N 2.9Å; H86-Y88 PolarHBondContact O-N 3.37Å; H86-Y88 VanDerWaalsContact O-N 3.12Å; H86-F112 HydrophobicContact CB-CZ 4Å; H86-F112 AromaticContact CG-CZ 3.86Å; H86-F112 AromaticContact ND1-CE2 3.94Å; H86-F112 AromaticContact ND1-CZ 3.59Å; H86-L116 HydrophobicContact CB-CD1 3.84Å; H86-L116 HydrophobicContact CB-CD2 4.25Å |
| 87 | S | 83.9 | Confident | 71.6 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -21.4 | -177.9 | -62.4 | 0 | 0 | 0 | 0 | 115.1 | Y83 C85 N91 | Y83-S87 WeakPolarHBondContact CD2-OG 3.5Å; Y83-S87 WeakPolarHBondContact CE2-OG 3.46Å; Y83-S87 WeakPolarHBondContact O-CB 3.44Å; Y83-S87 PolarHBondContact O-N 2.79Å; Y83-S87 PolarHBondContact O-OG 3.5Å; C85-S87 PolarHBondContact O-N 3.23Å; S87-N91 PolarHBondContact O-ND2 2.91Å |
| 88 | Y | 77.8 | Confident | 68.8 | Low | 47 Ų | 47 | 57.4 Ų | 57.4 | 18% | 0.184 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -108.5 | -33.3 | -178.9 | -74.6 | -84.8 | 0 | 0 | 0 | 113 | L84 C85 H86 N91 P240 I242 P243 | L84-Y88 HydrophobicContact CD2-CD2 4.25Å; L84-Y88 HydrophobicContact CD2-CE2 3.79Å; L84-Y88 WeakPolarHBondContact O-CD2 3.35Å; C85-Y88 PolarHBondContact O-N 3.12Å; H86-Y88 PolarHBondContact O-N 3.37Å; H86-Y88 VanDerWaalsContact O-N 3.12Å; Y88-N91 PolarHBondContact O-N 3.38Å; Y88-P240 VanDerWaalsContact C-CG 3.47Å; Y88-P240 WeakPolarHBondContact O-CG 3.39Å; Y88-I242 HydrophobicContact CD2-CG1 3.89Å; Y88-I242 HydrophobicContact CE2-CG1 4.23Å; Y88-I242 HydrophobicContact CE2-CG2 4.17Å; Y88-I242 HydrophobicContact CG-CG1 4.25Å; Y88-P243 HydrophobicContact CE1-CG 4.13Å |
| 89 | E | 68.8 | Low | 65.9 | Low | 86 Ų | 86 | 66.4 Ų | 66.4 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.4 | -33.2 | -176.3 | -76.5 | 165.5 | -146.4 | 0 | 0 | 113.8 | C85 N91 S92 S93 R232 P240 | C85-E89 WeakPolarHBondContact O-CB 3.47Å; C85-E89 WeakPolarHBondContact O-CG 3.42Å; C85-E89 PolarHBondContact O-N 2.88Å; E89-N91 VanDerWaalsContact C-N 3.25Å; E89-N91 PolarHBondContact O-N 3.38Å; E89-S92 PolarHBondContact O-N 3.08Å; E89-S92 VanDerWaalsContact O-N 3.13Å; E89-S93 PolarHBondContact O-N 2.93Å; E89-S93 VanDerWaalsContact O-N 3.14Å; E89-S93 PolarHBondContact O-OG 2.98Å; E89-R232 IonicContact OE1-CZ 3.94Å; E89-R232 IonicContact OE1-NE 3.52Å; E89-R232 IonicContact OE1-NH2 2.83Å; E89-R232 PolarHBondContact OE1-NH2 3.08Å; E89-P240 HydrophobicContact CG-CG 4.12Å |
| 90 | D | 53.3 | Low | 63.4 | Low | 65 Ų | 65 | 73.2 Ų | 73.2 | 35% | 0.348 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55 | -41.2 | 170.6 | -80.5 | -6.5 | 0 | 0 | 0 | 112.2 | S92 S93 F112 | D90-S92 PolarHBondContact O-N 3.17Å; D90-S93 PolarHBondContact O-N 3.21Å; D90-S93 PolarHBondContact O-OG 2.69Å; D90-F112 WeakPolarHBondContact OD2-CE1 3.25Å |
| 91 | N | 47.4 | Very low | 60.8 | Low | 123 Ų | 123 | 78.2 Ų | 78.2 | 66% | 0.658 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -70.9 | -13.6 | -177.3 | -70.5 | -68.5 | 0 | 0 | 0 | 113.7 | S87 Y88 E89 | S87-N91 PolarHBondContact O-ND2 2.91Å; Y88-N91 PolarHBondContact O-N 3.38Å; E89-N91 VanDerWaalsContact C-N 3.25Å; E89-N91 PolarHBondContact O-N 3.38Å |
| 92 | S | 42.6 | Very low | 58 | Low | 62 Ų | 62 | 81.2 Ų | 81.2 | 43% | 0.434 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -109.2 | -18.5 | 179.2 | -61.5 | 0 | 0 | 0 | 0 | 114.3 | E89 D90 P240 | E89-S92 PolarHBondContact O-N 3.08Å; E89-S92 VanDerWaalsContact O-N 3.13Å; D90-S92 PolarHBondContact O-N 3.17Å; S92-P240 WeakPolarHBondContact OG-CB 3.41Å; S92-P240 WeakPolarHBondContact OG-CG 3.3Å |
| 93 | S | 41.4 | Very low | 55.4 | Low | 44 Ų | 44 | 88.6 Ų | 88.6 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -86.2 | -19.6 | -173.4 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | E89 D90 S95 Q96 T97 | E89-S93 PolarHBondContact O-N 2.93Å; E89-S93 VanDerWaalsContact O-N 3.14Å; E89-S93 PolarHBondContact O-OG 2.98Å; D90-S93 PolarHBondContact O-N 3.21Å; D90-S93 PolarHBondContact O-OG 2.69Å; S93-S95 PolarHBondContact O-N 2.95Å; S93-S95 VanDerWaalsContact O-N 3.08Å; S93-Q96 PolarHBondContact O-N 3.49Å; S93-T97 WeakPolarHBondContact CA-OG1 3.42Å; S93-T97 WeakPolarHBondContact CB-OG1 3.16Å; S93-T97 PolarHBondContact O-N 3.38Å; S93-T97 VanDerWaalsContact O-N 3.07Å |
| 94 | S | 40.5 | Very low | 53.5 | Low | 77 Ų | 77 | 93 Ų | 93 | 54% | 0.538 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.4 | -174.7 | 62.4 | 0 | 0 | 0 | 0 | 115.6 | R98 | S94-R98 PolarHBondContact O-NH2 2.8Š|
| 95 | S | 40.3 | Very low | 51.7 | Low | 94 Ų | 94 | 95.7 Ų | 95.7 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -18.1 | -174.5 | 61.4 | 0 | 0 | 0 | 0 | 115.5 | S93 | S93-S95 PolarHBondContact O-N 2.95Å; S93-S95 VanDerWaalsContact O-N 3.08Å |
| 96 | Q | 40 | Very low | 50.4 | Low | 169 Ų | 169 | 101.3 Ų | 101.3 | 79% | 0.79 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | -25.2 | -176 | -66.8 | -164.8 | -2.2 | 0 | 0 | 116.3 | S93 R98 | S93-Q96 PolarHBondContact O-N 3.49Å; Q96-R98 VanDerWaalsContact C-N 3.34Å; Q96-R98 PolarHBondContact O-N 2.92Å |
| 97 | T | 39.5 | Very low | 49.3 | Very low | 78 Ų | 78 | 103.8 Ų | 103.8 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | trans | -91.5 | 12.9 | -169.3 | -28.7 | 0 | 0 | 0 | 0 | 114.6 | S93 K99 | S93-T97 WeakPolarHBondContact CA-OG1 3.42Å; S93-T97 WeakPolarHBondContact CB-OG1 3.16Å; S93-T97 PolarHBondContact O-N 3.38Å; S93-T97 VanDerWaalsContact O-N 3.07Å; T97-K99 PolarHBondContact O-N 2.87Å | ||
| 98 | R | 37.7 | Very low | 48.5 | Very low | 217 Ų | 217 | 105.1 Ų | 105.1 | 82% | 0.819 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 31.9 | 179 | -134.3 | -174.4 | -63.9 | 179.9 | -0.4 | 114.1 | S94 Q96 | S94-R98 PolarHBondContact O-NH2 2.8Å; Q96-R98 VanDerWaalsContact C-N 3.34Å; Q96-R98 PolarHBondContact O-N 2.92Å |
| 99 | K | 37 | Very low | 48 | Very low | 195 Ų | 195 | 107.7 Ų | 107.7 | 85% | 0.848 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.2 | -2.2 | -166.2 | -99.6 | -178.7 | 178.3 | 173.2 | 0 | 117 | T97 | T97-K99 PolarHBondContact O-N 2.87Š|
| 100 | I | 43.4 | Very low | 48.3 | Very low | 144 Ų | 144 | 106.9 Ų | 106.9 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -116.3 | -27.4 | -177.1 | -62.4 | -177.7 | 0 | 0 | 0 | 113.3 | ||
| 101 | V | 40.1 | Very low | 49.7 | Very low | 109 Ų | 109 | 106.3 Ų | 106.3 | 66% | 0.661 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -133.4 | 115 | 165.7 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 102 | P | 35.1 | Very low | 51.5 | Low | 107 Ų | 107 | 103 Ų | 103 | 70% | 0.695 | 57% | 0.57 | S | S | * | * | trans | -80.5 | 153.6 | 170.1 | 32.8 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 103 | N | 37.4 | Very low | 53.5 | Low | 164 Ų | 164 | 104.6 Ų | 104.6 | 88% | 0.877 | 57% | 0.573 | S | S | * | * | trans | 64 | 67.2 | 170.5 | -56.5 | -5.1 | 0 | 0 | 0 | 116.5 | ||||
| 104 | I | 52.3 | Low | 55.7 | Low | 106 Ų | 106 | 104.3 Ų | 104.3 | 54% | 0.544 | 57% | 0.573 | S | S | . | * | trans | -89.1 | 120.2 | 147.3 | -56.7 | -178.9 | 0 | 0 | 0 | 106.9 | S108 Q109 | I104-S108 WeakPolarHBondContact CG2-OG 3.43Å; I104-Q109 HydrophobicContact CG2-CG 3.64Å | ||
| 105 | S | 53.1 | Low | 58 | Low | 58 Ų | 58 | 100.7 Ų | 100.7 | 41% | 0.406 | 55% | 0.548 | S | S | . | . | trans | -72.8 | 157.7 | 176.4 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | S107 S108 Q109 | S105-S107 PolarHBondContact O-N 3.2Å; S105-S107 VanDerWaalsContact O-N 3.15Å; S105-S107 PolarHBondContact OG-OG 3.2Å; S105-S108 PolarHBondContact N-OG 3.29Å; S105-S108 PolarHBondContact O-N 3.2Å; S105-S108 PolarHBondContact O-OG 2.97Å; S105-S108 PolarHBondContact OG-N 3.29Å; S105-S108 PolarHBondContact OG-OG 3.31Å; S105-Q109 PolarHBondContact O-N 2.81Å | ||
| 106 | D | 59.7 | Low | 60.3 | Low | 134 Ų | 134 | 97 Ų | 97 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.3 | -31.4 | 175.4 | -49.3 | -48.3 | 0 | 0 | 0 | 112 | S108 S110 | D106-S108 VanDerWaalsContact C-N 3.34Å; D106-S108 PolarHBondContact O-N 3.37Å; D106-S110 PolarHBondContact O-N 2.73Å; D106-S110 VanDerWaalsContact O-N 3.14Å; D106-S110 PolarHBondContact O-OG 3.19Å |
| 107 | S | 64.7 | Low | 62.6 | Low | 88 Ų | 88 | 92 Ų | 92 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68 | -25.6 | 173.2 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | S105 S110 | S105-S107 PolarHBondContact O-N 3.2Å; S105-S107 VanDerWaalsContact O-N 3.15Å; S105-S107 PolarHBondContact OG-OG 3.2Å; S107-S110 PolarHBondContact O-OG 2.97Å |
| 108 | S | 65.3 | Low | 65 | Low | 40 Ų | 40 | 90.5 Ų | 90.5 | 28% | 0.28 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -89.1 | -35.7 | 175.1 | 39.9 | 0 | 0 | 0 | 0 | 112 | I104 S105 D106 S110 S111 F112 | I104-S108 WeakPolarHBondContact CG2-OG 3.43Å; S105-S108 PolarHBondContact N-OG 3.29Å; S105-S108 PolarHBondContact O-N 3.2Å; S105-S108 PolarHBondContact O-OG 2.97Å; S105-S108 PolarHBondContact OG-N 3.29Å; S105-S108 PolarHBondContact OG-OG 3.31Å; D106-S108 VanDerWaalsContact C-N 3.34Å; D106-S108 PolarHBondContact O-N 3.37Å; S108-S110 PolarHBondContact O-N 3.42Å; S108-S111 WeakPolarHBondContact CA-OG 3.41Å; S108-S111 PolarHBondContact O-N 2.71Å; S108-S111 PolarHBondContact O-OG 3.04Å; S108-F112 PolarHBondContact O-N 3.14Å |
| 109 | Q | 68.9 | Low | 67.6 | Low | 102 Ų | 102 | 80.2 Ų | 80.2 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 171.2 | -64 | -175 | 34.5 | 0 | 0 | 112.2 | I104 S105 S111 F112 L113 | I104-Q109 HydrophobicContact CG2-CG 3.64Å; S105-Q109 PolarHBondContact O-N 2.81Å; Q109-S111 VanDerWaalsContact C-N 3.35Å; Q109-S111 PolarHBondContact O-N 3.45Å; Q109-F112 PolarHBondContact O-N 3.35Å; Q109-L113 PolarHBondContact O-N 3.27Å |
| 110 | S | 75.5 | Confident | 70.2 | Confident | 69 Ų | 69 | 72.8 Ų | 72.8 | 48% | 0.483 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | D106 S107 S108 A114 | D106-S110 PolarHBondContact O-N 2.73Å; D106-S110 VanDerWaalsContact O-N 3.14Å; D106-S110 PolarHBondContact O-OG 3.19Å; S107-S110 PolarHBondContact O-OG 2.97Å; S108-S110 PolarHBondContact O-N 3.42Å; S110-A114 VanDerWaalsContact O-CB 3.29Å; S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.24Å |
| 111 | S | 82.1 | Confident | 72.4 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 174.1 | 77.1 | 0 | 0 | 0 | 0 | 113.6 | S108 Q109 S115 | S108-S111 WeakPolarHBondContact CA-OG 3.41Å; S108-S111 PolarHBondContact O-N 2.71Å; S108-S111 PolarHBondContact O-OG 3.04Å; Q109-S111 VanDerWaalsContact C-N 3.35Å; Q109-S111 PolarHBondContact O-N 3.45Å; S111-S115 WeakPolarHBondContact O-CB 3.46Å; S111-S115 PolarHBondContact O-N 2.95Å; S111-S115 PolarHBondContact O-OG 3.11Å |
| 112 | F | 85.8 | Confident | 74.9 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.7 | -49.8 | 175.8 | 178.6 | -88.3 | 0 | 0 | 0 | 111.2 | L44 H86 D90 S108 Q109 A114 S115 L116 | L44-F112 HydrophobicContact CB-CD2 4.23Å; L44-F112 HydrophobicContact CB-CE2 4.31Å; L44-F112 HydrophobicContact CD1-CD2 4.01Å; L44-F112 HydrophobicContact CD1-CE1 4.42Å; L44-F112 HydrophobicContact CD1-CE2 3.62Å; L44-F112 HydrophobicContact CD1-CZ 3.85Å; L44-F112 HydrophobicContact CG-CE2 4.45Å; H86-F112 HydrophobicContact CB-CZ 4Å; H86-F112 AromaticContact CG-CZ 3.86Å; H86-F112 AromaticContact ND1-CE2 3.94Å; H86-F112 AromaticContact ND1-CZ 3.59Å; D90-F112 WeakPolarHBondContact OD2-CE1 3.25Å; S108-F112 PolarHBondContact O-N 3.14Å; Q109-F112 PolarHBondContact O-N 3.35Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 2.73Å; F112-S115 WeakPolarHBondContact O-CA 3.32Å; F112-S115 WeakPolarHBondContact O-CB 3.48Å; F112-S115 PolarHBondContact O-N 3.25Å; F112-L116 PolarHBondContact O-N 3.38Å |
| 113 | L | 84.4 | Confident | 77.7 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 177.4 | -68 | 174.6 | 0 | 0 | 0 | 112.2 | Q109 L116 S117 | Q109-L113 PolarHBondContact O-N 3.27Å; L113-L116 PolarHBondContact O-N 3.19Å; L113-S117 WeakPolarHBondContact O-CB 3.28Å; L113-S117 PolarHBondContact O-N 3.14Å; L113-S117 PolarHBondContact O-OG 2.97Å |
| 114 | A | 86.8 | Confident | 80.3 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S110 F112 S117 L118 | S110-A114 VanDerWaalsContact O-CB 3.29Å; S110-A114 WeakPolarHBondContact O-CB 3.42Å; S110-A114 PolarHBondContact O-N 3.24Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 2.73Å; A114-S117 PolarHBondContact O-N 2.92Å; A114-S117 PolarHBondContact O-OG 3.43Å; A114-S117 VanDerWaalsContact O-OG 3.07Å; A114-L118 WeakPolarHBondContact O-CB 3.4Å; A114-L118 WeakPolarHBondContact O-CD1 2.88Å; A114-L118 VanDerWaalsContact O-CG 3.24Å; A114-L118 WeakPolarHBondContact O-CG 3.42Å; A114-L118 PolarHBondContact O-N 2.84Å |
| 115 | S | 88.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 177.2 | -61 | 0 | 0 | 0 | 0 | 112.5 | S47 S111 F112 L119 | S47-S115 WeakPolarHBondContact CA-OG 3.03Å; S47-S115 PolarHBondContact N-OG 2.81Å; S111-S115 WeakPolarHBondContact O-CB 3.46Å; S111-S115 PolarHBondContact O-N 2.95Å; S111-S115 PolarHBondContact O-OG 3.11Å; F112-S115 WeakPolarHBondContact O-CA 3.32Å; F112-S115 WeakPolarHBondContact O-CB 3.48Å; F112-S115 PolarHBondContact O-N 3.25Å; S115-L119 PolarHBondContact O-N 3.25Å |
| 116 | L | 88.8 | Confident | 84.1 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 176.2 | -175.2 | 60.6 | 0 | 0 | 0 | 112 | L44 Y83 H86 F112 L113 L119 E120 | L44-L116 HydrophobicContact CD1-CB 4.14Å; L44-L116 HydrophobicContact CD1-CD1 4.35Å; Y83-L116 HydrophobicContact CD2-CD1 3.82Å; Y83-L116 HydrophobicContact CE2-CD1 4.38Å; H86-L116 HydrophobicContact CB-CD1 3.84Å; H86-L116 HydrophobicContact CB-CD2 4.25Å; F112-L116 PolarHBondContact O-N 3.38Å; L113-L116 PolarHBondContact O-N 3.19Å; L116-L119 PolarHBondContact O-N 2.94Å; L116-E120 PolarHBondContact O-N 3.08Å |
| 117 | S | 87.9 | Confident | 85.6 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.7 | -32.2 | 177.7 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | L113 A114 E120 S121 | L113-S117 WeakPolarHBondContact O-CB 3.28Å; L113-S117 PolarHBondContact O-N 3.14Å; L113-S117 PolarHBondContact O-OG 2.97Å; A114-S117 PolarHBondContact O-N 2.92Å; A114-S117 PolarHBondContact O-OG 3.43Å; A114-S117 VanDerWaalsContact O-OG 3.07Å; S117-E120 PolarHBondContact O-N 3.32Å; S117-S121 WeakPolarHBondContact O-CB 3.08Å; S117-S121 PolarHBondContact O-N 2.96Å; S117-S121 PolarHBondContact O-OG 3.02Å |
| 118 | L | 91.1 | Very high | 86.8 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 168.8 | -76.5 | 166 | 0 | 0 | 0 | 111 | S47 I50 A114 E120 S121 Y122 | S47-L118 WeakPolarHBondContact O-CD1 2.77Å; I50-L118 HydrophobicContact CG2-CB 4.03Å; A114-L118 WeakPolarHBondContact O-CB 3.4Å; A114-L118 WeakPolarHBondContact O-CD1 2.88Å; A114-L118 VanDerWaalsContact O-CG 3.24Å; A114-L118 WeakPolarHBondContact O-CG 3.42Å; A114-L118 PolarHBondContact O-N 2.84Å; L118-E120 PolarHBondContact O-N 3.38Å; L118-S121 PolarHBondContact O-N 3.37Å; L118-S121 PolarHBondContact O-OG 3.23Å; L118-Y122 WeakPolarHBondContact O-CB 3.29Å; L118-Y122 PolarHBondContact O-N 3.39Å |
| 119 | L | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 176.1 | 176.4 | 57.8 | 0 | 0 | 0 | 112 | F41 L44 L79 S115 L116 Y122 L123 | F41-L119 HydrophobicContact CD1-CD1 3.89Å; F41-L119 HydrophobicContact CD1-CD2 4.21Å; F41-L119 HydrophobicContact CD1-CG 4.48Å; F41-L119 HydrophobicContact CE1-CD1 3.88Å; L44-L119 HydrophobicContact CD2-CD2 4.43Å; L79-L119 HydrophobicContact CB-CD1 4.32Å; S115-L119 PolarHBondContact O-N 3.25Å; L116-L119 PolarHBondContact O-N 2.94Å; L119-Y122 HydrophobicContact CD1-CD1 4.25Å; L119-Y122 PolarHBondContact O-N 3.3Å; L119-L123 HydrophobicContact CD1-CD1 4.12Å; L119-L123 HydrophobicContact CD1-CG 4.2Å; L119-L123 HydrophobicContact CG-CD1 4.2Å; L119-L123 WeakPolarHBondContact O-CG 2.94Å; L119-L123 PolarHBondContact O-N 2.85Å |
| 120 | E | 90.3 | Very high | 89 | Confident | 39 Ų | 39 | 40 Ų | 40 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 174.6 | -171.7 | 173.4 | -174 | 0 | 0 | 111.6 | Y83 L116 S117 L118 Y122 L123 L124 R190 | Y83-E120 HydrophobicContact CD2-CB 4.3Å; Y83-E120 HydrophobicContact CE2-CB 3.69Å; Y83-E120 HydrophobicContact CE2-CG 3.84Å; Y83-E120 VanDerWaalsContact OH-CD 3.28Å; Y83-E120 PolarHBondContact OH-OE1 2.68Å; L116-E120 PolarHBondContact O-N 3.08Å; S117-E120 PolarHBondContact O-N 3.32Å; L118-E120 PolarHBondContact O-N 3.38Å; E120-Y122 VanDerWaalsContact C-N 3.25Å; E120-Y122 PolarHBondContact O-N 3.32Å; E120-L123 PolarHBondContact O-N 3.42Å; E120-L124 HydrophobicContact CG-CD1 3.94Å; E120-L124 HydrophobicContact CG-CG 4.42Å; E120-L124 WeakPolarHBondContact O-CB 3.21Å; E120-L124 WeakPolarHBondContact O-CG 3.36Å; E120-L124 PolarHBondContact O-N 3.15Å; E120-R190 IonicContact OE1-CZ 3.73Å; E120-R190 VanDerWaalsContact OE1-CZ 3.22Å; E120-R190 IonicContact OE1-NE 3.99Å; E120-R190 PolarHBondContact OE1-NE 3.31Å; E120-R190 IonicContact OE1-NH2 3.39Å; E120-R190 PolarHBondContact OE1-NH2 3.12Å; E120-R190 IonicContact OE2-CZ 2.64Å; E120-R190 IonicContact OE2-NE 2.67Å; E120-R190 IonicContact OE2-NH2 3.5Å; E120-R190 PolarHBondContact OE2-NH2 2.76Å |
| 121 | S | 89.5 | Confident | 89.4 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.5 | -33.9 | 179.6 | 76.9 | 0 | 0 | 0 | 0 | 112.7 | S117 L118 S125 | S117-S121 WeakPolarHBondContact O-CB 3.08Å; S117-S121 PolarHBondContact O-N 2.96Å; S117-S121 PolarHBondContact O-OG 3.02Å; L118-S121 PolarHBondContact O-N 3.37Å; L118-S121 PolarHBondContact O-OG 3.23Å; S121-S125 VanDerWaalsContact O-CB 3.25Å; S121-S125 WeakPolarHBondContact O-CB 3.41Å; S121-S125 PolarHBondContact O-N 2.91Å; S121-S125 PolarHBondContact O-OG 3.49Å |
| 122 | Y | 93.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.1 | -45.4 | 175.6 | 160 | -92 | 0 | 0 | 0 | 112.1 | C54 L57 F58 V72 L79 L118 L119 E120 L124 S125 I126 | C54-Y122 HydrophobicContact CB-CD2 3.67Å; C54-Y122 HydrophobicContact CB-CE2 4.45Å; C54-Y122 HydrophobicContact CB-CG 3.83Å; C54-Y122 VanDerWaalsContact O-CD2 3.26Å; C54-Y122 WeakPolarHBondContact O-CD2 3.48Å; C54-Y122 WeakPolarHBondContact O-CE2 3.3Å; C54-Y122 VanDerWaalsContact SG-CB 3.57Å; C54-Y122 VanDerWaalsContact SG-CG 3.52Å; L57-Y122 HydrophobicContact CB-CE2 3.62Å; L57-Y122 VanDerWaalsContact CB-OH 3.3Å; L57-Y122 WeakPolarHBondContact CB-OH 3.41Å; L57-Y122 WeakPolarHBondContact CD1-OH 3.44Å; F58-Y122 HydrophobicContact CB-CD2 4.27Å; F58-Y122 HydrophobicContact CB-CE2 4.28Å; V72-Y122 WeakPolarHBondContact CG1-OH 3.42Å; L79-Y122 HydrophobicContact CD1-CE1 3.61Å; L118-Y122 WeakPolarHBondContact O-CB 3.29Å; L118-Y122 PolarHBondContact O-N 3.39Å; L119-Y122 HydrophobicContact CD1-CD1 4.25Å; L119-Y122 PolarHBondContact O-N 3.3Å; E120-Y122 VanDerWaalsContact C-N 3.25Å; E120-Y122 PolarHBondContact O-N 3.32Å; Y122-L124 VanDerWaalsContact C-N 3.35Å; Y122-L124 PolarHBondContact O-N 2.95Å; Y122-S125 WeakPolarHBondContact O-CB 3.37Å; Y122-S125 PolarHBondContact O-N 3.18Å; Y122-S125 VanDerWaalsContact O-N 3.13Å; Y122-I126 HydrophobicContact CD2-CD1 4.49Å; Y122-I126 HydrophobicContact CE1-CD1 3.89Å; Y122-I126 HydrophobicContact CE2-CD1 3.69Å; Y122-I126 HydrophobicContact CE2-CG1 4.3Å; Y122-I126 PolarHBondContact O-N 3.28Å; Y122-I126 VanDerWaalsContact OH-CD1 3.25Å; Y122-I126 WeakPolarHBondContact OH-CD1 3.14Å |
| 123 | L | 93.6 | Very high | 89.4 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.4 | -69.6 | 170 | 0 | 0 | 0 | 110.7 | L76 L79 L80 Y83 L119 E120 S125 I126 C127 L197 | L76-L123 HydrophobicContact CD2-CD2 3.88Å; L79-L123 HydrophobicContact CB-CD2 4.15Å; L80-L123 HydrophobicContact CD2-CD1 4.3Å; L80-L123 HydrophobicContact CD2-CD2 4.39Å; Y83-L123 HydrophobicContact CD1-CD1 4Å; Y83-L123 HydrophobicContact CD2-CD1 4.48Å; Y83-L123 HydrophobicContact CG-CD1 3.83Å; L119-L123 HydrophobicContact CD1-CD1 4.12Å; L119-L123 HydrophobicContact CD1-CG 4.2Å; L119-L123 HydrophobicContact CG-CD1 4.2Å; L119-L123 WeakPolarHBondContact O-CG 2.94Å; L119-L123 PolarHBondContact O-N 2.85Å; E120-L123 PolarHBondContact O-N 3.42Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 2.92Å; L123-I126 PolarHBondContact O-N 3.41Å; L123-C127 WeakPolarHBondContact O-CB 3.37Å; L123-C127 PolarHBondContact O-N 2.97Å; L123-L197 HydrophobicContact CB-CD1 3.9Å; L123-L197 HydrophobicContact CD2-CD1 4.15Å |
| 124 | L | 91.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 172.4 | -70 | 171.7 | 0 | 0 | 0 | 112.4 | E120 Y122 C127 N128 A193 | E120-L124 HydrophobicContact CG-CD1 3.94Å; E120-L124 HydrophobicContact CG-CG 4.42Å; E120-L124 WeakPolarHBondContact O-CB 3.21Å; E120-L124 WeakPolarHBondContact O-CG 3.36Å; E120-L124 PolarHBondContact O-N 3.15Å; Y122-L124 VanDerWaalsContact C-N 3.35Å; Y122-L124 PolarHBondContact O-N 2.95Å; L124-C127 WeakPolarHBondContact O-CB 3.42Å; L124-C127 PolarHBondContact O-N 3.05Å; L124-N128 WeakPolarHBondContact O-CB 3.33Å; L124-N128 PolarHBondContact O-N 3.45Å; L124-N128 PolarHBondContact O-ND2 3Å; L124-A193 HydrophobicContact CD2-CB 3.81Å |
| 125 | S | 91.7 | Very high | 87.1 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 176.9 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | F58 S121 Y122 L123 Y129 | F58-S125 WeakPolarHBondContact CE2-O 3.27Å; S121-S125 VanDerWaalsContact O-CB 3.25Å; S121-S125 WeakPolarHBondContact O-CB 3.41Å; S121-S125 PolarHBondContact O-N 2.91Å; S121-S125 PolarHBondContact O-OG 3.49Å; Y122-S125 WeakPolarHBondContact O-CB 3.37Å; Y122-S125 PolarHBondContact O-N 3.18Å; Y122-S125 VanDerWaalsContact O-N 3.13Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 2.92Å; S125-Y129 WeakPolarHBondContact O-CB 3.3Å; S125-Y129 PolarHBondContact O-N 3.32Å; S125-Y129 VanDerWaalsContact O-N 3.09Å |
| 126 | I | 93.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.8 | -47.5 | 171.6 | -71.6 | -176 | 0 | 0 | 0 | 110.5 | F58 Y61 V72 L76 Y122 L123 N128 Y129 Y130 L197 | F58-I126 HydrophobicContact CD2-CG1 4.18Å; Y61-I126 HydrophobicContact CD1-CB 4.31Å; Y61-I126 HydrophobicContact CD1-CG1 3.98Å; Y61-I126 HydrophobicContact CD1-CG2 3.96Å; Y61-I126 HydrophobicContact CE1-CB 4.33Å; Y61-I126 HydrophobicContact CE1-CG1 4.49Å; Y61-I126 HydrophobicContact CE1-CG2 3.63Å; Y61-I126 HydrophobicContact CG-CG1 4.45Å; V72-I126 HydrophobicContact CG1-CD1 3.65Å; L76-I126 HydrophobicContact CD1-CG2 4.5Å; L76-I126 HydrophobicContact CD2-CD1 4.26Å; Y122-I126 HydrophobicContact CD2-CD1 4.49Å; Y122-I126 HydrophobicContact CE1-CD1 3.89Å; Y122-I126 HydrophobicContact CE2-CD1 3.69Å; Y122-I126 HydrophobicContact CE2-CG1 4.3Å; Y122-I126 PolarHBondContact O-N 3.28Å; Y122-I126 VanDerWaalsContact OH-CD1 3.25Å; Y122-I126 WeakPolarHBondContact OH-CD1 3.14Å; L123-I126 PolarHBondContact O-N 3.41Å; I126-N128 PolarHBondContact O-N 2.94Å; I126-Y129 PolarHBondContact O-N 3.45Å; I126-Y130 WeakPolarHBondContact O-CB 3.28Å; I126-Y130 PolarHBondContact O-N 2.66Å; I126-L197 HydrophobicContact CB-CD2 3.99Å; I126-L197 HydrophobicContact CG2-CD2 3.46Å; I126-L197 VanDerWaalsContact CG2-CD2 3.46Å |
| 127 | C | 92 | Very high | 82.7 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.2 | -51.9 | 176.1 | 178 | 0 | 0 | 0 | 0 | 111.5 | L123 L124 Y129 Y130 L131 A193 L197 | L123-C127 WeakPolarHBondContact O-CB 3.37Å; L123-C127 PolarHBondContact O-N 2.97Å; L124-C127 WeakPolarHBondContact O-CB 3.42Å; L124-C127 PolarHBondContact O-N 3.05Å; C127-Y129 PolarHBondContact O-N 2.93Å; C127-Y130 PolarHBondContact O-N 2.96Å; C127-L131 WeakPolarHBondContact O-CG 3.32Å; C127-L131 PolarHBondContact O-N 3.28Å; C127-A193 HydrophobicContact CB-CB 4.43Å; C127-L197 HydrophobicContact CB-CD2 4.25Å; C127-L197 HydrophobicContact CB-CG 4.21Å |
| 128 | N | 89.7 | Confident | 80.3 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | -179.6 | -69.2 | -20.3 | 0 | 0 | 0 | 112.5 | L124 I126 V132 | L124-N128 WeakPolarHBondContact O-CB 3.33Å; L124-N128 PolarHBondContact O-N 3.45Å; L124-N128 PolarHBondContact O-ND2 3Å; I126-N128 PolarHBondContact O-N 2.94Å; N128-V132 WeakPolarHBondContact O-CG2 3.25Å; N128-V132 PolarHBondContact O-N 3.48Å; N128-V132 VanDerWaalsContact O-N 3.1Å |
| 129 | Y | 91 | Very high | 77.5 | Confident | 65 Ų | 65 | 60.1 Ų | 60.1 | 26% | 0.255 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.4 | -37.9 | 176 | -177.1 | -99.9 | 0 | 0 | 0 | 112.4 | Y61 K62 S125 I126 C127 V132 K133 | Y61-Y129 AromaticContact CD1-CD1 3.67Å; Y61-Y129 HydrophobicContact CD1-CD1 3.67Å; Y61-Y129 HydrophobicContact CD1-CE1 4.3Å; Y61-Y129 AromaticContact CE1-CD1 3.57Å; Y61-Y129 HydrophobicContact CE1-CD1 3.57Å; Y61-Y129 HydrophobicContact CE1-CE1 4.32Å; K62-Y129 HydrophobicContact CD-CD2 4.43Å; K62-Y129 HydrophobicContact CG-CD1 4.28Å; K62-Y129 HydrophobicContact CG-CD2 3.96Å; K62-Y129 HydrophobicContact CG-CE1 4.17Å; K62-Y129 HydrophobicContact CG-CE2 3.85Å; K62-Y129 HydrophobicContact CG-CG 4.17Å; S125-Y129 WeakPolarHBondContact O-CB 3.3Å; S125-Y129 PolarHBondContact O-N 3.32Å; S125-Y129 VanDerWaalsContact O-N 3.09Å; I126-Y129 PolarHBondContact O-N 3.45Å; C127-Y129 PolarHBondContact O-N 2.93Å; Y129-V132 PolarHBondContact O-N 2.87Å; Y129-K133 HydrophobicContact CE1-CD 4.43Å; Y129-K133 VanDerWaalsContact O-CB 3.28Å; Y129-K133 WeakPolarHBondContact O-CB 3.25Å; Y129-K133 PolarHBondContact O-N 3.31Å |
| 130 | Y | 89.7 | Confident | 74.7 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 173.3 | 176.3 | -97.3 | 0 | 0 | 0 | 111.1 | Y61 I126 C127 V132 K133 A134 C196 N200 E203 | Y61-Y130 WeakPolarHBondContact OH-CD2 3.48Å; I126-Y130 WeakPolarHBondContact O-CB 3.28Å; I126-Y130 PolarHBondContact O-N 2.66Å; C127-Y130 PolarHBondContact O-N 2.96Å; Y130-V132 VanDerWaalsContact C-N 3.35Å; Y130-V132 PolarHBondContact O-N 2.55Å; Y130-K133 CarbonylContact O-C 3.57Å; Y130-K133 PolarHBondContact O-N 2.84Å; Y130-K133 VanDerWaalsContact O-N 3.08Å; Y130-A134 WeakPolarHBondContact O-CB 3.22Å; Y130-A134 PolarHBondContact O-N 3.27Å; Y130-C196 WeakPolarHBondContact CD1-SG 3.23Å; Y130-N200 HydrophobicContact CD1-CB 4.34Å; Y130-N200 HydrophobicContact CD2-CB 3.59Å; Y130-N200 WeakPolarHBondContact CD2-OD1 3.44Å; Y130-N200 HydrophobicContact CE1-CB 4.35Å; Y130-N200 HydrophobicContact CE2-CB 3.63Å; Y130-N200 HydrophobicContact CG-CB 3.95Å; Y130-E203 WeakPolarHBondContact CE2-OE2 3.27Å; Y130-E203 PolarHBondContact OH-OE2 2.87Å |
| 131 | L | 85 | Confident | 72 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 177.6 | -70.6 | 170.1 | 0 | 0 | 0 | 111.1 | C127 K133 A134 D135 | C127-L131 WeakPolarHBondContact O-CG 3.32Å; C127-L131 PolarHBondContact O-N 3.28Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.83Å; L131-A134 PolarHBondContact O-N 3.23Å; L131-D135 WeakPolarHBondContact O-CB 3.48Å; L131-D135 PolarHBondContact O-N 3.16Å |
| 132 | V | 85.4 | Confident | 69.2 | Low | 106 Ų | 106 | 78.2 Ų | 78.2 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.3 | -34.7 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | N128 Y129 Y130 D135 | N128-V132 WeakPolarHBondContact O-CG2 3.25Å; N128-V132 PolarHBondContact O-N 3.48Å; N128-V132 VanDerWaalsContact O-N 3.1Å; Y129-V132 PolarHBondContact O-N 2.87Å; Y130-V132 VanDerWaalsContact C-N 3.35Å; Y130-V132 PolarHBondContact O-N 2.55Å; V132-D135 PolarHBondContact O-N 3.35Å |
| 133 | K | 81.6 | Confident | 66 | Low | 97 Ų | 97 | 79.3 Ų | 79.3 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -74.9 | -27.2 | 177.6 | -168.8 | -163.5 | 169.9 | -157.9 | 0 | 112.7 | Y129 Y130 L131 D135 P136 | Y129-K133 HydrophobicContact CE1-CD 4.43Å; Y129-K133 VanDerWaalsContact O-CB 3.28Å; Y129-K133 WeakPolarHBondContact O-CB 3.25Å; Y129-K133 PolarHBondContact O-N 3.31Å; Y130-K133 CarbonylContact O-C 3.57Å; Y130-K133 PolarHBondContact O-N 2.84Å; Y130-K133 VanDerWaalsContact O-N 3.08Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.83Å; K133-D135 VanDerWaalsContact C-N 3.3Å; K133-P136 WeakPolarHBondContact O-CD 3.26Å |
| 134 | A | 70.9 | Confident | 63.1 | Low | 71 Ų | 71 | 81.7 Ų | 81.7 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -76.5 | -18.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y130 L131 | Y130-A134 WeakPolarHBondContact O-CB 3.22Å; Y130-A134 PolarHBondContact O-N 3.27Å; L131-A134 PolarHBondContact O-N 3.23Å |
| 135 | D | 51.5 | Low | 60.4 | Low | 66 Ų | 66 | 85.7 Ų | 85.7 | 35% | 0.353 | 47% | 0.466 | S | S | . | . | trans | -93.6 | 8.9 | -174 | -138.1 | -18.7 | 0 | 0 | 0 | 120.4 | L131 V132 K133 L137 K138 | L131-D135 WeakPolarHBondContact O-CB 3.48Å; L131-D135 PolarHBondContact O-N 3.16Å; V132-D135 PolarHBondContact O-N 3.35Å; K133-D135 VanDerWaalsContact C-N 3.3Å; D135-L137 PolarHBondContact O-N 3.02Å; D135-K138 PolarHBondContact O-N 3.06Å; D135-K138 WeakPolarHBondContact OD1-CB 3.4Å; D135-K138 WeakPolarHBondContact OD1-CD 3.41Å; D135-K138 WeakPolarHBondContact OD1-CE 3.27Å; D135-K138 WeakPolarHBondContact OD1-CG 3.1Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.2Å | ||
| 136 | P | 47.5 | Very low | 57.6 | Low | 98 Ų | 98 | 85.7 Ų | 85.7 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -14.5 | -178.8 | -29.9 | 36 | 0 | 0 | 0 | 117.1 | K133 | K133-P136 WeakPolarHBondContact O-CD 3.26Š|
| 137 | L | 38.9 | Very low | 54.7 | Low | 133 Ų | 133 | 90.2 Ų | 90.2 | 70% | 0.696 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -14.4 | -174.1 | -72 | 165.8 | 0 | 0 | 0 | 115 | D135 S139 F144 | D135-L137 PolarHBondContact O-N 3.02Å; L137-S139 PolarHBondContact O-N 3.45Å; L137-S139 VanDerWaalsContact O-N 3.15Å; L137-F144 HydrophobicContact CB-CD1 4.48Å; L137-F144 HydrophobicContact CB-CE1 3.48Å; L137-F144 VanDerWaalsContact CB-CE1 3.48Å; L137-F144 HydrophobicContact CB-CZ 3.61Å; L137-F144 WeakPolarHBondContact O-CE2 3.39Å; L137-F144 WeakPolarHBondContact O-CZ 3.35Å |
| 138 | K | 37 | Very low | 52.3 | Low | 93 Ų | 93 | 97.3 Ų | 97.3 | 40% | 0.404 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -65.1 | -18.3 | -176.7 | -88.1 | -178.4 | -130.4 | -140.8 | 0 | 116.1 | D135 K140 F144 | D135-K138 PolarHBondContact O-N 3.06Å; D135-K138 WeakPolarHBondContact OD1-CB 3.4Å; D135-K138 WeakPolarHBondContact OD1-CD 3.41Å; D135-K138 WeakPolarHBondContact OD1-CE 3.27Å; D135-K138 WeakPolarHBondContact OD1-CG 3.1Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.2Å; K138-K140 PolarHBondContact O-N 3.21Å; K138-F144 HydrophobicContact CB-CD2 4.29Å; K138-F144 HydrophobicContact CB-CG 4.48Å; K138-F144 HydrophobicContact CD-CB 3.51Å; K138-F144 HydrophobicContact CD-CG 4.19Å; K138-F144 HydrophobicContact CG-CB 3.26Å; K138-F144 HydrophobicContact CG-CD1 4.09Å; K138-F144 HydrophobicContact CG-CD2 3.52Å; K138-F144 HydrophobicContact CG-CE2 4.36Å; K138-F144 HydrophobicContact CG-CG 3.36Å; K138-F144 PolarHBondContact NZ-O 3.47Å |
| 139 | S | 32 | Very low | 49.9 | Very low | 109 Ų | 109 | 98.4 Ų | 98.4 | 76% | 0.762 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -71 | 1.6 | -162.6 | 63.8 | 0 | 0 | 0 | 0 | 117 | L137 | L137-S139 PolarHBondContact O-N 3.45Å; L137-S139 VanDerWaalsContact O-N 3.15Å |
| 140 | K | 34.1 | Very low | 47.3 | Very low | 202 Ų | 202 | 100 Ų | 100 | 88% | 0.878 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -139 | 5.3 | 178.5 | -74.7 | -164.6 | 175.7 | -176.6 | 0 | 117 | K138 | K138-K140 PolarHBondContact O-N 3.21Š|
| 141 | S | 32.4 | Very low | 45.1 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 54% | 0.538 | 57% | 0.569 | S | S | . | * | trans | -145.4 | 136.5 | 170.1 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | G143 | S141-G143 PolarHBondContact O-N 3.21Š| ||
| 142 | E | 30.4 | Very low | 43.6 | Very low | 195 Ų | 195 | 110.6 Ų | 110.6 | 91% | 0.911 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -58.4 | 132.4 | 158.2 | -59.2 | 177.3 | 140.6 | 0 | 0 | 107.7 | ||
| 143 | G | 27.7 | Very low | 42.6 | Very low | 30 Ų | 30 | 112.1 Ų | 112.1 | 31% | 0.309 | 59% | 0.586 | S | S | . | * | trans | 111.7 | 63.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | S141 S146 | S141-G143 PolarHBondContact O-N 3.21Å; G143-S146 WeakPolarHBondContact CA-OG 3.17Å; G143-S146 PolarHBondContact O-OG 3.22Å | ||
| 144 | F | 32.4 | Very low | 42 | Very low | 56 Ų | 56 | 112.5 Ų | 112.5 | 25% | 0.246 | 60% | 0.599 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -121.8 | 37.8 | 164 | -77.3 | -106.6 | 0 | 0 | 0 | 112.4 | L137 K138 D147 | L137-F144 HydrophobicContact CB-CD1 4.48Å; L137-F144 HydrophobicContact CB-CE1 3.48Å; L137-F144 VanDerWaalsContact CB-CE1 3.48Å; L137-F144 HydrophobicContact CB-CZ 3.61Å; L137-F144 WeakPolarHBondContact O-CE2 3.39Å; L137-F144 WeakPolarHBondContact O-CZ 3.35Å; K138-F144 HydrophobicContact CB-CD2 4.29Å; K138-F144 HydrophobicContact CB-CG 4.48Å; K138-F144 HydrophobicContact CD-CB 3.51Å; K138-F144 HydrophobicContact CD-CG 4.19Å; K138-F144 HydrophobicContact CG-CB 3.26Å; K138-F144 HydrophobicContact CG-CD1 4.09Å; K138-F144 HydrophobicContact CG-CD2 3.52Å; K138-F144 HydrophobicContact CG-CE2 4.36Å; K138-F144 HydrophobicContact CG-CG 3.36Å; K138-F144 PolarHBondContact NZ-O 3.47Å; F144-D147 HydrophobicContact CD1-CB 4.29Å; F144-D147 HydrophobicContact CE1-CB 4.3Å |
| 145 | I | 35.5 | Very low | 42 | Very low | 142 Ų | 142 | 110.1 Ų | 110.1 | 73% | 0.728 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -22.8 | 133.6 | -66.3 | 174.8 | 0 | 0 | 0 | 108.3 | N149 | I145-N149 PolarHBondContact O-ND2 2.64Š|
| 146 | S | 31.6 | Very low | 42.8 | Very low | 41 Ų | 41 | 113.7 Ų | 113.7 | 29% | 0.287 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75.5 | -37.9 | -176.9 | 24.9 | 0 | 0 | 0 | 0 | 115.4 | G143 I148 N149 N150 | G143-S146 WeakPolarHBondContact CA-OG 3.17Å; G143-S146 PolarHBondContact O-OG 3.22Å; S146-I148 VanDerWaalsContact C-N 3.26Å; S146-I148 PolarHBondContact O-N 3.22Å; S146-N149 CarbonylContact O-C 3.24Å; S146-N149 VanDerWaalsContact O-C 3.24Å; S146-N149 WeakPolarHBondContact O-CA 3.29Å; S146-N149 PolarHBondContact O-N 3.2Å; S146-N150 WeakPolarHBondContact O-CA 3.37Å; S146-N150 VanDerWaalsContact O-CB 3.24Å; S146-N150 WeakPolarHBondContact O-CB 3.49Å; S146-N150 PolarHBondContact O-N 3.25Å; S146-N150 PolarHBondContact O-ND2 3.33Å |
| 147 | D | 33.1 | Very low | 44 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.9 | -12.2 | -170.5 | -85.7 | -8 | 0 | 0 | 0 | 117.4 | F144 N150 | F144-D147 HydrophobicContact CD1-CB 4.29Å; F144-D147 HydrophobicContact CE1-CB 4.3Å; D147-N150 PolarHBondContact OD1-ND2 3.12Å |
| 148 | I | 41.6 | Very low | 45.6 | Very low | 156 Ų | 156 | 108.6 Ų | 108.6 | 80% | 0.8 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -92.3 | -30.1 | 163.3 | -66 | 175.4 | 0 | 0 | 0 | 111.2 | S146 N150 | S146-I148 VanDerWaalsContact C-N 3.26Å; S146-I148 PolarHBondContact O-N 3.22Å; I148-N150 VanDerWaalsContact C-N 3.34Å |
| 149 | N | 39 | Very low | 47.5 | Very low | 118 Ų | 118 | 108.4 Ų | 108.4 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -82.7 | -7.2 | 175.7 | -64 | -4.5 | 0 | 0 | 0 | 113.7 | I145 S146 F151 | I145-N149 PolarHBondContact O-ND2 2.64Å; S146-N149 CarbonylContact O-C 3.24Å; S146-N149 VanDerWaalsContact O-C 3.24Å; S146-N149 WeakPolarHBondContact O-CA 3.29Å; S146-N149 PolarHBondContact O-N 3.2Å; N149-F151 PolarHBondContact O-N 3.45Å |
| 150 | N | 36.4 | Very low | 49.9 | Very low | 98 Ų | 98 | 105.6 Ų | 105.6 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | 13 | 176.7 | -81.3 | -18.6 | 0 | 0 | 0 | 111.4 | S146 D147 I148 R152 | S146-N150 WeakPolarHBondContact O-CA 3.37Å; S146-N150 VanDerWaalsContact O-CB 3.24Å; S146-N150 WeakPolarHBondContact O-CB 3.49Å; S146-N150 PolarHBondContact O-N 3.25Å; S146-N150 PolarHBondContact O-ND2 3.33Å; D147-N150 PolarHBondContact OD1-ND2 3.12Å; I148-N150 VanDerWaalsContact C-N 3.34Å; N150-R152 PolarHBondContact O-N 3.21Å |
| 151 | F | 42.6 | Very low | 52.3 | Low | 143 Ų | 143 | 102.4 Ų | 102.4 | 63% | 0.627 | 56% | 0.555 | S | S | * | * | trans | -62 | 87.5 | 161.3 | -174.1 | -96.9 | 0 | 0 | 0 | 109.5 | N149 L153 P154 | N149-F151 PolarHBondContact O-N 3.45Å; F151-L153 HydrophobicContact CD1-CD2 4.3Å; F151-L153 HydrophobicContact CE1-CD2 4.24Å; F151-L153 PolarHBondContact O-N 2.97Å; F151-P154 HydrophobicContact CZ-CG 4.33Å | ||
| 152 | R | 54.3 | Low | 54.6 | Low | 196 Ų | 196 | 107.8 Ų | 107.8 | 74% | 0.74 | 57% | 0.569 | S | S | * | * | trans | -61.9 | 105 | 173.9 | -176.2 | -178.7 | -174.6 | -178.8 | 2.9 | 108.6 | N150 | N150-R152 PolarHBondContact O-N 3.21Š| ||
| 153 | L | 65.3 | Low | 56.9 | Low | 138 Ų | 138 | 101.3 Ų | 101.3 | 72% | 0.723 | 54% | 0.538 | S | S | * | . | trans | -45 | 123.7 | 177.3 | -70.2 | 173.9 | 0 | 0 | 0 | 110.5 | F151 S155 | F151-L153 HydrophobicContact CD1-CD2 4.3Å; F151-L153 HydrophobicContact CE1-CD2 4.24Å; F151-L153 PolarHBondContact O-N 2.97Å; L153-S155 PolarHBondContact O-N 3.12Å; L153-S155 VanDerWaalsContact O-N 3.11Å | ||
| 154 | P | 67.3 | Low | 59.1 | Low | 106 Ų | 106 | 106.2 Ų | 106.2 | 69% | 0.688 | 56% | 0.557 | S | S | * | * | trans | -54.4 | 118.5 | -179.7 | -28.6 | 35.5 | 0 | 0 | 0 | 111 | F151 | F151-P154 HydrophobicContact CZ-CG 4.33Š| ||
| 155 | S | 71.4 | Confident | 60.7 | Low | 21 Ų | 21 | 106 Ų | 106 | 15% | 0.147 | 56% | 0.562 | C | S | . | * | trans | -97.6 | 124.7 | -175.7 | -150.4 | 0 | 0 | 0 | 0 | 109.9 | L153 T157 T158 R174 | L153-S155 PolarHBondContact O-N 3.12Å; L153-S155 VanDerWaalsContact O-N 3.11Å; S155-T157 PolarHBondContact O-N 2.86Å; S155-T157 VanDerWaalsContact O-N 3.15Å; S155-T157 PolarHBondContact OG-OG1 3.36Å; S155-T158 WeakPolarHBondContact CB-OG1 3.49Å; S155-T158 PolarHBondContact O-N 2.93Å; S155-T158 VanDerWaalsContact O-O 3.08Å; S155-T158 PolarHBondContact O-OG1 3.33Å; S155-R174 PolarHBondContact OG-NH2 3.19Å | ||
| 156 | L | 68.7 | Low | 61.8 | Low | 140 Ų | 140 | 105.1 Ų | 105.1 | 73% | 0.733 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -21.8 | 176.8 | -65.5 | 174.9 | 0 | 0 | 0 | 112.4 | H163 | L156-H163 PolarHBondContact O-NE2 3.32Š|
| 157 | T | 72.9 | Confident | 62.8 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | -7.1 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | S155 | S155-T157 PolarHBondContact O-N 2.86Å; S155-T157 VanDerWaalsContact O-N 3.15Å; S155-T157 PolarHBondContact OG-OG1 3.36Å |
| 158 | T | 72.6 | Confident | 63.7 | Low | 47 Ų | 47 | 109.6 Ų | 109.6 | 29% | 0.288 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -106.3 | 142.8 | 172.5 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | S155 H163 | S155-T158 WeakPolarHBondContact CB-OG1 3.49Å; S155-T158 PolarHBondContact O-N 2.93Å; S155-T158 VanDerWaalsContact O-O 3.08Å; S155-T158 PolarHBondContact O-OG1 3.33Å; T158-H163 PolarHBondContact O-CE1 2.96Å; T158-H163 PolarHBondContact O-NE2 2.94Å |
| 159 | P | 77 | Confident | 63.9 | Low | 88 Ų | 88 | 111.6 Ų | 111.6 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | trans | -62.5 | 138.7 | 172.1 | 27.6 | -33.6 | 0 | 0 | 0 | 110.8 | H163 | P159-H163 WeakPolarHBondContact CA-O 3.43Š| ||
| 160 | S | 81.4 | Confident | 64.3 | Low | 50 Ų | 50 | 113.6 Ų | 113.6 | 35% | 0.35 | 60% | 0.599 | S | S | . | * | trans | -129.1 | 172.9 | 174.1 | 83.3 | 0 | 0 | 0 | 0 | 109.9 | F162 H163 | S160-F162 PolarHBondContact O-N 2.92Å; S160-F162 VanDerWaalsContact O-N 3.13Å; S160-F162 PolarHBondContact OG-N 3.41Å; S160-H163 PolarHBondContact N-O 3.41Å; S160-H163 PolarHBondContact O-N 3.41Å; S160-H163 VanDerWaalsContact O-O 3.1Å; S160-H163 PolarHBondContact OG-CE1 2.93Å; S160-H163 PolarHBondContact OG-N 2.91Å; S160-H163 PolarHBondContact OG-ND1 3.45Å | ||
| 161 | V | 85.2 | Confident | 64.6 | Low | 136 Ų | 136 | 115 Ų | 115 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -64.5 | -10.9 | 172 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 162 | F | 80.9 | Confident | 64.7 | Low | 190 Ų | 190 | 114.6 Ų | 114.6 | 83% | 0.833 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -105.8 | -21.1 | 179.8 | -54.2 | -65.4 | 0 | 0 | 0 | 113.6 | S160 | S160-F162 PolarHBondContact O-N 2.92Å; S160-F162 VanDerWaalsContact O-N 3.13Å; S160-F162 PolarHBondContact OG-N 3.41Å |
| 163 | H | 79.2 | Confident | 64.1 | Low | 58 Ų | 58 | 112.9 Ų | 112.9 | 27% | 0.269 | 62% | 0.615 | S | S | . | * | trans | -157.1 | 145.7 | -176.8 | 80.8 | -70.8 | 0 | 0 | 0 | 112.9 | L156 T158 P159 S160 | L156-H163 PolarHBondContact O-NE2 3.32Å; T158-H163 PolarHBondContact O-CE1 2.96Å; T158-H163 PolarHBondContact O-NE2 2.94Å; P159-H163 WeakPolarHBondContact CA-O 3.43Å; S160-H163 PolarHBondContact N-O 3.41Å; S160-H163 PolarHBondContact O-N 3.41Å; S160-H163 VanDerWaalsContact O-O 3.1Å; S160-H163 PolarHBondContact OG-CE1 2.93Å; S160-H163 PolarHBondContact OG-N 2.91Å; S160-H163 PolarHBondContact OG-ND1 3.45Å | ||
| 164 | N | 72.9 | Confident | 62.9 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | trans | -92.3 | 142.7 | 158.9 | -83.3 | -46.3 | 0 | 0 | 0 | 109.1 | V166 | N164-V166 PolarHBondContact O-N 3.16Å; N164-V166 VanDerWaalsContact O-N 3.15Å | ||
| 165 | P | 67 | Low | 61.2 | Low | 52 Ų | 52 | 116.3 Ų | 116.3 | 34% | 0.338 | 62% | 0.616 | S | S | . | * | trans | -71.2 | 111.8 | 176.3 | 29.9 | -34.1 | 0 | 0 | 0 | 109.2 | ||||
| 166 | V | 57.2 | Low | 59.2 | Low | 123 Ų | 123 | 121.8 Ų | 121.8 | 75% | 0.745 | 64% | 0.644 | S | S | * | * | trans | -61.2 | 147.3 | 160.2 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | N164 I168 | N164-V166 PolarHBondContact O-N 3.16Å; N164-V166 VanDerWaalsContact O-N 3.15Å; V166-I168 PolarHBondContact O-N 3.09Å | ||
| 167 | S | 53.5 | Low | 57.4 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | trans | -69.2 | 71.4 | -174.2 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | K169 | S167-K169 PolarHBondContact O-N 2.78Å; S167-K169 VanDerWaalsContact O-N 3.13Å | ||
| 168 | I | 51.1 | Low | 55.3 | Low | 122 Ų | 122 | 123 Ų | 123 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | trans | -76.2 | 95.9 | 172.8 | -62.4 | 173 | 0 | 0 | 0 | 107.5 | V166 E170 | V166-I168 PolarHBondContact O-N 3.09Å; I168-E170 HydrophobicContact CG2-CB 3.93Å; I168-E170 PolarHBondContact O-N 2.68Å | ||
| 169 | K | 45.5 | Very low | 53.2 | Low | 197 Ų | 197 | 126.3 Ų | 126.3 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | trans | -74.2 | 69.6 | 168.4 | -75.9 | -173.6 | 172.3 | -176.7 | 0 | 110.4 | S167 | S167-K169 PolarHBondContact O-N 2.78Å; S167-K169 VanDerWaalsContact O-N 3.13Å | ||
| 170 | E | 48.6 | Very low | 50.9 | Low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -141.8 | 131.1 | 174.2 | -119.5 | 159 | -144.1 | 0 | 0 | 111.6 | I168 I172 | I168-E170 HydrophobicContact CG2-CB 3.93Å; I168-E170 PolarHBondContact O-N 2.68Å; E170-I172 PolarHBondContact O-N 2.85Å | ||
| 171 | T | 41.3 | Very low | 48.4 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -84.5 | 95.9 | -164.2 | -43.6 | 0 | 0 | 0 | 0 | 110.9 | E173 | T171-E173 HydrophobicContact CG2-CG 4.21Å; T171-E173 PolarHBondContact O-N 3.44Å | ||
| 172 | I | 45.4 | Very low | 45.9 | Very low | 134 Ų | 134 | 136 Ų | 136 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | trans | -83.8 | 92.4 | 169.2 | -54.9 | 179.4 | 0 | 0 | 0 | 108.7 | E170 R174 | E170-I172 PolarHBondContact O-N 2.85Å; I172-R174 PolarHBondContact O-N 3.47Å | ||
| 173 | E | 41.1 | Very low | 43.5 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | trans | -63.5 | 125.6 | 168.7 | -64.3 | -173.3 | 147 | 0 | 0 | 109.9 | T171 N175 | T171-E173 HydrophobicContact CG2-CG 4.21Å; T171-E173 PolarHBondContact O-N 3.44Å; E173-N175 PolarHBondContact O-N 2.61Å | ||
| 174 | R | 39.8 | Very low | 41.3 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | trans | -85.9 | 104.8 | 174 | -77.2 | -175.4 | 172.7 | 76.9 | 3.1 | 109.6 | S155 I172 D176 | S155-R174 PolarHBondContact OG-NH2 3.19Å; I172-R174 PolarHBondContact O-N 3.47Å; R174-D176 PolarHBondContact O-N 2.87Å | ||
| 175 | N | 31.8 | Very low | 39.3 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -85.6 | 97.1 | 159.8 | -81.2 | -36.6 | 0 | 0 | 0 | 108.9 | E173 A177 | E173-N175 PolarHBondContact O-N 2.61Å; N175-A177 VanDerWaalsContact C-N 3.26Å; N175-A177 PolarHBondContact O-N 3.29Å | ||
| 176 | D | 31.2 | Very low | 37.9 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -72.3 | 81.3 | 174 | -69.6 | -34.7 | 0 | 0 | 0 | 110.1 | R174 N178 | R174-D176 PolarHBondContact O-N 2.87Å; D176-N178 PolarHBondContact O-N 3.35Å | ||
| 177 | A | 30.7 | Very low | 37.9 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | -69.6 | 86.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N175 V179 | N175-A177 VanDerWaalsContact C-N 3.26Å; N175-A177 PolarHBondContact O-N 3.29Å; A177-V179 VanDerWaalsContact C-N 3.29Å; A177-V179 PolarHBondContact O-N 3.3Å | ||
| 178 | N | 28.3 | Very low | 38.1 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | -69.8 | 77.2 | 178.3 | -118.7 | -35.7 | 0 | 0 | 0 | 111.6 | D176 K180 | D176-N178 PolarHBondContact O-N 3.35Å; N178-K180 PolarHBondContact O-N 2.97Å; N178-K180 VanDerWaalsContact O-N 3.07Å | ||
| 179 | V | 28.9 | Very low | 38.9 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | trans | -74 | 97.4 | 177.1 | -178.4 | 0 | 0 | 0 | 0 | 110 | A177 T181 | A177-V179 VanDerWaalsContact C-N 3.29Å; A177-V179 PolarHBondContact O-N 3.3Å; V179-T181 PolarHBondContact O-N 3.2Å | ||
| 180 | K | 26.9 | Very low | 40.5 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 81% | 0.809 | 69% | 0.692 | S | S | * | * | trans | -75.6 | 104.1 | 161.7 | -74.2 | -177.3 | 176.9 | 179.1 | 0 | 109.1 | N178 E182 | N178-K180 PolarHBondContact O-N 2.97Å; N178-K180 VanDerWaalsContact O-N 3.07Å; K180-E182 PolarHBondContact O-N 3.32Å | ||
| 181 | T | 30.7 | Very low | 42.1 | Very low | 115 Ų | 115 | 125 Ų | 125 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | trans | -79.4 | 107.7 | 169.5 | -41.9 | 0 | 0 | 0 | 0 | 109 | V179 | V179-T181 PolarHBondContact O-N 3.2Š| ||
| 182 | E | 32.5 | Very low | 44.2 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | trans | -69.9 | 142.4 | -179.9 | -60.1 | -171.1 | 140.9 | 0 | 0 | 111.6 | K180 | K180-E182 PolarHBondContact O-N 3.32Š| ||
| 183 | S | 29.3 | Very low | 46.2 | Very low | 117 Ų | 117 | 116.3 Ų | 116.3 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -106.4 | 98.5 | -171.2 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | N185 | S183-N185 PolarHBondContact O-N 3.04Š| ||
| 184 | E | 32.8 | Very low | 48.6 | Very low | 176 Ų | 176 | 109.3 Ų | 109.3 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | trans | -78.7 | 120.8 | 178.2 | -68 | -156.8 | 118.1 | 0 | 0 | 113.7 | L186 | E184-L186 PolarHBondContact O-N 2.92Š| ||
| 185 | N | 32.1 | Very low | 51 | Low | 142 Ų | 142 | 102.8 Ų | 102.8 | 76% | 0.759 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 48 | 63.3 | 134.6 | -60.7 | -38.7 | 0 | 0 | 0 | 118.3 | S183 | S183-N185 PolarHBondContact O-N 3.04Š|
| 186 | L | 37 | Very low | 53.9 | Low | 69 Ų | 69 | 95.9 Ų | 95.9 | 36% | 0.361 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -120.1 | 172.6 | 138 | -133.6 | 76.9 | 0 | 0 | 0 | 109.7 | E184 P188 V191 P243 | E184-L186 PolarHBondContact O-N 2.92Å; L186-P188 WeakPolarHBondContact O-CD 3.47Å; L186-V191 HydrophobicContact CB-CG2 3.92Å; L186-V191 HydrophobicContact CD2-CG2 3.41Å; L186-V191 VanDerWaalsContact CD2-CG2 3.41Å; L186-V191 HydrophobicContact CG-CG2 4.29Å; L186-P243 HydrophobicContact CD1-CB 3.31Å; L186-P243 HydrophobicContact CD1-CG 3.78Å; L186-P243 HydrophobicContact CD2-CB 3.74Å; L186-P243 HydrophobicContact CD2-CG 4.14Å; L186-P243 HydrophobicContact CG-CB 4.17Å |
| 187 | N | 57.1 | Low | 56.9 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | trans | -63 | 99.6 | 165.6 | -175.6 | -9.7 | 0 | 0 | 0 | 107.7 | L189 R190 | N187-L189 VanDerWaalsContact C-N 3.29Å; N187-L189 PolarHBondContact O-N 3.21Å; N187-R190 PolarHBondContact O-N 3.19Å; N187-R190 VanDerWaalsContact O-N 3.14Å | ||
| 188 | P | 58.3 | Low | 60 | Low | 81 Ų | 81 | 85.5 Ų | 85.5 | 53% | 0.526 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.7 | -30.9 | -146.9 | 27.1 | -33.7 | 0 | 0 | 0 | 111.3 | L186 R190 V191 S192 | L186-P188 WeakPolarHBondContact O-CD 3.47Å; P188-R190 VanDerWaalsContact C-N 3.25Å; P188-R190 PolarHBondContact O-N 3.2Å; P188-V191 PolarHBondContact O-N 2.77Å; P188-S192 WeakPolarHBondContact O-CB 3.26Å; P188-S192 PolarHBondContact O-N 3.29Å; P188-S192 PolarHBondContact O-OG 2.93Å |
| 189 | L | 67.4 | Low | 63.1 | Low | 128 Ų | 128 | 82 Ų | 82 | 67% | 0.67 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -53.1 | -39.7 | 176.4 | -56.1 | 176.9 | 0 | 0 | 0 | 112.4 | N187 A193 | N187-L189 VanDerWaalsContact C-N 3.29Å; N187-L189 PolarHBondContact O-N 3.21Å; L189-A193 WeakPolarHBondContact O-CB 3.42Å; L189-A193 PolarHBondContact O-N 3.45Å |
| 190 | R | 79.2 | Confident | 66.3 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | -179.6 | -78 | -177.6 | 167 | -179 | -5.4 | 112.3 | Y83 E120 N187 P188 I194 | Y83-R190 PolarHBondContact OH-NE 3.42Å; E120-R190 IonicContact OE1-CZ 3.73Å; E120-R190 VanDerWaalsContact OE1-CZ 3.22Å; E120-R190 IonicContact OE1-NE 3.99Å; E120-R190 PolarHBondContact OE1-NE 3.31Å; E120-R190 IonicContact OE1-NH2 3.39Å; E120-R190 PolarHBondContact OE1-NH2 3.12Å; E120-R190 IonicContact OE2-CZ 2.64Å; E120-R190 IonicContact OE2-NE 2.67Å; E120-R190 IonicContact OE2-NH2 3.5Å; E120-R190 PolarHBondContact OE2-NH2 2.76Å; N187-R190 PolarHBondContact O-N 3.19Å; N187-R190 VanDerWaalsContact O-N 3.14Å; P188-R190 VanDerWaalsContact C-N 3.25Å; P188-R190 PolarHBondContact O-N 3.2Å; R190-I194 WeakPolarHBondContact O-CD1 3.38Å; R190-I194 VanDerWaalsContact O-CG1 3.27Å; R190-I194 WeakPolarHBondContact O-CG1 3.35Å; R190-I194 PolarHBondContact O-N 3.08Å; R190-I194 VanDerWaalsContact O-N 3.12Å |
| 191 | V | 82.9 | Confident | 69.6 | Low | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.7 | -44.7 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | L186 P188 A193 I194 I195 L248 | L186-V191 HydrophobicContact CB-CG2 3.92Å; L186-V191 HydrophobicContact CD2-CG2 3.41Å; L186-V191 VanDerWaalsContact CD2-CG2 3.41Å; L186-V191 HydrophobicContact CG-CG2 4.29Å; P188-V191 PolarHBondContact O-N 2.77Å; V191-A193 VanDerWaalsContact C-N 3.31Å; V191-A193 PolarHBondContact O-N 3.48Å; V191-I194 PolarHBondContact O-N 2.87Å; V191-I195 HydrophobicContact CG1-CD1 3.99Å; V191-I195 WeakPolarHBondContact O-CG1 3.37Å; V191-I195 PolarHBondContact O-N 3.32Å; V191-L248 HydrophobicContact CG1-CB 4.37Å; V191-L248 HydrophobicContact CG1-CD2 4.48Å |
| 192 | S | 84.1 | Confident | 72.7 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | P188 I195 C196 | P188-S192 WeakPolarHBondContact O-CB 3.26Å; P188-S192 PolarHBondContact O-N 3.29Å; P188-S192 PolarHBondContact O-OG 2.93Å; S192-I195 PolarHBondContact O-N 2.85Å; S192-C196 VanDerWaalsContact O-CB 3.26Å; S192-C196 WeakPolarHBondContact O-CB 3.42Å; S192-C196 PolarHBondContact O-N 2.83Å |
| 193 | A | 88.2 | Confident | 75.7 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L124 C127 L189 V191 C196 L197 | L124-A193 HydrophobicContact CD2-CB 3.81Å; C127-A193 HydrophobicContact CB-CB 4.43Å; L189-A193 WeakPolarHBondContact O-CB 3.42Å; L189-A193 PolarHBondContact O-N 3.45Å; V191-A193 VanDerWaalsContact C-N 3.31Å; V191-A193 PolarHBondContact O-N 3.48Å; A193-C196 PolarHBondContact O-N 3.11Å; A193-L197 WeakPolarHBondContact O-CB 3.21Å; A193-L197 WeakPolarHBondContact O-CD1 3.35Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.03Å |
| 194 | I | 91.1 | Very high | 78.7 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 175.2 | -64.6 | 160.6 | 0 | 0 | 0 | 110.4 | L80 L84 R190 V191 C196 L197 V198 F229 L248 | L80-I194 HydrophobicContact CD2-CG1 4.22Å; L84-I194 HydrophobicContact CD1-CD1 4.42Å; L84-I194 HydrophobicContact CD2-CD1 3.95Å; R190-I194 WeakPolarHBondContact O-CD1 3.38Å; R190-I194 VanDerWaalsContact O-CG1 3.27Å; R190-I194 WeakPolarHBondContact O-CG1 3.35Å; R190-I194 PolarHBondContact O-N 3.08Å; R190-I194 VanDerWaalsContact O-N 3.12Å; V191-I194 PolarHBondContact O-N 2.87Å; I194-C196 PolarHBondContact O-N 2.85Å; I194-L197 PolarHBondContact O-N 3.23Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.99Å; I194-F229 HydrophobicContact CG2-CZ 4.1Å; I194-L248 HydrophobicContact CG2-CD1 3.8Å |
| 195 | I | 91.4 | Very high | 81.7 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.4 | -50.8 | 175 | -72.6 | 170.1 | 0 | 0 | 0 | 110.6 | V191 S192 L197 V198 Q199 L248 V251 | V191-I195 HydrophobicContact CG1-CD1 3.99Å; V191-I195 WeakPolarHBondContact O-CG1 3.37Å; V191-I195 PolarHBondContact O-N 3.32Å; S192-I195 PolarHBondContact O-N 2.85Å; I195-L197 PolarHBondContact O-N 3.19Å; I195-V198 PolarHBondContact O-N 3.46Å; I195-Q199 HydrophobicContact CG2-CG 4.49Å; I195-Q199 WeakPolarHBondContact O-CG 3.39Å; I195-Q199 PolarHBondContact O-N 3.04Å; I195-L248 HydrophobicContact CD1-CB 4.15Å; I195-L248 HydrophobicContact CG1-CB 4.02Å; I195-L248 HydrophobicContact CG1-CD1 3.96Å; I195-V251 HydrophobicContact CG2-CG2 4.21Å |
| 196 | C | 92.1 | Very high | 84.7 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 178.7 | 174.7 | 0 | 0 | 0 | 0 | 113 | Y130 S192 A193 I194 Q199 N200 | Y130-C196 WeakPolarHBondContact CD1-SG 3.23Å; S192-C196 VanDerWaalsContact O-CB 3.26Å; S192-C196 WeakPolarHBondContact O-CB 3.42Å; S192-C196 PolarHBondContact O-N 2.83Å; A193-C196 PolarHBondContact O-N 3.11Å; I194-C196 PolarHBondContact O-N 2.85Å; C196-Q199 PolarHBondContact O-N 2.91Å; C196-N200 WeakPolarHBondContact O-CB 3.45Å; C196-N200 PolarHBondContact O-N 3.46Å |
| 197 | L | 94.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.6 | -32.3 | 177.5 | -71.1 | 167 | 0 | 0 | 0 | 112.7 | L76 L80 L123 I126 C127 A193 I194 I195 Y201 | L76-L197 HydrophobicContact CD1-CD2 4.1Å; L76-L197 HydrophobicContact CD2-CD2 4.17Å; L80-L197 HydrophobicContact CD1-CB 4.27Å; L80-L197 HydrophobicContact CD2-CD1 3.99Å; L123-L197 HydrophobicContact CB-CD1 3.9Å; L123-L197 HydrophobicContact CD2-CD1 4.15Å; I126-L197 HydrophobicContact CB-CD2 3.99Å; I126-L197 HydrophobicContact CG2-CD2 3.46Å; I126-L197 VanDerWaalsContact CG2-CD2 3.46Å; C127-L197 HydrophobicContact CB-CD2 4.25Å; C127-L197 HydrophobicContact CB-CG 4.21Å; A193-L197 WeakPolarHBondContact O-CB 3.21Å; A193-L197 WeakPolarHBondContact O-CD1 3.35Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.03Å; I194-L197 PolarHBondContact O-N 3.23Å; I195-L197 PolarHBondContact O-N 3.19Å; L197-Y201 PolarHBondContact O-N 3.18Å; L197-Y201 VanDerWaalsContact O-N 3.12Å |
| 198 | V | 95.3 | Very high | 89 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.7 | -33.4 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | L80 I194 I195 Y201 I202 F226 F229 V251 C255 | L80-V198 HydrophobicContact CD1-CG2 4.23Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.99Å; I195-V198 PolarHBondContact O-N 3.46Å; V198-Y201 CarbonylContact O-C 3.59Å; V198-Y201 WeakPolarHBondContact O-CA 3.48Å; V198-Y201 WeakPolarHBondContact O-CB 3.38Å; V198-Y201 PolarHBondContact O-N 2.88Å; V198-Y201 VanDerWaalsContact O-N 3.15Å; V198-I202 HydrophobicContact CG1-CD1 4.25Å; V198-I202 HydrophobicContact CG1-CG1 4.45Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.48Å; V198-I202 PolarHBondContact O-N 3.25Å; V198-F226 HydrophobicContact CG1-CE2 4.22Å; V198-F229 HydrophobicContact CG2-CE1 3.67Å; V198-F229 HydrophobicContact CG2-CZ 3.81Å; V198-V251 HydrophobicContact CB-CG1 3.82Å; V198-V251 HydrophobicContact CG1-CG1 3.61Å; V198-C255 HydrophobicContact CG1-CB 4.33Å |
| 199 | Q | 94.5 | Very high | 90.6 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 171.7 | -74 | 170.6 | -33.8 | 0 | 0 | 112 | I195 C196 Y201 I202 E203 V251 | I195-Q199 HydrophobicContact CG2-CG 4.49Å; I195-Q199 WeakPolarHBondContact O-CG 3.39Å; I195-Q199 PolarHBondContact O-N 3.04Å; C196-Q199 PolarHBondContact O-N 2.91Å; Q199-Y201 VanDerWaalsContact C-N 3.26Å; Q199-Y201 PolarHBondContact O-N 3.18Å; Q199-I202 WeakPolarHBondContact O-CB 3.47Å; Q199-I202 PolarHBondContact O-N 2.87Å; Q199-E203 PolarHBondContact O-N 3.34Å; Q199-V251 HydrophobicContact CG-CG1 4.1Å; Q199-V251 HydrophobicContact CG-CG2 4.34Å |
| 200 | N | 94.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.6 | -38 | 170.2 | 177.6 | 35 | 0 | 0 | 0 | 112.1 | Y61 Y130 C196 I204 | Y61-N200 PolarHBondContact OH-ND2 3.23Å; Y61-N200 VanDerWaalsContact OH-ND2 3.11Å; Y61-N200 PolarHBondContact OH-OD1 3.29Å; Y130-N200 HydrophobicContact CD1-CB 4.34Å; Y130-N200 HydrophobicContact CD2-CB 3.59Å; Y130-N200 WeakPolarHBondContact CD2-OD1 3.44Å; Y130-N200 HydrophobicContact CE1-CB 4.35Å; Y130-N200 HydrophobicContact CE2-CB 3.63Å; Y130-N200 HydrophobicContact CG-CB 3.95Å; C196-N200 WeakPolarHBondContact O-CB 3.45Å; C196-N200 PolarHBondContact O-N 3.46Å; N200-I204 WeakPolarHBondContact O-CG1 3.48Å; N200-I204 PolarHBondContact O-N 3.15Å; N200-I204 VanDerWaalsContact O-N 3.16Å |
| 201 | Y | 97.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 173.8 | -176 | -105.5 | 0 | 0 | 0 | 113 | V73 L74 P77 L197 V198 Q199 L205 S222 F226 | V73-Y201 HydrophobicContact CG1-CD2 3.96Å; V73-Y201 WeakPolarHBondContact O-CD2 3.33Å; L74-Y201 HydrophobicContact CD2-CE2 4.39Å; P77-Y201 HydrophobicContact CG-CD2 3.94Å; P77-Y201 HydrophobicContact CG-CE1 4.15Å; P77-Y201 HydrophobicContact CG-CE2 3.52Å; P77-Y201 HydrophobicContact CG-CG 4.41Å; L197-Y201 PolarHBondContact O-N 3.18Å; L197-Y201 VanDerWaalsContact O-N 3.12Å; V198-Y201 CarbonylContact O-C 3.59Å; V198-Y201 WeakPolarHBondContact O-CA 3.48Å; V198-Y201 WeakPolarHBondContact O-CB 3.38Å; V198-Y201 PolarHBondContact O-N 2.88Å; V198-Y201 VanDerWaalsContact O-N 3.15Å; Q199-Y201 VanDerWaalsContact C-N 3.26Å; Q199-Y201 PolarHBondContact O-N 3.18Å; Y201-L205 HydrophobicContact CE1-CD2 4.1Å; Y201-L205 WeakPolarHBondContact O-CB 3.24Å; Y201-L205 PolarHBondContact O-N 3.19Å; Y201-S222 VanDerWaalsContact CE2-OG 3.27Å; Y201-S222 WeakPolarHBondContact CE2-OG 3.13Å; Y201-S222 PolarHBondContact OH-O 3.38Å; Y201-S222 PolarHBondContact OH-OG 3.09Å; Y201-F226 HydrophobicContact CD1-CD2 4.15Å; Y201-F226 HydrophobicContact CE1-CB 4.2Å; Y201-F226 AromaticContact CE1-CD2 3.84Å; Y201-F226 HydrophobicContact CE1-CD2 3.84Å; Y201-F226 HydrophobicContact CE1-CG 4.13Å |
| 202 | I | 96.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 18% | 0.179 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -48.1 | 174.8 | -69.4 | 165.3 | 0 | 0 | 0 | 110.6 | V198 Q199 L205 S206 V251 D254 C255 L258 | V198-I202 HydrophobicContact CG1-CD1 4.25Å; V198-I202 HydrophobicContact CG1-CG1 4.45Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.48Å; V198-I202 PolarHBondContact O-N 3.25Å; Q199-I202 WeakPolarHBondContact O-CB 3.47Å; Q199-I202 PolarHBondContact O-N 2.87Å; I202-L205 PolarHBondContact O-N 3.32Å; I202-S206 WeakPolarHBondContact O-CB 3.37Å; I202-S206 PolarHBondContact O-N 2.84Å; I202-V251 HydrophobicContact CD1-CG1 3.88Å; I202-D254 HydrophobicContact CD1-CB 4.32Å; I202-C255 HydrophobicContact CD1-CB 3.84Å; I202-C255 HydrophobicContact CG1-CB 3.64Å; I202-L258 HydrophobicContact CB-CD2 4.46Å; I202-L258 HydrophobicContact CG2-CD2 3.82Å |
| 203 | E | 94.3 | Very high | 92.4 | Very high | 85 Ų | 85 | 38.3 Ų | 38.3 | 40% | 0.397 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.1 | -55 | 179.9 | -173.2 | -173.6 | 139.9 | 0 | 0 | 110.7 | Y130 Q199 L205 S206 T207 | Y130-E203 WeakPolarHBondContact CE2-OE2 3.27Å; Y130-E203 PolarHBondContact OH-OE2 2.87Å; Q199-E203 PolarHBondContact O-N 3.34Å; E203-L205 PolarHBondContact O-N 2.85Å; E203-S206 WeakPolarHBondContact O-CB 3.27Å; E203-S206 PolarHBondContact O-N 3.48Å; E203-S206 PolarHBondContact O-OG 3.38Å; E203-T207 PolarHBondContact O-N 2.89Å |
| 204 | I | 93.7 | Very high | 92.2 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 179 | -66.8 | -57.4 | 0 | 0 | 0 | 111.7 | N70 V73 N200 S206 T207 I208 | N70-I204 HydrophobicContact CB-CG2 4.29Å; N70-I204 WeakPolarHBondContact OD1-CG2 3.32Å; V73-I204 HydrophobicContact CB-CB 4.32Å; V73-I204 HydrophobicContact CB-CG1 4.13Å; V73-I204 HydrophobicContact CB-CG2 4.23Å; V73-I204 HydrophobicContact CG1-CB 3.72Å; V73-I204 HydrophobicContact CG1-CG1 3.83Å; V73-I204 HydrophobicContact CG1-CG2 4Å; V73-I204 HydrophobicContact CG2-CG1 4.11Å; N200-I204 WeakPolarHBondContact O-CG1 3.48Å; N200-I204 PolarHBondContact O-N 3.15Å; N200-I204 VanDerWaalsContact O-N 3.16Å; I204-S206 PolarHBondContact O-N 2.64Å; I204-T207 PolarHBondContact O-N 3.13Å; I204-T207 PolarHBondContact O-OG1 2.75Å; I204-I208 HydrophobicContact CG2-CD1 3.7Å; I204-I208 HydrophobicContact CG2-CG1 4.33Å; I204-I208 WeakPolarHBondContact O-CG1 3.32Å; I204-I208 PolarHBondContact O-N 3.05Å; I204-I208 VanDerWaalsContact O-N 3.13Å |
| 205 | L | 95 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -32.1 | 177.4 | -177.6 | 63.1 | 0 | 0 | 0 | 112.3 | Y201 I202 E203 T207 I208 V219 L223 L258 I259 K262 | Y201-L205 HydrophobicContact CE1-CD2 4.1Å; Y201-L205 WeakPolarHBondContact O-CB 3.24Å; Y201-L205 PolarHBondContact O-N 3.19Å; I202-L205 PolarHBondContact O-N 3.32Å; E203-L205 PolarHBondContact O-N 2.85Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.4Å; L205-I208 PolarHBondContact O-N 3.49Å; L205-V219 HydrophobicContact CD1-CG1 4.32Å; L205-L223 HydrophobicContact CD1-CD2 4.14Å; L205-L223 HydrophobicContact CD2-CD2 3.97Å; L205-L258 HydrophobicContact CB-CD2 4.35Å; L205-L258 HydrophobicContact CD2-CD2 4.22Å; L205-L258 HydrophobicContact CD2-CG 4.41Å; L205-L258 HydrophobicContact CG-CD2 4.28Å; L205-I259 HydrophobicContact CD2-CD1 4.41Å; L205-I259 HydrophobicContact CD2-CG1 3.68Å; L205-K262 WeakPolarHBondContact O-CE 3.25Å; L205-K262 PolarHBondContact O-NZ 2.82Å |
| 206 | S | 94.4 | Very high | 92 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 43% | 0.434 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 174.5 | 83.6 | 0 | 0 | 0 | 0 | 112 | I202 E203 I204 K262 | I202-S206 WeakPolarHBondContact O-CB 3.37Å; I202-S206 PolarHBondContact O-N 2.84Å; E203-S206 WeakPolarHBondContact O-CB 3.27Å; E203-S206 PolarHBondContact O-N 3.48Å; E203-S206 PolarHBondContact O-OG 3.38Å; I204-S206 PolarHBondContact O-N 2.64Å; S206-K262 PolarHBondContact O-NZ 3.45Å |
| 207 | T | 93 | Very high | 91.9 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -77.3 | -24.3 | 177.8 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | E203 I204 L205 | E203-T207 PolarHBondContact O-N 2.89Å; I204-T207 PolarHBondContact O-N 3.13Å; I204-T207 PolarHBondContact O-OG1 2.75Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.4Å |
| 208 | I | 92.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | trans | -74.6 | 131.2 | -175.2 | -74.9 | 170.4 | 0 | 0 | 0 | 111.5 | N70 L74 I204 L205 V219 K262 | N70-I208 HydrophobicContact CB-CD1 4.42Å; L74-I208 HydrophobicContact CD1-CD1 4.05Å; L74-I208 HydrophobicContact CD2-CD1 3.98Å; L74-I208 HydrophobicContact CG-CD1 4.18Å; I204-I208 HydrophobicContact CG2-CD1 3.7Å; I204-I208 HydrophobicContact CG2-CG1 4.33Å; I204-I208 WeakPolarHBondContact O-CG1 3.32Å; I204-I208 PolarHBondContact O-N 3.05Å; I204-I208 VanDerWaalsContact O-N 3.13Å; L205-I208 PolarHBondContact O-N 3.49Å; I208-V219 HydrophobicContact CD1-CG2 4.46Å; I208-V219 HydrophobicContact CG2-CG1 4.31Å; I208-V219 HydrophobicContact CG2-CG2 3.66Å; I208-K262 PolarHBondContact O-NZ 2.99Å | ||
| 209 | D | 90.8 | Very high | 91.8 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | trans | -87.5 | 128.3 | 165.1 | 171.8 | 33 | 0 | 0 | 0 | 110.7 | Q211 N212 | D209-Q211 VanDerWaalsContact C-N 3.35Å; D209-Q211 WeakPolarHBondContact OD1-CB 3.08Å; D209-Q211 WeakPolarHBondContact OD1-CG 3.35Å; D209-Q211 PolarHBondContact OD1-N 3.28Å; D209-Q211 WeakPolarHBondContact OD2-CB 3.34Å; D209-N212 PolarHBondContact OD2-N 3.38Å | ||
| 210 | L | 90.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -80.2 | -16.1 | 178.1 | -77.2 | 72.6 | 0 | 0 | 0 | 112.4 | N212 S216 V219 F220 L223 K262 L263 F266 | L210-N212 VanDerWaalsContact C-N 3.3Å; L210-S216 VanDerWaalsContact O-CB 3.31Å; L210-S216 WeakPolarHBondContact O-CB 3.5Å; L210-V219 HydrophobicContact CD1-CG1 4.48Å; L210-V219 HydrophobicContact CG-CG1 4.13Å; L210-F220 HydrophobicContact CD2-CE1 3.91Å; L210-F220 HydrophobicContact CD2-CZ 4.18Å; L210-L223 HydrophobicContact CD2-CD1 4.49Å; L210-K262 HydrophobicContact CD1-CB 4.01Å; L210-K262 HydrophobicContact CD1-CD 3.79Å; L210-K262 HydrophobicContact CD1-CG 4.33Å; L210-K262 HydrophobicContact CD2-CB 4.33Å; L210-L263 HydrophobicContact CD2-CD2 4.42Å; L210-F266 HydrophobicContact CB-CB 4.33Å; L210-F266 HydrophobicContact CB-CD2 3.65Å; L210-F266 HydrophobicContact CB-CE2 4.44Å; L210-F266 HydrophobicContact CB-CG 4.33Å; L210-F266 HydrophobicContact CD2-CB 4.21Å; L210-F266 WeakPolarHBondContact O-CE2 3.46Å |
| 211 | Q | 87.8 | Confident | 91.8 | Very high | 102 Ų | 102 | 44.7 Ų | 44.7 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -74.5 | -22.1 | 176.6 | -54.9 | -177.5 | 23.6 | 0 | 0 | 112.3 | D209 P213 | D209-Q211 VanDerWaalsContact C-N 3.35Å; D209-Q211 WeakPolarHBondContact OD1-CB 3.08Å; D209-Q211 WeakPolarHBondContact OD1-CG 3.35Å; D209-Q211 PolarHBondContact OD1-N 3.28Å; D209-Q211 WeakPolarHBondContact OD2-CB 3.34Å; Q211-P213 VanDerWaalsContact O-CD 3.25Å; Q211-P213 WeakPolarHBondContact O-CD 3.15Å; Q211-P213 VanDerWaalsContact O-N 3.12Å |
| 212 | N | 88.1 | Confident | 91.8 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | trans | -61 | 110.6 | 178.5 | -176.8 | -29.1 | 0 | 0 | 0 | 111.4 | D209 L210 I214 M215 S216 | D209-N212 PolarHBondContact OD2-N 3.38Å; L210-N212 VanDerWaalsContact C-N 3.3Å; N212-I214 PolarHBondContact O-N 2.67Å; N212-I214 WeakPolarHBondContact OD1-CB 3.25Å; N212-I214 PolarHBondContact OD1-N 2.78Å; N212-M215 PolarHBondContact O-N 2.9Å; N212-S216 VanDerWaalsContact O-CB 3.32Å; N212-S216 WeakPolarHBondContact O-CB 3.3Å; N212-S216 PolarHBondContact O-N 3.32Å; N212-S216 PolarHBondContact O-OG 2.79Å | ||
| 213 | P | 85.4 | Confident | 91.8 | Very high | 108 Ų | 108 | 42.8 Ų | 42.8 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -15.7 | -171.6 | 30.3 | -36.4 | 0 | 0 | 0 | 113.8 | Q211 | Q211-P213 VanDerWaalsContact O-CD 3.25Å; Q211-P213 WeakPolarHBondContact O-CD 3.15Å; Q211-P213 VanDerWaalsContact O-N 3.12Å |
| 214 | I | 85.4 | Confident | 91.9 | Very high | 84 Ų | 84 | 41 Ų | 41 | 43% | 0.431 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -37.3 | 176.2 | -56.6 | 173.2 | 0 | 0 | 0 | 110 | Y28 N212 | Y28-I214 WeakPolarHBondContact CD1-O 3.43Å; Y28-I214 HydrophobicContact CG-CG2 4.23Å; N212-I214 PolarHBondContact O-N 2.67Å; N212-I214 WeakPolarHBondContact OD1-CB 3.25Å; N212-I214 PolarHBondContact OD1-N 2.78Å |
| 215 | M | 89.1 | Confident | 92 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -30.2 | -174.9 | -60.5 | -161 | 175.3 | 0 | 0 | 113.8 | Y28 A67 N212 V217 L218 V219 | Y28-M215 HydrophobicContact CD1-CB 4.34Å; Y28-M215 HydrophobicContact CD1-CG 3.99Å; Y28-M215 HydrophobicContact CE1-CB 4Å; Y28-M215 HydrophobicContact CE1-CE 4.38Å; Y28-M215 HydrophobicContact CE1-CG 3.59Å; Y28-M215 HydrophobicContact CE1-SD 4.13Å; Y28-M215 HydrophobicContact CE2-CE 4.24Å; A67-M215 HydrophobicContact CB-CE 4.24Å; N212-M215 PolarHBondContact O-N 2.9Å; M215-V217 VanDerWaalsContact C-N 3.27Å; M215-V217 PolarHBondContact O-N 3.04Å; M215-V217 VanDerWaalsContact O-N 3.11Å; M215-L218 PolarHBondContact O-N 3.02Å; M215-V219 HydrophobicContact CB-CG2 4.3Å; M215-V219 WeakPolarHBondContact O-CG2 3.37Å; M215-V219 PolarHBondContact O-N 2.64Å |
| 216 | S | 88.2 | Confident | 92.2 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.9 | -39 | -168.9 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | L210 N212 V219 F220 | L210-S216 VanDerWaalsContact O-CB 3.31Å; L210-S216 WeakPolarHBondContact O-CB 3.5Å; N212-S216 VanDerWaalsContact O-CB 3.32Å; N212-S216 WeakPolarHBondContact O-CB 3.3Å; N212-S216 PolarHBondContact O-N 3.32Å; N212-S216 PolarHBondContact O-OG 2.79Å; S216-V219 PolarHBondContact O-N 2.67Å; S216-F220 WeakPolarHBondContact O-CD2 3.48Å; S216-F220 PolarHBondContact O-N 3.22Å |
| 217 | V | 90.3 | Very high | 92.3 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178 | -177.7 | 0 | 0 | 0 | 0 | 112 | M215 V219 H221 | M215-V217 VanDerWaalsContact C-N 3.27Å; M215-V217 PolarHBondContact O-N 3.04Å; M215-V217 VanDerWaalsContact O-N 3.11Å; V217-V219 VanDerWaalsContact C-N 3.32Å; V217-H221 WeakPolarHBondContact O-CB 3.39Å; V217-H221 PolarHBondContact O-N 2.9Å; V217-H221 VanDerWaalsContact O-N 3.12Å |
| 218 | L | 93 | Very high | 92.4 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -33.6 | 176 | 178.2 | 59.3 | 0 | 0 | 0 | 111.4 | Y28 V34 F71 L74 M215 S222 | Y28-L218 HydrophobicContact CD1-CB 4.34Å; Y28-L218 HydrophobicContact CD1-CD2 4.05Å; Y28-L218 HydrophobicContact CE1-CB 4.41Å; Y28-L218 HydrophobicContact CE1-CD2 3.69Å; V34-L218 HydrophobicContact CG1-CD1 4.02Å; V34-L218 HydrophobicContact CG2-CD1 3.87Å; F71-L218 HydrophobicContact CD2-CD2 3.55Å; F71-L218 HydrophobicContact CE2-CD2 4.05Å; F71-L218 HydrophobicContact CG-CD2 4.46Å; L74-L218 HydrophobicContact CB-CD2 4.21Å; L74-L218 HydrophobicContact CB-CG 4.09Å; L74-L218 HydrophobicContact CD1-CD2 3.89Å; L74-L218 HydrophobicContact CD1-CG 3.91Å; M215-L218 PolarHBondContact O-N 3.02Å; L218-S222 VanDerWaalsContact O-CB 3.24Å; L218-S222 WeakPolarHBondContact O-CB 3.05Å; L218-S222 PolarHBondContact O-N 3.21Å |
| 219 | V | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -53 | 177 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | L74 L205 I208 L210 M215 S216 V217 H221 S222 L223 | L74-V219 HydrophobicContact CD1-CG2 3.95Å; L74-V219 HydrophobicContact CD2-CG2 4.14Å; L205-V219 HydrophobicContact CD1-CG1 4.32Å; I208-V219 HydrophobicContact CD1-CG2 4.46Å; I208-V219 HydrophobicContact CG2-CG1 4.31Å; I208-V219 HydrophobicContact CG2-CG2 3.66Å; L210-V219 HydrophobicContact CD1-CG1 4.48Å; L210-V219 HydrophobicContact CG-CG1 4.13Å; M215-V219 HydrophobicContact CB-CG2 4.3Å; M215-V219 WeakPolarHBondContact O-CG2 3.37Å; M215-V219 PolarHBondContact O-N 2.64Å; S216-V219 PolarHBondContact O-N 2.67Å; V217-V219 VanDerWaalsContact C-N 3.32Å; V219-H221 VanDerWaalsContact C-N 3.28Å; V219-H221 PolarHBondContact O-N 2.81Å; V219-S222 CarbonylContact O-C 3.59Å; V219-S222 WeakPolarHBondContact O-CA 3.4Å; V219-S222 VanDerWaalsContact O-CB 3.32Å; V219-S222 WeakPolarHBondContact O-CB 3.43Å; V219-S222 PolarHBondContact O-N 3.45Å; V219-S222 VanDerWaalsContact O-N 3.08Å; V219-L223 HydrophobicContact CG1-CD1 4.38Å; V219-L223 HydrophobicContact CG1-CG 4.41Å; V219-L223 WeakPolarHBondContact O-CG 3.42Å; V219-L223 PolarHBondContact O-N 2.85Å |
| 220 | F | 94.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -35.3 | 177.7 | -69.9 | -59.2 | 0 | 0 | 0 | 112.9 | L210 S216 L223 S224 L263 F266 L276 T277 I280 | L210-F220 HydrophobicContact CD2-CE1 3.91Å; L210-F220 HydrophobicContact CD2-CZ 4.18Å; S216-F220 WeakPolarHBondContact O-CD2 3.48Å; S216-F220 PolarHBondContact O-N 3.22Å; F220-L223 HydrophobicContact CD1-CD1 4.21Å; F220-L223 PolarHBondContact O-N 3.09Å; F220-S224 PolarHBondContact O-N 3.26Å; F220-L263 HydrophobicContact CD1-CD2 4.32Å; F220-L263 HydrophobicContact CE1-CD2 3.83Å; F220-F266 HydrophobicContact CE2-CE2 4.28Å; F220-F266 HydrophobicContact CE2-CZ 4.19Å; F220-F266 HydrophobicContact CZ-CD1 4.08Å; F220-F266 HydrophobicContact CZ-CD2 4.08Å; F220-F266 AromaticContact CZ-CE1 3.95Å; F220-F266 HydrophobicContact CZ-CE1 3.95Å; F220-F266 AromaticContact CZ-CE2 3.92Å; F220-F266 HydrophobicContact CZ-CE2 3.92Å; F220-F266 HydrophobicContact CZ-CG 4.14Å; F220-F266 AromaticContact CZ-CZ 3.87Å; F220-F266 HydrophobicContact CZ-CZ 3.87Å; F220-L276 HydrophobicContact CB-CD2 3.77Å; F220-L276 HydrophobicContact CB-CG 4.35Å; F220-L276 HydrophobicContact CD2-CD2 4.1Å; F220-L276 HydrophobicContact CG-CD2 3.9Å; F220-L276 HydrophobicContact CG-CG 4.46Å; F220-T277 HydrophobicContact CE1-CG2 3.7Å; F220-T277 HydrophobicContact CZ-CG2 4.08Å; F220-I280 HydrophobicContact CB-CD1 4.2Å; F220-I280 HydrophobicContact CD1-CD1 3.93Å |
| 221 | H | 94.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 25% | 0.25 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 171.2 | -178.8 | 88.2 | 0 | 0 | 0 | 111.7 | E38 V217 V219 L223 S224 R225 | E38-H221 IonicContact OE1-CD2 3.44Å; E38-H221 IonicContact OE1-CE1 2.77Å; E38-H221 IonicContact OE1-NE2 2.7Å; E38-H221 PolarHBondContact OE1-NE2 3.45Å; E38-H221 IonicContact OE2-CE1 2.76Å; E38-H221 PolarHBondContact OE2-CE1 2.87Å; E38-H221 VanDerWaalsContact OE2-CE1 3.27Å; E38-H221 IonicContact OE2-NE2 3.2Å; E38-H221 PolarHBondContact OE2-NE2 3.41Å; V217-H221 WeakPolarHBondContact O-CB 3.39Å; V217-H221 PolarHBondContact O-N 2.9Å; V217-H221 VanDerWaalsContact O-N 3.12Å; V219-H221 VanDerWaalsContact C-N 3.28Å; V219-H221 PolarHBondContact O-N 2.81Å; H221-L223 VanDerWaalsContact C-N 3.33Å; H221-L223 PolarHBondContact O-N 3.39Å; H221-S224 PolarHBondContact O-N 3.03Å; H221-R225 WeakPolarHBondContact O-CG 3.36Å; H221-R225 PolarHBondContact O-N 3.33Å |
| 222 | S | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58 | -42.6 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | L74 Y201 L218 V219 R225 F226 | L74-S222 VanDerWaalsContact O-CB 3.26Å; L74-S222 WeakPolarHBondContact O-CB 3.41Å; L74-S222 PolarHBondContact O-OG 3.46Å; Y201-S222 VanDerWaalsContact CE2-OG 3.27Å; Y201-S222 WeakPolarHBondContact CE2-OG 3.13Å; Y201-S222 PolarHBondContact OH-O 3.38Å; Y201-S222 PolarHBondContact OH-OG 3.09Å; L218-S222 VanDerWaalsContact O-CB 3.24Å; L218-S222 WeakPolarHBondContact O-CB 3.05Å; L218-S222 PolarHBondContact O-N 3.21Å; V219-S222 CarbonylContact O-C 3.59Å; V219-S222 WeakPolarHBondContact O-CA 3.4Å; V219-S222 VanDerWaalsContact O-CB 3.32Å; V219-S222 WeakPolarHBondContact O-CB 3.43Å; V219-S222 PolarHBondContact O-N 3.45Å; V219-S222 VanDerWaalsContact O-N 3.08Å; S222-R225 CarbonylContact O-C 3.59Å; S222-R225 PolarHBondContact O-N 3.26Å; S222-F226 PolarHBondContact O-N 3.36Å |
| 223 | L | 97.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.6 | -66.8 | -177.6 | 0 | 0 | 0 | 111.9 | L205 L210 V219 F220 H221 R225 F226 S227 I259 L263 I280 | L205-L223 HydrophobicContact CD1-CD2 4.14Å; L205-L223 HydrophobicContact CD2-CD2 3.97Å; L210-L223 HydrophobicContact CD2-CD1 4.49Å; V219-L223 HydrophobicContact CG1-CD1 4.38Å; V219-L223 HydrophobicContact CG1-CG 4.41Å; V219-L223 WeakPolarHBondContact O-CG 3.42Å; V219-L223 PolarHBondContact O-N 2.85Å; F220-L223 HydrophobicContact CD1-CD1 4.21Å; F220-L223 PolarHBondContact O-N 3.09Å; H221-L223 VanDerWaalsContact C-N 3.33Å; H221-L223 PolarHBondContact O-N 3.39Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.97Å; L223-F226 PolarHBondContact O-N 3.33Å; L223-S227 PolarHBondContact O-N 2.89Å; L223-S227 PolarHBondContact O-OG 2.91Å; L223-S227 VanDerWaalsContact O-OG 3.07Å; L223-I259 HydrophobicContact CD1-CG2 4.33Å; L223-I259 HydrophobicContact CD2-CB 4.35Å; L223-I259 HydrophobicContact CD2-CD1 3.81Å; L223-I259 HydrophobicContact CD2-CG1 3.59Å; L223-I259 HydrophobicContact CD2-CG2 3.92Å; L223-L263 HydrophobicContact CD1-CD2 4.11Å; L223-I280 HydrophobicContact CB-CD1 4.2Å; L223-I280 HydrophobicContact CB-CG2 3.99Å |
| 224 | S | 96.2 | Very high | 93.8 | Very high | 46 Ų | 46 | 25.7 Ų | 25.7 | 32% | 0.322 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 174.3 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | F220 H221 S227 K228 | F220-S224 PolarHBondContact O-N 3.26Å; H221-S224 PolarHBondContact O-N 3.03Å; S224-S227 PolarHBondContact O-N 3.4Å; S224-K228 PolarHBondContact O-N 2.86Å |
| 225 | R | 96.1 | Very high | 94.1 | Very high | 46 Ų | 46 | 21.9 Ų | 21.9 | 17% | 0.174 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.8 | -36.4 | 175.6 | -70.1 | -74.4 | -167.1 | -172.2 | 2.6 | 112.2 | E38 P77 S78 H221 S222 L223 S227 K228 F229 | E38-R225 IonicContact OE1-NE 2.73Å; E38-R225 PolarHBondContact OE1-NE 3.07Å; E38-R225 IonicContact OE2-CZ 3.36Å; E38-R225 IonicContact OE2-NE 3.22Å; E38-R225 PolarHBondContact OE2-NE 3.04Å; E38-R225 IonicContact OE2-NH2 2.68Å; E38-R225 PolarHBondContact OE2-NH2 3.46Å; P77-R225 HydrophobicContact CB-CB 4.37Å; S78-R225 VanDerWaalsContact OG-CB 3.25Å; S78-R225 WeakPolarHBondContact OG-CB 3.16Å; S78-R225 VanDerWaalsContact OG-CD 3.28Å; S78-R225 WeakPolarHBondContact OG-CD 3.47Å; S78-R225 WeakPolarHBondContact OG-CG 3.43Å; H221-R225 WeakPolarHBondContact O-CG 3.36Å; H221-R225 PolarHBondContact O-N 3.33Å; S222-R225 CarbonylContact O-C 3.59Å; S222-R225 PolarHBondContact O-N 3.26Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.97Å; R225-S227 VanDerWaalsContact C-N 3.34Å; R225-K228 PolarHBondContact O-N 3.41Å; R225-F229 WeakPolarHBondContact O-CB 3.29Å; R225-F229 PolarHBondContact O-N 3.13Å |
| 226 | F | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 168.6 | 178.6 | -89.9 | 0 | 0 | 0 | 111.6 | P77 V198 Y201 S222 L223 K228 F229 S230 L252 C255 I259 I284 | P77-F226 HydrophobicContact CB-CB 4.04Å; P77-F226 HydrophobicContact CG-CB 4.1Å; V198-F226 HydrophobicContact CG1-CE2 4.22Å; Y201-F226 HydrophobicContact CD1-CD2 4.15Å; Y201-F226 HydrophobicContact CE1-CB 4.2Å; Y201-F226 AromaticContact CE1-CD2 3.84Å; Y201-F226 HydrophobicContact CE1-CD2 3.84Å; Y201-F226 HydrophobicContact CE1-CG 4.13Å; S222-F226 PolarHBondContact O-N 3.36Å; L223-F226 PolarHBondContact O-N 3.33Å; F226-K228 VanDerWaalsContact C-N 3.29Å; F226-K228 PolarHBondContact O-N 3.11Å; F226-F229 AromaticContact CD2-CD1 3.86Å; F226-F229 HydrophobicContact CD2-CD1 3.86Å; F226-F229 HydrophobicContact CD2-CE1 4.34Å; F226-F229 AromaticContact CE2-CD1 3.95Å; F226-F229 HydrophobicContact CE2-CD1 3.95Å; F226-F229 HydrophobicContact CE2-CE1 4.06Å; F226-F229 PolarHBondContact O-N 3.18Å; F226-S230 WeakPolarHBondContact O-CB 3.31Å; F226-S230 PolarHBondContact O-N 3Å; F226-L252 HydrophobicContact CE2-CD2 3.88Å; F226-L252 HydrophobicContact CZ-CD2 3.74Å; F226-C255 HydrophobicContact CE1-CB 4.29Å; F226-C255 HydrophobicContact CE2-CB 3.97Å; F226-C255 VanDerWaalsContact CE2-SG 3.53Å; F226-C255 HydrophobicContact CZ-CB 3.59Å; F226-C255 VanDerWaalsContact CZ-SG 3.56Å; F226-I259 HydrophobicContact CB-CD1 4.45Å; F226-I259 HydrophobicContact CD1-CD1 3.31Å; F226-I259 HydrophobicContact CE1-CD1 3.69Å; F226-I259 HydrophobicContact CG-CD1 3.92Å; F226-I284 HydrophobicContact CD1-CD1 3.88Å; F226-I284 HydrophobicContact CE1-CD1 4.13Å |
| 227 | S | 96.7 | Very high | 94 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | L223 S224 R225 D231 S283 I284 N287 | L223-S227 PolarHBondContact O-N 2.89Å; L223-S227 PolarHBondContact O-OG 2.91Å; L223-S227 VanDerWaalsContact O-OG 3.07Å; S224-S227 PolarHBondContact O-N 3.4Å; R225-S227 VanDerWaalsContact C-N 3.34Å; S227-D231 VanDerWaalsContact O-CB 3.24Å; S227-D231 WeakPolarHBondContact O-CB 3.36Å; S227-D231 PolarHBondContact O-N 3.28Å; S227-D231 VanDerWaalsContact O-N 3.09Å; S227-S283 WeakPolarHBondContact CB-OG 3.42Å; S227-I284 VanDerWaalsContact OG-CD1 3.29Å; S227-I284 WeakPolarHBondContact OG-CD1 3.32Å; S227-N287 WeakPolarHBondContact CA-ND2 3.47Å; S227-N287 PolarHBondContact O-ND2 3.44Å |
| 228 | K | 94.7 | Very high | 93.7 | Very high | 98 Ų | 98 | 25.8 Ų | 25.8 | 43% | 0.426 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -69.9 | -39 | 176.4 | -65.4 | 173.1 | -174.4 | 176.4 | 0 | 113.2 | S224 R225 F226 R232 | S224-K228 PolarHBondContact O-N 2.86Å; R225-K228 PolarHBondContact O-N 3.41Å; F226-K228 VanDerWaalsContact C-N 3.29Å; F226-K228 PolarHBondContact O-N 3.11Å; K228-R232 WeakPolarHBondContact O-CB 3.36Å; K228-R232 PolarHBondContact O-N 3.34Å |
| 229 | F | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -51.3 | 174.7 | 159.4 | -111 | 0 | 0 | 0 | 111.5 | P77 L80 H81 L84 I194 V198 R225 F226 R232 V233 L252 | P77-F229 HydrophobicContact CB-CB 4.37Å; L80-F229 HydrophobicContact CB-CD2 3.74Å; L80-F229 HydrophobicContact CB-CE2 3.6Å; L80-F229 HydrophobicContact CB-CZ 4.29Å; L80-F229 HydrophobicContact CD1-CE1 4.42Å; L80-F229 HydrophobicContact CD1-CE2 4.13Å; L80-F229 HydrophobicContact CD1-CZ 3.96Å; L80-F229 HydrophobicContact CG-CE2 4.4Å; H81-F229 HydrophobicContact CB-CB 4.19Å; L84-F229 HydrophobicContact CD1-CD2 4.25Å; L84-F229 HydrophobicContact CD1-CE2 3.72Å; I194-F229 HydrophobicContact CG2-CZ 4.1Å; V198-F229 HydrophobicContact CG2-CE1 3.67Å; V198-F229 HydrophobicContact CG2-CZ 3.81Å; R225-F229 WeakPolarHBondContact O-CB 3.29Å; R225-F229 PolarHBondContact O-N 3.13Å; F226-F229 AromaticContact CD2-CD1 3.86Å; F226-F229 HydrophobicContact CD2-CD1 3.86Å; F226-F229 HydrophobicContact CD2-CE1 4.34Å; F226-F229 AromaticContact CE2-CD1 3.95Å; F226-F229 HydrophobicContact CE2-CD1 3.95Å; F226-F229 HydrophobicContact CE2-CE1 4.06Å; F226-F229 PolarHBondContact O-N 3.18Å; F229-R232 PolarHBondContact O-N 3.1Å; F229-V233 HydrophobicContact CD2-CG2 4.24Å; F229-V233 HydrophobicContact CE2-CG2 3.87Å; F229-V233 HydrophobicContact CZ-CG2 4.4Å; F229-V233 WeakPolarHBondContact O-CG2 3.28Å; F229-V233 PolarHBondContact O-N 3.45Å; F229-L252 HydrophobicContact CD1-CD2 4.32Å; F229-L252 HydrophobicContact CE1-CD2 3.66Å; F229-L252 HydrophobicContact CZ-CD2 4.34Å |
| 230 | S | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -55.1 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | F226 R232 V233 V234 | F226-S230 WeakPolarHBondContact O-CB 3.31Å; F226-S230 PolarHBondContact O-N 3Å; S230-R232 VanDerWaalsContact C-N 3.31Å; S230-R232 PolarHBondContact O-N 2.99Å; S230-V233 PolarHBondContact O-N 2.93Å; S230-V234 WeakPolarHBondContact O-CG1 3.34Å; S230-V234 WeakPolarHBondContact O-CG2 3.44Å; S230-V234 PolarHBondContact O-N 3.36Å |
| 231 | D | 94.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -44.2 | -51.8 | 173.1 | 173.3 | 9.9 | 0 | 0 | 0 | 112.2 | S227 V233 V234 S235 K238 N287 | S227-D231 VanDerWaalsContact O-CB 3.24Å; S227-D231 WeakPolarHBondContact O-CB 3.36Å; S227-D231 PolarHBondContact O-N 3.28Å; S227-D231 VanDerWaalsContact O-N 3.09Å; D231-V233 VanDerWaalsContact C-N 3.31Å; D231-V233 PolarHBondContact O-N 3.35Å; D231-V234 PolarHBondContact O-N 3.16Å; D231-S235 WeakPolarHBondContact O-CB 3.32Å; D231-S235 PolarHBondContact O-N 3.32Å; D231-K238 IonicContact OD1-NZ 3.77Å; D231-K238 PolarHBondContact OD1-NZ 2.75Å; D231-K238 IonicContact OD2-NZ 3.05Å; D231-K238 PolarHBondContact OD2-NZ 3.35Å; D231-N287 WeakPolarHBondContact CA-OD1 3.24Å; D231-N287 VanDerWaalsContact CB-OD1 3.31Å; D231-N287 WeakPolarHBondContact CB-OD1 3.41Å; D231-N287 PolarHBondContact N-OD1 3.24Å |
| 232 | R | 93.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -33.8 | -179 | -178.8 | 58.7 | -176.4 | 105.4 | -13.3 | 113.9 | E89 K228 F229 S230 P240 I242 | E89-R232 IonicContact OE1-CZ 3.94Å; E89-R232 IonicContact OE1-NE 3.52Å; E89-R232 IonicContact OE1-NH2 2.83Å; E89-R232 PolarHBondContact OE1-NH2 3.08Å; K228-R232 WeakPolarHBondContact O-CB 3.36Å; K228-R232 PolarHBondContact O-N 3.34Å; F229-R232 PolarHBondContact O-N 3.1Å; S230-R232 VanDerWaalsContact C-N 3.31Å; S230-R232 PolarHBondContact O-N 2.99Å; R232-P240 PolarHBondContact NH1-O 2.62Å; R232-P240 PolarHBondContact NH2-O 2.82Å; R232-I242 HydrophobicContact CG-CD1 3.9Å |
| 233 | V | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -77.9 | -48 | 178.7 | 171 | 0 | 0 | 0 | 0 | 111.5 | L84 F229 S230 D231 I242 T244 L248 L252 R294 | L84-V233 HydrophobicContact CD1-CG2 3.79Å; F229-V233 HydrophobicContact CD2-CG2 4.24Å; F229-V233 HydrophobicContact CE2-CG2 3.87Å; F229-V233 HydrophobicContact CZ-CG2 4.4Å; F229-V233 WeakPolarHBondContact O-CG2 3.28Å; F229-V233 PolarHBondContact O-N 3.45Å; S230-V233 PolarHBondContact O-N 2.93Å; D231-V233 VanDerWaalsContact C-N 3.31Å; D231-V233 PolarHBondContact O-N 3.35Å; V233-I242 HydrophobicContact CG2-CD1 4.15Å; V233-T244 HydrophobicContact CG1-CG2 3.84Å; V233-L248 HydrophobicContact CG1-CD2 3.94Å; V233-L248 HydrophobicContact CG1-CG 4.49Å; V233-L252 HydrophobicContact CB-CD1 4.37Å; V233-L252 HydrophobicContact CG1-CD1 3.95Å; V233-R294 PolarHBondContact O-NH1 2.92Å; V233-R294 VanDerWaalsContact O-NH1 3.09Å |
| 234 | V | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.7 | -32.8 | -168.8 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | S230 D231 I236 L249 L252 E290 I291 R294 | S230-V234 WeakPolarHBondContact O-CG1 3.34Å; S230-V234 WeakPolarHBondContact O-CG2 3.44Å; S230-V234 PolarHBondContact O-N 3.36Å; D231-V234 PolarHBondContact O-N 3.16Å; V234-I236 PolarHBondContact O-N 2.88Å; V234-L249 HydrophobicContact CG1-CD2 4.03Å; V234-L252 HydrophobicContact CG1-CD1 3.72Å; V234-E290 HydrophobicContact CG2-CB 3.89Å; V234-E290 HydrophobicContact CG2-CG 3.75Å; V234-I291 HydrophobicContact CB-CG1 3.93Å; V234-I291 HydrophobicContact CG1-CD1 4.21Å; V234-I291 HydrophobicContact CG1-CG1 3.41Å; V234-I291 VanDerWaalsContact CG1-CG1 3.41Å; V234-I291 HydrophobicContact CG2-CG1 4.28Å; V234-R294 WeakPolarHBondContact O-CB 3.29Å; V234-R294 VanDerWaalsContact O-CD 3.32Å; V234-R294 WeakPolarHBondContact O-CD 3.29Å; V234-R294 VanDerWaalsContact O-CG 3.28Å; V234-R294 WeakPolarHBondContact O-CG 3.5Å; V234-R294 PolarHBondContact O-NH1 3.45Å |
| 235 | S | 92 | Very high | 90 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -51 | 128.1 | -173 | 179.9 | 0 | 0 | 0 | 0 | 115 | D231 S237 K238 E290 R294 | D231-S235 WeakPolarHBondContact O-CB 3.32Å; D231-S235 PolarHBondContact O-N 3.32Å; S235-S237 PolarHBondContact OG-N 2.77Å; S235-S237 PolarHBondContact OG-OG 2.9Å; S235-K238 WeakPolarHBondContact OG-CG 3.28Å; S235-K238 PolarHBondContact OG-N 3.26Å; S235-E290 VanDerWaalsContact CA-OE1 3.29Å; S235-E290 WeakPolarHBondContact CA-OE1 3.31Å; S235-R294 PolarHBondContact O-NH1 3.28Å | ||
| 236 | I | 87.8 | Confident | 89.8 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 18% | 0.179 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -81.7 | -30.9 | 172.6 | -63.1 | 171 | 0 | 0 | 0 | 110.7 | V234 R241 E290 N293 R294 H297 | V234-I236 PolarHBondContact O-N 2.88Å; I236-R241 VanDerWaalsContact O-CZ 3.25Å; I236-R241 PolarHBondContact O-NE 3.15Å; I236-R241 PolarHBondContact O-NH2 3.06Å; I236-E290 PolarHBondContact N-OE1 3.34Å; I236-N293 HydrophobicContact CD1-CB 3.75Å; I236-R294 HydrophobicContact CG1-CB 4.38Å; I236-H297 HydrophobicContact CD1-CB 4.08Å |
| 237 | S | 86.1 | Confident | 89.5 | Confident | 95 Ų | 95 | 38.2 Ų | 38.2 | 66% | 0.664 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -79.1 | -37.9 | -176.3 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | S235 R239 | S235-S237 PolarHBondContact OG-N 2.77Å; S235-S237 PolarHBondContact OG-OG 2.9Å; S237-R239 PolarHBondContact O-N 3.32Å |
| 238 | K | 85.2 | Confident | 89.2 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -66.3 | 124.8 | 178.8 | -71.8 | 173.5 | -178.7 | 167.8 | 0 | 111.4 | D231 S235 P240 R241 | D231-K238 IonicContact OD1-NZ 3.77Å; D231-K238 PolarHBondContact OD1-NZ 2.75Å; D231-K238 IonicContact OD2-NZ 3.05Å; D231-K238 PolarHBondContact OD2-NZ 3.35Å; S235-K238 WeakPolarHBondContact OG-CG 3.28Å; S235-K238 PolarHBondContact OG-N 3.26Å; K238-P240 CarbonylContact O-C 3.55Å; K238-R241 WeakPolarHBondContact O-CG 3.31Å |
| 239 | R | 81.4 | Confident | 89.3 | Confident | 177 Ų | 177 | 33.7 Ų | 33.7 | 67% | 0.668 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -111.8 | 140.5 | 174.3 | -60.4 | -56.8 | -167.8 | 139.4 | 6.3 | 109.3 | S237 | S237-R239 PolarHBondContact O-N 3.32Š|
| 240 | P | 82.4 | Confident | 89.3 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 14% | 0.143 | 19% | 0.192 | C | C | . | . | S | Bend | cis | -62.4 | 144.7 | -11.8 | 18.3 | -24.7 | 0 | 0 | 0 | 112.5 | Y88 E89 S92 R232 K238 | Y88-P240 VanDerWaalsContact C-CG 3.47Å; Y88-P240 WeakPolarHBondContact O-CG 3.39Å; E89-P240 HydrophobicContact CG-CG 4.12Å; S92-P240 WeakPolarHBondContact OG-CB 3.41Å; S92-P240 WeakPolarHBondContact OG-CG 3.3Å; R232-P240 PolarHBondContact NH1-O 2.62Å; R232-P240 PolarHBondContact NH2-O 2.82Å; K238-P240 CarbonylContact O-C 3.55Å |
| 241 | R | 84 | Confident | 89.2 | Confident | 65 Ų | 65 | 36.2 Ų | 36.2 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 126.6 | 173 | -70 | 179.9 | -177.7 | 166.3 | -0.9 | 108.2 | I236 K238 P243 | I236-R241 VanDerWaalsContact O-CZ 3.25Å; I236-R241 PolarHBondContact O-NE 3.15Å; I236-R241 PolarHBondContact O-NH2 3.06Å; K238-R241 WeakPolarHBondContact O-CG 3.31Å; R241-P243 WeakPolarHBondContact O-CD 3.39Å |
| 242 | I | 84.3 | Confident | 89.3 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 127.3 | 167.3 | -65.3 | 164.2 | 0 | 0 | 0 | 106.7 | L84 Y88 R232 V233 R294 | L84-I242 HydrophobicContact CB-CD1 3.75Å; L84-I242 HydrophobicContact CD1-CD1 4.25Å; L84-I242 HydrophobicContact CD2-CD1 4.42Å; L84-I242 HydrophobicContact CD2-CG2 4.3Å; L84-I242 HydrophobicContact CG-CD1 4.37Å; Y88-I242 HydrophobicContact CD2-CG1 3.89Å; Y88-I242 HydrophobicContact CE2-CG1 4.23Å; Y88-I242 HydrophobicContact CE2-CG2 4.17Å; Y88-I242 HydrophobicContact CG-CG1 4.25Å; R232-I242 HydrophobicContact CG-CD1 3.9Å; V233-I242 HydrophobicContact CG2-CD1 4.15Å; I242-R294 PolarHBondContact O-NH2 3.45Å |
| 243 | P | 82 | Confident | 89.5 | Confident | 41 Ų | 41 | 33.1 Ų | 33.1 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 146.9 | 175.7 | -20.5 | 33.7 | 0 | 0 | 0 | 111.9 | Y88 L186 R241 | Y88-P243 HydrophobicContact CE1-CG 4.13Å; L186-P243 HydrophobicContact CD1-CB 3.31Å; L186-P243 HydrophobicContact CD1-CG 3.78Å; L186-P243 HydrophobicContact CD2-CB 3.74Å; L186-P243 HydrophobicContact CD2-CG 4.14Å; L186-P243 HydrophobicContact CG-CB 4.17Å; R241-P243 WeakPolarHBondContact O-CD 3.39Å |
| 244 | T | 83.8 | Confident | 89.6 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | trans | -138 | 132 | -166.6 | 46.3 | 0 | 0 | 0 | 0 | 111 | V233 L249 R294 | V233-T244 HydrophobicContact CG1-CG2 3.84Å; T244-L249 HydrophobicContact CG2-CD2 4.12Å; T244-R294 PolarHBondContact OG1-NE 2.82Å; T244-R294 PolarHBondContact OG1-NH2 3.3Å | ||
| 245 | S | 89.2 | Confident | 89.8 | Confident | 42 Ų | 42 | 36.9 Ų | 36.9 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -95.8 | 159.2 | 167.6 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | G247 L248 L249 | S245-G247 VanDerWaalsContact C-N 3.26Å; S245-G247 PolarHBondContact O-N 3.4Å; S245-L248 PolarHBondContact O-N 3.08Å; S245-L248 VanDerWaalsContact O-N 3.11Å; S245-L248 PolarHBondContact OG-N 2.99Å; S245-L249 PolarHBondContact O-N 2.99Å; S245-L249 VanDerWaalsContact O-N 3.13Å | ||
| 246 | S | 92.2 | Very high | 90.1 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.9 | -44.8 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L248 L249 M250 C303 | S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 2.98Å; S246-L249 PolarHBondContact O-N 3.37Å; S246-M250 WeakPolarHBondContact O-CG 3.17Å; S246-M250 PolarHBondContact O-N 3.17Å; S246-C303 PolarHBondContact O-SG 3.28Å; S246-C303 VanDerWaalsContact O-SG 3.39Å; S246-C303 PolarHBondContact OG-SG 3.08Å; S246-C303 VanDerWaalsContact OG-SG 3.37Å |
| 247 | G | 91.2 | Very high | 90.4 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 37% | 0.371 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.8 | -33.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S245 V251 | S245-G247 VanDerWaalsContact C-N 3.26Å; S245-G247 PolarHBondContact O-N 3.4Å; G247-V251 WeakPolarHBondContact O-CG2 3.49Å; G247-V251 PolarHBondContact O-N 2.77Å; G247-V251 VanDerWaalsContact O-N 3.15Å |
| 248 | L | 92.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.3 | -40.6 | 174.4 | 178.9 | 60 | 0 | 0 | 0 | 111.6 | V191 I194 I195 V233 S245 S246 L252 | V191-L248 HydrophobicContact CG1-CB 4.37Å; V191-L248 HydrophobicContact CG1-CD2 4.48Å; I194-L248 HydrophobicContact CG2-CD1 3.8Å; I195-L248 HydrophobicContact CD1-CB 4.15Å; I195-L248 HydrophobicContact CG1-CB 4.02Å; I195-L248 HydrophobicContact CG1-CD1 3.96Å; V233-L248 HydrophobicContact CG1-CD2 3.94Å; V233-L248 HydrophobicContact CG1-CG 4.49Å; S245-L248 PolarHBondContact O-N 3.08Å; S245-L248 VanDerWaalsContact O-N 3.11Å; S245-L248 PolarHBondContact OG-N 2.99Å; S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 2.98Å; L248-L252 HydrophobicContact CG-CD1 4.41Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 3.23Å; L248-L252 VanDerWaalsContact O-N 3.1Å |
| 249 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 175.8 | -63.2 | -170.1 | 0 | 0 | 0 | 111.8 | V234 T244 S245 S246 L252 L253 I291 R294 A295 F300 | V234-L249 HydrophobicContact CG1-CD2 4.03Å; T244-L249 HydrophobicContact CG2-CD2 4.12Å; S245-L249 PolarHBondContact O-N 2.99Å; S245-L249 VanDerWaalsContact O-N 3.13Å; S246-L249 PolarHBondContact O-N 3.37Å; L249-L252 PolarHBondContact O-N 3.39Å; L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.27Å; L249-I291 HydrophobicContact CB-CG2 4.04Å; L249-I291 HydrophobicContact CD1-CG2 4.35Å; L249-I291 HydrophobicContact CD2-CG2 4.41Å; L249-I291 HydrophobicContact CG-CG2 4.5Å; L249-R294 HydrophobicContact CD1-CB 4.37Å; L249-R294 HydrophobicContact CD1-CG 4.15Å; L249-R294 HydrophobicContact CD2-CG 4.47Å; L249-A295 HydrophobicContact CD1-CB 4.22Å; L249-F300 HydrophobicContact CD1-CD2 3.88Å; L249-F300 HydrophobicContact CD1-CE2 4.29Å |
| 250 | M | 95.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 23 Ų | 23 | 21% | 0.207 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56 | -53.5 | 173.4 | -77.9 | -56.3 | -50 | 0 | 0 | 112 | S246 L252 L253 D254 V306 | S246-M250 WeakPolarHBondContact O-CG 3.17Å; S246-M250 PolarHBondContact O-N 3.17Å; M250-L252 PolarHBondContact O-N 3.29Å; M250-L253 WeakPolarHBondContact O-CA 3.33Å; M250-L253 WeakPolarHBondContact O-CB 3.24Å; M250-L253 PolarHBondContact O-N 3.1Å; M250-L253 HydrophobicContact SD-CD1 4.38Å; M250-D254 VanDerWaalsContact O-CG 3.23Å; M250-D254 PolarHBondContact O-N 3.37Å; M250-V306 HydrophobicContact CE-CB 4.35Å; M250-V306 HydrophobicContact CE-CG1 4.21Å; M250-V306 HydrophobicContact CE-CG2 4.05Å; M250-V306 HydrophobicContact SD-CB 4.37Å; M250-V306 HydrophobicContact SD-CG2 4.29Å |
| 251 | V | 95 | Very high | 92.7 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 7% | 0.073 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.6 | -26.4 | -179.1 | 168.8 | 0 | 0 | 0 | 0 | 112.6 | I195 V198 Q199 I202 G247 C255 | I195-V251 HydrophobicContact CG2-CG2 4.21Å; V198-V251 HydrophobicContact CB-CG1 3.82Å; V198-V251 HydrophobicContact CG1-CG1 3.61Å; Q199-V251 HydrophobicContact CG-CG1 4.1Å; Q199-V251 HydrophobicContact CG-CG2 4.34Å; I202-V251 HydrophobicContact CD1-CG1 3.88Å; G247-V251 WeakPolarHBondContact O-CG2 3.49Å; G247-V251 PolarHBondContact O-N 2.77Å; G247-V251 VanDerWaalsContact O-N 3.15Å; V251-C255 WeakPolarHBondContact O-CB 3.45Å; V251-C255 PolarHBondContact O-N 3.35Å; V251-C255 VanDerWaalsContact O-N 3.16Å |
| 252 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72 | -33 | 169.1 | -70.7 | 173.8 | 0 | 0 | 0 | 113 | F226 F229 V233 V234 L248 L249 M250 S256 I291 | F226-L252 HydrophobicContact CE2-CD2 3.88Å; F226-L252 HydrophobicContact CZ-CD2 3.74Å; F229-L252 HydrophobicContact CD1-CD2 4.32Å; F229-L252 HydrophobicContact CE1-CD2 3.66Å; F229-L252 HydrophobicContact CZ-CD2 4.34Å; V233-L252 HydrophobicContact CB-CD1 4.37Å; V233-L252 HydrophobicContact CG1-CD1 3.95Å; V234-L252 HydrophobicContact CG1-CD1 3.72Å; L248-L252 HydrophobicContact CG-CD1 4.41Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 3.23Å; L248-L252 VanDerWaalsContact O-N 3.1Å; L249-L252 PolarHBondContact O-N 3.39Å; M250-L252 PolarHBondContact O-N 3.29Å; L252-S256 VanDerWaalsContact O-CB 3.28Å; L252-S256 WeakPolarHBondContact O-CB 3.21Å; L252-S256 PolarHBondContact O-N 2.9Å; L252-S256 PolarHBondContact O-OG 2.91Å; L252-I291 HydrophobicContact CB-CD1 4.05Å |
| 253 | L | 96.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.7 | -46.6 | 172.6 | -68.1 | 166 | 0 | 0 | 0 | 111.5 | L249 M250 C255 S256 D257 I288 I291 V306 C307 L310 | L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.27Å; M250-L253 WeakPolarHBondContact O-CA 3.33Å; M250-L253 WeakPolarHBondContact O-CB 3.24Å; M250-L253 PolarHBondContact O-N 3.1Å; M250-L253 HydrophobicContact SD-CD1 4.38Å; L253-C255 VanDerWaalsContact C-N 3.29Å; L253-C255 PolarHBondContact O-N 3.47Å; L253-S256 WeakPolarHBondContact O-CA 3.37Å; L253-S256 WeakPolarHBondContact O-CB 3.17Å; L253-S256 PolarHBondContact O-N 3.08Å; L253-D257 PolarHBondContact O-N 2.91Å; L253-I288 HydrophobicContact CD2-CG1 4.31Å; L253-I288 HydrophobicContact CD2-CG2 4.07Å; L253-I291 HydrophobicContact CD1-CG2 4Å; L253-I291 HydrophobicContact CD2-CB 4.12Å; L253-I291 HydrophobicContact CD2-CD1 3.72Å; L253-I291 HydrophobicContact CD2-CG2 3.84Å; L253-I291 HydrophobicContact CG-CD1 4.08Å; L253-I291 HydrophobicContact CG-CG2 3.88Å; L253-V306 HydrophobicContact CD1-CB 4.44Å; L253-V306 HydrophobicContact CD1-CG1 4.21Å; L253-C307 VanDerWaalsContact CD1-SG 3.6Å; L253-C307 VanDerWaalsContact CD2-SG 3.59Å; L253-L310 HydrophobicContact CD2-CD2 4.35Å |
| 254 | D | 95.7 | Very high | 94 | Very high | 79 Ų | 79 | 24.4 Ų | 24.4 | 42% | 0.422 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -57.3 | -44.3 | 178.4 | -58.3 | -29.9 | 0 | 0 | 0 | 110.8 | I202 M250 L258 | I202-D254 HydrophobicContact CD1-CB 4.32Å; M250-D254 VanDerWaalsContact O-CG 3.23Å; M250-D254 PolarHBondContact O-N 3.37Å; D254-L258 WeakPolarHBondContact O-CB 3.48Å; D254-L258 PolarHBondContact O-N 3.36Å; D254-L258 VanDerWaalsContact O-N 3.1Å |
| 255 | C | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 173.5 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | V198 I202 F226 V251 L253 D257 L258 I259 | V198-C255 HydrophobicContact CG1-CB 4.33Å; I202-C255 HydrophobicContact CD1-CB 3.84Å; I202-C255 HydrophobicContact CG1-CB 3.64Å; F226-C255 HydrophobicContact CE1-CB 4.29Å; F226-C255 HydrophobicContact CE2-CB 3.97Å; F226-C255 VanDerWaalsContact CE2-SG 3.53Å; F226-C255 HydrophobicContact CZ-CB 3.59Å; F226-C255 VanDerWaalsContact CZ-SG 3.56Å; V251-C255 WeakPolarHBondContact O-CB 3.45Å; V251-C255 PolarHBondContact O-N 3.35Å; V251-C255 VanDerWaalsContact O-N 3.16Å; L253-C255 VanDerWaalsContact C-N 3.29Å; L253-C255 PolarHBondContact O-N 3.47Å; C255-D257 PolarHBondContact O-N 2.83Å; C255-L258 PolarHBondContact O-N 3.39Å; C255-I259 WeakPolarHBondContact O-CG1 3.26Å; C255-I259 PolarHBondContact O-N 3.3Å |
| 256 | S | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 179.4 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | L252 L253 I259 L260 | L252-S256 VanDerWaalsContact O-CB 3.28Å; L252-S256 WeakPolarHBondContact O-CB 3.21Å; L252-S256 PolarHBondContact O-N 2.9Å; L252-S256 PolarHBondContact O-OG 2.91Å; L253-S256 WeakPolarHBondContact O-CA 3.37Å; L253-S256 WeakPolarHBondContact O-CB 3.17Å; L253-S256 PolarHBondContact O-N 3.08Å; S256-I259 PolarHBondContact O-N 3.48Å; S256-L260 WeakPolarHBondContact O-CG 3.33Å; S256-L260 PolarHBondContact O-N 3.43Å |
| 257 | D | 95.8 | Very high | 94.3 | Very high | 57 Ų | 57 | 24.4 Ų | 24.4 | 31% | 0.305 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -70.9 | -39.5 | 177 | -169.9 | 48.7 | 0 | 0 | 0 | 112.5 | L253 C255 I259 L260 F261 L310 R314 | L253-D257 PolarHBondContact O-N 2.91Å; C255-D257 PolarHBondContact O-N 2.83Å; D257-I259 VanDerWaalsContact C-N 3.27Å; D257-I259 PolarHBondContact O-N 2.78Å; D257-L260 PolarHBondContact O-N 3.2Å; D257-F261 WeakPolarHBondContact O-CB 3.4Å; D257-F261 PolarHBondContact O-N 3.18Å; D257-L310 HydrophobicContact CB-CD1 3.84Å; D257-L310 HydrophobicContact CB-CD2 4.19Å; D257-L310 WeakPolarHBondContact OD1-CD1 3.27Å; D257-R314 PolarHBondContact O-NH2 2.69Å; D257-R314 IonicContact OD1-CZ 3.01Å; D257-R314 VanDerWaalsContact OD1-CZ 3.25Å; D257-R314 IonicContact OD1-NE 2.64Å; D257-R314 PolarHBondContact OD1-NE 3.21Å; D257-R314 IonicContact OD1-NH2 3.86Å; D257-R314 PolarHBondContact OD1-NH2 3.18Å |
| 258 | L | 96.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 171.3 | 174.9 | 61.7 | 0 | 0 | 0 | 111.5 | I202 L205 D254 C255 F261 K262 | I202-L258 HydrophobicContact CB-CD2 4.46Å; I202-L258 HydrophobicContact CG2-CD2 3.82Å; L205-L258 HydrophobicContact CB-CD2 4.35Å; L205-L258 HydrophobicContact CD2-CD2 4.22Å; L205-L258 HydrophobicContact CD2-CG 4.41Å; L205-L258 HydrophobicContact CG-CD2 4.28Å; D254-L258 WeakPolarHBondContact O-CB 3.48Å; D254-L258 PolarHBondContact O-N 3.36Å; D254-L258 VanDerWaalsContact O-N 3.1Å; C255-L258 PolarHBondContact O-N 3.39Å; L258-F261 PolarHBondContact O-N 2.95Å; L258-K262 HydrophobicContact CD1-CG 4Å; L258-K262 HydrophobicContact CG-CG 4.41Å; L258-K262 WeakPolarHBondContact O-CB 3.4Å; L258-K262 WeakPolarHBondContact O-CG 3.24Å; L258-K262 PolarHBondContact O-N 3.47Å |
| 259 | I | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -49.4 | 176.9 | -67.9 | 168.5 | 0 | 0 | 0 | 110.5 | L205 L223 F226 C255 S256 D257 F261 K262 L263 I280 I284 | L205-I259 HydrophobicContact CD2-CD1 4.41Å; L205-I259 HydrophobicContact CD2-CG1 3.68Å; L223-I259 HydrophobicContact CD1-CG2 4.33Å; L223-I259 HydrophobicContact CD2-CB 4.35Å; L223-I259 HydrophobicContact CD2-CD1 3.81Å; L223-I259 HydrophobicContact CD2-CG1 3.59Å; L223-I259 HydrophobicContact CD2-CG2 3.92Å; F226-I259 HydrophobicContact CB-CD1 4.45Å; F226-I259 HydrophobicContact CD1-CD1 3.31Å; F226-I259 HydrophobicContact CE1-CD1 3.69Å; F226-I259 HydrophobicContact CG-CD1 3.92Å; C255-I259 WeakPolarHBondContact O-CG1 3.26Å; C255-I259 PolarHBondContact O-N 3.3Å; S256-I259 PolarHBondContact O-N 3.48Å; D257-I259 VanDerWaalsContact C-N 3.27Å; D257-I259 PolarHBondContact O-N 2.78Å; I259-F261 VanDerWaalsContact C-N 3.33Å; I259-F261 PolarHBondContact O-N 3.43Å; I259-K262 PolarHBondContact O-N 3.2Å; I259-L263 HydrophobicContact CG2-CD1 3.95Å; I259-L263 HydrophobicContact CG2-CG 4.35Å; I259-L263 VanDerWaalsContact O-CG 3.27Å; I259-L263 WeakPolarHBondContact O-CG 3.42Å; I259-L263 PolarHBondContact O-N 2.86Å; I259-I280 HydrophobicContact CG2-CG2 4.36Å; I259-I284 HydrophobicContact CD1-CD1 3.98Å; I259-I284 HydrophobicContact CG2-CD1 4.18Å; I259-I284 HydrophobicContact CG2-CG1 3.94Å |
| 260 | L | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 177.1 | -68.8 | 174 | 0 | 0 | 0 | 111.5 | S256 D257 L263 D264 R281 I284 L285 I288 R314 Y318 | S256-L260 WeakPolarHBondContact O-CG 3.33Å; S256-L260 PolarHBondContact O-N 3.43Å; D257-L260 PolarHBondContact O-N 3.2Å; L260-L263 PolarHBondContact O-N 3.42Å; L260-D264 WeakPolarHBondContact O-CB 3.35Å; L260-D264 PolarHBondContact O-N 2.97Å; L260-R281 HydrophobicContact CD2-CB 4.36Å; L260-R281 HydrophobicContact CD2-CG 3.96Å; L260-I284 HydrophobicContact CD1-CG2 4.12Å; L260-I284 HydrophobicContact CD2-CB 4.2Å; L260-I284 HydrophobicContact CD2-CG2 3.99Å; L260-I284 HydrophobicContact CG-CG2 3.77Å; L260-L285 HydrophobicContact CD1-CD2 4Å; L260-L285 HydrophobicContact CD2-CG 4.42Å; L260-I288 HydrophobicContact CD1-CD1 3.75Å; L260-R314 HydrophobicContact CD1-CG 4.1Å; L260-Y318 HydrophobicContact CD2-CE2 4.38Å |
| 261 | F | 94.2 | Very high | 92.3 | Very high | 116 Ų | 116 | 41.4 Ų | 41.4 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 174.8 | 175.7 | -97 | 0 | 0 | 0 | 112.4 | D257 L258 I259 L263 D264 C265 | D257-F261 WeakPolarHBondContact O-CB 3.4Å; D257-F261 PolarHBondContact O-N 3.18Å; L258-F261 PolarHBondContact O-N 2.95Å; I259-F261 VanDerWaalsContact C-N 3.33Å; I259-F261 PolarHBondContact O-N 3.43Å; F261-L263 VanDerWaalsContact C-N 3.35Å; F261-L263 PolarHBondContact O-N 2.66Å; F261-D264 PolarHBondContact O-N 3.39Å; F261-C265 PolarHBondContact O-N 3.5Å |
| 262 | K | 93.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 178 | -74.8 | -80.1 | -173.3 | 167.1 | 0 | 112.3 | L205 S206 I208 L210 L258 I259 F266 | L205-K262 WeakPolarHBondContact O-CE 3.25Å; L205-K262 PolarHBondContact O-NZ 2.82Å; S206-K262 PolarHBondContact O-NZ 3.45Å; I208-K262 PolarHBondContact O-NZ 2.99Å; L210-K262 HydrophobicContact CD1-CB 4.01Å; L210-K262 HydrophobicContact CD1-CD 3.79Å; L210-K262 HydrophobicContact CD1-CG 4.33Å; L210-K262 HydrophobicContact CD2-CB 4.33Å; L258-K262 HydrophobicContact CD1-CG 4Å; L258-K262 HydrophobicContact CG-CG 4.41Å; L258-K262 WeakPolarHBondContact O-CB 3.4Å; L258-K262 WeakPolarHBondContact O-CG 3.24Å; L258-K262 PolarHBondContact O-N 3.47Å; I259-K262 PolarHBondContact O-N 3.2Å; K262-F266 WeakPolarHBondContact O-CB 3.28Å; K262-F266 PolarHBondContact O-N 3.5Å |
| 263 | L | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 175.1 | -68.1 | 174.4 | 0 | 0 | 0 | 112 | L210 F220 L223 I259 L260 F261 C265 F266 D267 T277 I280 R281 | L210-L263 HydrophobicContact CD2-CD2 4.42Å; F220-L263 HydrophobicContact CD1-CD2 4.32Å; F220-L263 HydrophobicContact CE1-CD2 3.83Å; L223-L263 HydrophobicContact CD1-CD2 4.11Å; I259-L263 HydrophobicContact CG2-CD1 3.95Å; I259-L263 HydrophobicContact CG2-CG 4.35Å; I259-L263 VanDerWaalsContact O-CG 3.27Å; I259-L263 WeakPolarHBondContact O-CG 3.42Å; I259-L263 PolarHBondContact O-N 2.86Å; L260-L263 PolarHBondContact O-N 3.42Å; F261-L263 VanDerWaalsContact C-N 3.35Å; F261-L263 PolarHBondContact O-N 2.66Å; L263-C265 VanDerWaalsContact C-N 3.34Å; L263-C265 PolarHBondContact O-N 3.12Å; L263-F266 PolarHBondContact O-N 2.88Å; L263-D267 PolarHBondContact O-N 2.87Å; L263-T277 HydrophobicContact CD2-CG2 3.85Å; L263-I280 HydrophobicContact CD1-CB 4.17Å; L263-I280 HydrophobicContact CD1-CG2 3.83Å; L263-R281 HydrophobicContact CD1-CB 4.31Å |
| 264 | D | 91 | Very high | 89.1 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 178.3 | -62.3 | -20.5 | 0 | 0 | 0 | 112.6 | L260 F261 K268 R281 R314 Y317 Y318 | L260-D264 WeakPolarHBondContact O-CB 3.35Å; L260-D264 PolarHBondContact O-N 2.97Å; F261-D264 PolarHBondContact O-N 3.39Å; D264-K268 WeakPolarHBondContact O-CB 3.35Å; D264-K268 VanDerWaalsContact O-CD 3.32Å; D264-K268 WeakPolarHBondContact O-CD 3.48Å; D264-K268 WeakPolarHBondContact O-CG 3.27Å; D264-K268 PolarHBondContact O-N 3.03Å; D264-R281 IonicContact OD1-CZ 2.66Å; D264-R281 IonicContact OD1-NE 2.87Å; D264-R281 PolarHBondContact OD1-NE 3.21Å; D264-R281 IonicContact OD1-NH2 3.31Å; D264-R281 PolarHBondContact OD1-NH2 2.96Å; D264-R314 IonicContact OD2-CZ 3.98Å; D264-R314 IonicContact OD2-NH1 3.6Å; D264-R314 PolarHBondContact OD2-NH1 2.8Å; D264-Y317 HydrophobicContact CB-CE1 4.26Å; D264-Y317 WeakPolarHBondContact OD2-CE1 3.34Å; D264-Y318 VanDerWaalsContact OD1-CE1 3.28Å; D264-Y318 WeakPolarHBondContact OD1-CE1 3.49Å; D264-Y318 PolarHBondContact OD1-OH 3.49Å; D264-Y318 PolarHBondContact OD2-OH 3.05Å |
| 265 | C | 90.6 | Very high | 88.8 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 28% | 0.277 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 168.1 | -76.7 | 0 | 0 | 0 | 0 | 110.7 | F261 L263 D267 K268 Y269 | F261-C265 PolarHBondContact O-N 3.5Å; L263-C265 VanDerWaalsContact C-N 3.34Å; L263-C265 PolarHBondContact O-N 3.12Å; C265-D267 PolarHBondContact O-N 3.04Å; C265-K268 PolarHBondContact O-N 3.25Å; C265-Y269 WeakPolarHBondContact O-CD2 3.45Å; C265-Y269 PolarHBondContact O-N 3.37Å |
| 266 | F | 91.2 | Very high | 88.5 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 179.6 | 178.6 | -88.3 | 0 | 0 | 0 | 112.3 | L210 F220 K262 L263 K268 Y269 S270 T277 | L210-F266 HydrophobicContact CB-CB 4.33Å; L210-F266 HydrophobicContact CB-CD2 3.65Å; L210-F266 HydrophobicContact CB-CE2 4.44Å; L210-F266 HydrophobicContact CB-CG 4.33Å; L210-F266 HydrophobicContact CD2-CB 4.21Å; L210-F266 WeakPolarHBondContact O-CE2 3.46Å; F220-F266 HydrophobicContact CE2-CE2 4.28Å; F220-F266 HydrophobicContact CE2-CZ 4.19Å; F220-F266 HydrophobicContact CZ-CD1 4.08Å; F220-F266 HydrophobicContact CZ-CD2 4.08Å; F220-F266 AromaticContact CZ-CE1 3.95Å; F220-F266 HydrophobicContact CZ-CE1 3.95Å; F220-F266 AromaticContact CZ-CE2 3.92Å; F220-F266 HydrophobicContact CZ-CE2 3.92Å; F220-F266 HydrophobicContact CZ-CG 4.14Å; F220-F266 AromaticContact CZ-CZ 3.87Å; F220-F266 HydrophobicContact CZ-CZ 3.87Å; K262-F266 WeakPolarHBondContact O-CB 3.28Å; K262-F266 PolarHBondContact O-N 3.5Å; L263-F266 PolarHBondContact O-N 2.88Å; F266-K268 VanDerWaalsContact C-N 3.32Å; F266-K268 PolarHBondContact O-N 3.42Å; F266-Y269 PolarHBondContact O-N 2.92Å; F266-Y269 VanDerWaalsContact O-N 3.14Å; F266-S270 WeakPolarHBondContact O-CB 3.42Å; F266-S270 PolarHBondContact O-N 2.92Å; F266-T277 HydrophobicContact CD1-CG2 3.85Å; F266-T277 HydrophobicContact CE1-CG2 4.1Å |
| 267 | D | 89.1 | Confident | 88.2 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -35.2 | -178 | -67.2 | -31.4 | 0 | 0 | 0 | 111.9 | L263 C265 Y269 S270 G271 T277 R281 | L263-D267 PolarHBondContact O-N 2.87Å; C265-D267 PolarHBondContact O-N 3.04Å; D267-Y269 VanDerWaalsContact C-N 3.34Å; D267-Y269 PolarHBondContact O-N 3.39Å; D267-S270 PolarHBondContact O-N 3.26Å; D267-G271 PolarHBondContact O-N 3.36Å; D267-G271 VanDerWaalsContact O-N 3.11Å; D267-T277 WeakPolarHBondContact OD1-CB 3.49Å; D267-T277 WeakPolarHBondContact OD1-CG2 3.35Å; D267-T277 PolarHBondContact OD1-OG1 2.89Å; D267-T277 PolarHBondContact OD2-OG1 3.07Å; D267-R281 IonicContact OD2-CZ 2.87Å; D267-R281 IonicContact OD2-NH1 3.27Å; D267-R281 PolarHBondContact OD2-NH1 2.92Å; D267-R281 IonicContact OD2-NH2 2.84Å; D267-R281 PolarHBondContact OD2-NH2 2.98Å |
| 268 | K | 87.5 | Confident | 88 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.9 | -40 | 172.9 | -79.9 | 167.6 | -175.6 | 156.6 | 0 | 112.9 | D264 C265 F266 Y317 | D264-K268 WeakPolarHBondContact O-CB 3.35Å; D264-K268 VanDerWaalsContact O-CD 3.32Å; D264-K268 WeakPolarHBondContact O-CD 3.48Å; D264-K268 WeakPolarHBondContact O-CG 3.27Å; D264-K268 PolarHBondContact O-N 3.03Å; C265-K268 PolarHBondContact O-N 3.25Å; F266-K268 VanDerWaalsContact C-N 3.32Å; F266-K268 PolarHBondContact O-N 3.42Å; K268-Y317 WeakPolarHBondContact CE-OH 3.34Å; K268-Y317 PolarHBondContact NZ-OH 3.21Å |
| 269 | Y | 85.8 | Confident | 87.9 | Confident | 176 Ų | 176 | 65.6 Ų | 65.6 | 69% | 0.69 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -81.6 | -32.6 | 177.6 | -69.9 | -68.3 | 0 | 0 | 0 | 112.8 | C265 F266 D267 G271 | C265-Y269 WeakPolarHBondContact O-CD2 3.45Å; C265-Y269 PolarHBondContact O-N 3.37Å; F266-Y269 PolarHBondContact O-N 2.92Å; F266-Y269 VanDerWaalsContact O-N 3.14Å; D267-Y269 VanDerWaalsContact C-N 3.34Å; D267-Y269 PolarHBondContact O-N 3.39Å; Y269-G271 PolarHBondContact O-N 3.49Å |
| 270 | S | 83.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76.4 | -8.9 | 179.2 | -165.6 | 0 | 0 | 0 | 0 | 113.6 | F266 D267 S272 | F266-S270 WeakPolarHBondContact O-CB 3.42Å; F266-S270 PolarHBondContact O-N 2.92Å; D267-S270 PolarHBondContact O-N 3.26Å; S270-S272 PolarHBondContact O-N 2.89Å; S270-S272 PolarHBondContact O-OG 3.1Å |
| 271 | G | 74.2 | Confident | 87.8 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 76% | 0.763 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 11.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | D267 Y269 | D267-G271 PolarHBondContact O-N 3.36Å; D267-G271 VanDerWaalsContact O-N 3.11Å; Y269-G271 PolarHBondContact O-N 3.49Å |
| 272 | S | 70.5 | Confident | 87.7 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -159.3 | 134.3 | -171.7 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | S270 N274 | S270-S272 PolarHBondContact O-N 2.89Å; S270-S272 PolarHBondContact O-OG 3.1Å; S272-N274 PolarHBondContact O-N 3.36Å |
| 273 | N | 71.1 | Confident | 87.8 | Confident | 126 Ų | 126 | 64.6 Ų | 64.6 | 67% | 0.674 | 35% | 0.352 | S | S | * | . | trans | -66.9 | 113.9 | 174.5 | -75.8 | 50.5 | 0 | 0 | 0 | 109.9 | ||||
| 274 | N | 81.4 | Confident | 87.9 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 32% | 0.316 | 35% | 0.352 | S | S | . | . | trans | -86.9 | 126.7 | 176.3 | -178.6 | -7.8 | 0 | 0 | 0 | 109.6 | S272 L276 T277 D278 | S272-N274 PolarHBondContact O-N 3.36Å; N274-L276 PolarHBondContact O-N 3.44Å; N274-L276 WeakPolarHBondContact OD1-CB 3.43Å; N274-L276 PolarHBondContact OD1-N 3.38Å; N274-T277 HydrophobicContact CB-CG2 4.12Å; N274-T277 PolarHBondContact O-N 2.98Å; N274-T277 PolarHBondContact O-OG1 2.85Å; N274-D278 PolarHBondContact O-N 2.89Å | ||
| 275 | R | 88.3 | Confident | 88.1 | Confident | 224 Ų | 224 | 64.4 Ų | 64.4 | 85% | 0.845 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -53.6 | -27.6 | 176.5 | -67.5 | -176 | 177.8 | -173.5 | -1 | 113.1 | S279 | R275-S279 VanDerWaalsContact O-CB 3.26Å; R275-S279 WeakPolarHBondContact O-CB 3.35Å; R275-S279 PolarHBondContact O-N 2.84Å; R275-S279 VanDerWaalsContact O-N 3.08Å |
| 276 | L | 90.5 | Very high | 88.3 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 42% | 0.419 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.6 | -43.5 | 174.6 | -176.4 | 59.4 | 0 | 0 | 0 | 112.4 | F220 N274 S279 I280 | F220-L276 HydrophobicContact CB-CD2 3.77Å; F220-L276 HydrophobicContact CB-CG 4.35Å; F220-L276 HydrophobicContact CD2-CD2 4.1Å; F220-L276 HydrophobicContact CG-CD2 3.9Å; F220-L276 HydrophobicContact CG-CG 4.46Å; N274-L276 PolarHBondContact O-N 3.44Å; N274-L276 WeakPolarHBondContact OD1-CB 3.43Å; N274-L276 PolarHBondContact OD1-N 3.38Å; L276-S279 PolarHBondContact O-N 3.22Å; L276-I280 HydrophobicContact CD1-CD1 4.13Å; L276-I280 HydrophobicContact CG-CD1 4.15Å; L276-I280 WeakPolarHBondContact O-CD1 3.43Å; L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.46Å; L276-I280 PolarHBondContact O-N 3.37Å; L276-I280 VanDerWaalsContact O-N 3.08Å |
| 277 | T | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 179.1 | 57 | 0 | 0 | 0 | 0 | 110.7 | F220 L263 F266 D267 N274 S279 I280 R281 | F220-T277 HydrophobicContact CE1-CG2 3.7Å; F220-T277 HydrophobicContact CZ-CG2 4.08Å; L263-T277 HydrophobicContact CD2-CG2 3.85Å; F266-T277 HydrophobicContact CD1-CG2 3.85Å; F266-T277 HydrophobicContact CE1-CG2 4.1Å; D267-T277 WeakPolarHBondContact OD1-CB 3.49Å; D267-T277 WeakPolarHBondContact OD1-CG2 3.35Å; D267-T277 PolarHBondContact OD1-OG1 2.89Å; D267-T277 PolarHBondContact OD2-OG1 3.07Å; N274-T277 HydrophobicContact CB-CG2 4.12Å; N274-T277 PolarHBondContact O-N 2.98Å; N274-T277 PolarHBondContact O-OG1 2.85Å; T277-S279 PolarHBondContact O-N 2.8Å; T277-I280 PolarHBondContact O-N 2.67Å; T277-R281 WeakPolarHBondContact O-CB 3.22Å; T277-R281 PolarHBondContact O-N 3.19Å |
| 278 | D | 91.1 | Very high | 88.8 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 173.5 | -73.7 | -29.1 | 0 | 0 | 0 | 113.5 | N274 R281 S282 | N274-D278 PolarHBondContact O-N 2.89Å; D278-R281 IonicContact OD1-CZ 3.25Å; D278-R281 IonicContact OD1-NH1 2.68Å; D278-R281 PolarHBondContact OD1-NH1 2.96Å; D278-S282 WeakPolarHBondContact O-CB 3.45Å; D278-S282 PolarHBondContact O-N 2.83Å; D278-S282 PolarHBondContact O-OG 3.19Å |
| 279 | S | 94 | Very high | 89.2 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.7 | -36.2 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | R275 L276 T277 S283 | R275-S279 VanDerWaalsContact O-CB 3.26Å; R275-S279 WeakPolarHBondContact O-CB 3.35Å; R275-S279 PolarHBondContact O-N 2.84Å; R275-S279 VanDerWaalsContact O-N 3.08Å; L276-S279 PolarHBondContact O-N 3.22Å; T277-S279 PolarHBondContact O-N 2.8Å; S279-S283 PolarHBondContact O-N 2.86Å |
| 280 | I | 95.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.9 | -47 | 175.6 | -64.6 | 163.9 | 0 | 0 | 0 | 109.5 | F220 L223 I259 L263 L276 T277 S282 S283 I284 | F220-I280 HydrophobicContact CB-CD1 4.2Å; F220-I280 HydrophobicContact CD1-CD1 3.93Å; L223-I280 HydrophobicContact CB-CD1 4.2Å; L223-I280 HydrophobicContact CB-CG2 3.99Å; I259-I280 HydrophobicContact CG2-CG2 4.36Å; L263-I280 HydrophobicContact CD1-CB 4.17Å; L263-I280 HydrophobicContact CD1-CG2 3.83Å; L276-I280 HydrophobicContact CD1-CD1 4.13Å; L276-I280 HydrophobicContact CG-CD1 4.15Å; L276-I280 WeakPolarHBondContact O-CD1 3.43Å; L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.46Å; L276-I280 PolarHBondContact O-N 3.37Å; L276-I280 VanDerWaalsContact O-N 3.08Å; T277-I280 PolarHBondContact O-N 2.67Å; I280-S282 PolarHBondContact O-N 3.07Å; I280-S283 PolarHBondContact O-N 3.17Å; I280-S283 VanDerWaalsContact O-N 3.1Å; I280-I284 HydrophobicContact CG2-CG1 4.21Å; I280-I284 WeakPolarHBondContact O-CG1 3.48Å; I280-I284 PolarHBondContact O-N 2.94Å |
| 281 | R | 94.3 | Very high | 90.2 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -51.6 | -50.1 | 176.3 | 174.1 | -179.5 | -73.3 | 115.5 | 2.7 | 111.9 | L260 L263 D264 D267 T277 D278 S283 I284 L285 Y318 | L260-R281 HydrophobicContact CD2-CB 4.36Å; L260-R281 HydrophobicContact CD2-CG 3.96Å; L263-R281 HydrophobicContact CD1-CB 4.31Å; D264-R281 IonicContact OD1-CZ 2.66Å; D264-R281 IonicContact OD1-NE 2.87Å; D264-R281 PolarHBondContact OD1-NE 3.21Å; D264-R281 IonicContact OD1-NH2 3.31Å; D264-R281 PolarHBondContact OD1-NH2 2.96Å; D267-R281 IonicContact OD2-CZ 2.87Å; D267-R281 IonicContact OD2-NH1 3.27Å; D267-R281 PolarHBondContact OD2-NH1 2.92Å; D267-R281 IonicContact OD2-NH2 2.84Å; D267-R281 PolarHBondContact OD2-NH2 2.98Å; T277-R281 WeakPolarHBondContact O-CB 3.22Å; T277-R281 PolarHBondContact O-N 3.19Å; D278-R281 IonicContact OD1-CZ 3.25Å; D278-R281 IonicContact OD1-NH1 2.68Å; D278-R281 PolarHBondContact OD1-NH1 2.96Å; R281-S283 PolarHBondContact O-N 2.76Å; R281-I284 PolarHBondContact O-N 2.91Å; R281-L285 HydrophobicContact CG-CD1 4.23Å; R281-L285 WeakPolarHBondContact O-CG 3.41Å; R281-L285 PolarHBondContact O-N 2.95Å; R281-Y318 HydrophobicContact CG-CE2 4.35Å; R281-Y318 VanDerWaalsContact NE-CE1 3.35Å; R281-Y318 PolarHBondContact NE-OH 2.86Å |
| 282 | S | 93.6 | Very high | 91.2 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | D278 I280 I284 L285 D286 | D278-S282 WeakPolarHBondContact O-CB 3.45Å; D278-S282 PolarHBondContact O-N 2.83Å; D278-S282 PolarHBondContact O-OG 3.19Å; I280-S282 PolarHBondContact O-N 3.07Å; S282-I284 VanDerWaalsContact C-N 3.32Å; S282-I284 PolarHBondContact O-N 3.13Å; S282-L285 PolarHBondContact O-N 3.02Å; S282-D286 PolarHBondContact O-N 2.92Å |
| 283 | S | 95.7 | Very high | 92.4 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.3 | -29.7 | -179.8 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | S227 S279 I280 R281 N287 | S227-S283 WeakPolarHBondContact CB-OG 3.42Å; S279-S283 PolarHBondContact O-N 2.86Å; I280-S283 PolarHBondContact O-N 3.17Å; I280-S283 VanDerWaalsContact O-N 3.1Å; R281-S283 PolarHBondContact O-N 2.76Å; S283-N287 VanDerWaalsContact O-CG 3.22Å; S283-N287 PolarHBondContact O-N 2.72Å; S283-N287 VanDerWaalsContact O-N 3.17Å; S283-N287 PolarHBondContact O-ND2 2.89Å |
| 284 | I | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.9 | -37.5 | 173.3 | -65.2 | -70 | 0 | 0 | 0 | 111 | F226 S227 I259 L260 I280 R281 S282 N287 I288 | F226-I284 HydrophobicContact CD1-CD1 3.88Å; F226-I284 HydrophobicContact CE1-CD1 4.13Å; S227-I284 VanDerWaalsContact OG-CD1 3.29Å; S227-I284 WeakPolarHBondContact OG-CD1 3.32Å; I259-I284 HydrophobicContact CD1-CD1 3.98Å; I259-I284 HydrophobicContact CG2-CD1 4.18Å; I259-I284 HydrophobicContact CG2-CG1 3.94Å; L260-I284 HydrophobicContact CD1-CG2 4.12Å; L260-I284 HydrophobicContact CD2-CB 4.2Å; L260-I284 HydrophobicContact CD2-CG2 3.99Å; L260-I284 HydrophobicContact CG-CG2 3.77Å; I280-I284 HydrophobicContact CG2-CG1 4.21Å; I280-I284 WeakPolarHBondContact O-CG1 3.48Å; I280-I284 PolarHBondContact O-N 2.94Å; R281-I284 PolarHBondContact O-N 2.91Å; S282-I284 VanDerWaalsContact C-N 3.32Å; S282-I284 PolarHBondContact O-N 3.13Å; I284-N287 WeakPolarHBondContact O-CB 3.32Å; I284-N287 PolarHBondContact O-N 2.76Å; I284-I288 HydrophobicContact CG2-CD1 4.11Å; I284-I288 WeakPolarHBondContact O-CG1 3.38Å; I284-I288 PolarHBondContact O-N 3.48Å |
| 285 | L | 94.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 174.3 | -70.3 | 169.1 | 0 | 0 | 0 | 112.1 | L260 R281 S282 N287 I288 I289 R314 Y318 Y320 | L260-L285 HydrophobicContact CD1-CD2 4Å; L260-L285 HydrophobicContact CD2-CG 4.42Å; R281-L285 HydrophobicContact CG-CD1 4.23Å; R281-L285 WeakPolarHBondContact O-CG 3.41Å; R281-L285 PolarHBondContact O-N 2.95Å; S282-L285 PolarHBondContact O-N 3.02Å; L285-N287 VanDerWaalsContact C-N 3.26Å; L285-N287 PolarHBondContact O-N 2.7Å; L285-I288 HydrophobicContact CD2-CD1 4.43Å; L285-I288 PolarHBondContact O-N 2.98Å; L285-I289 WeakPolarHBondContact O-CG1 3.37Å; L285-I289 PolarHBondContact O-N 3.33Å; L285-R314 HydrophobicContact CD2-CB 4.25Å; L285-Y318 HydrophobicContact CD1-CD2 4.05Å; L285-Y318 HydrophobicContact CD1-CE2 4.19Å; L285-Y318 HydrophobicContact CD2-CE2 4.4Å; L285-Y320 HydrophobicContact CD1-CD2 4.13Å; L285-Y320 HydrophobicContact CD1-CE2 4.19Å |
| 286 | D | 94.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 31.6 Ų | 31.6 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.4 | -36.9 | 172 | -85.1 | -48.2 | 0 | 0 | 0 | 111.7 | S282 I289 E290 K324 | S282-D286 PolarHBondContact O-N 2.92Å; D286-I289 PolarHBondContact O-N 3.48Å; D286-E290 PolarHBondContact O-N 3.48Å; D286-K324 IonicContact OD1-NZ 3.1Å; D286-K324 PolarHBondContact OD1-NZ 3.33Å |
| 287 | N | 95.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 173.8 | -77.4 | -21.9 | 0 | 0 | 0 | 113.1 | S227 D231 S283 I284 L285 I289 E290 I291 | S227-N287 WeakPolarHBondContact CA-ND2 3.47Å; S227-N287 PolarHBondContact O-ND2 3.44Å; D231-N287 WeakPolarHBondContact CA-OD1 3.24Å; D231-N287 VanDerWaalsContact CB-OD1 3.31Å; D231-N287 WeakPolarHBondContact CB-OD1 3.41Å; D231-N287 PolarHBondContact N-OD1 3.24Å; S283-N287 VanDerWaalsContact O-CG 3.22Å; S283-N287 PolarHBondContact O-N 2.72Å; S283-N287 VanDerWaalsContact O-N 3.17Å; S283-N287 PolarHBondContact O-ND2 2.89Å; I284-N287 WeakPolarHBondContact O-CB 3.32Å; I284-N287 PolarHBondContact O-N 2.76Å; L285-N287 VanDerWaalsContact C-N 3.26Å; L285-N287 PolarHBondContact O-N 2.7Å; N287-I289 VanDerWaalsContact C-N 3.26Å; N287-I289 PolarHBondContact O-N 2.77Å; N287-E290 PolarHBondContact O-N 3.19Å; N287-I291 VanDerWaalsContact O-CG1 3.25Å; N287-I291 WeakPolarHBondContact O-CG1 3.5Å; N287-I291 PolarHBondContact O-N 3.39Å |
| 288 | I | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.6 | -64.9 | 157.4 | 0 | 0 | 0 | 110.5 | L253 L260 I284 L285 I291 S292 L310 L311 | L253-I288 HydrophobicContact CD2-CG1 4.31Å; L253-I288 HydrophobicContact CD2-CG2 4.07Å; L260-I288 HydrophobicContact CD1-CD1 3.75Å; I284-I288 HydrophobicContact CG2-CD1 4.11Å; I284-I288 WeakPolarHBondContact O-CG1 3.38Å; I284-I288 PolarHBondContact O-N 3.48Å; L285-I288 HydrophobicContact CD2-CD1 4.43Å; L285-I288 PolarHBondContact O-N 2.98Å; I288-I291 PolarHBondContact O-N 3.39Å; I288-S292 PolarHBondContact O-N 3.45Å; I288-L310 HydrophobicContact CD1-CD2 3.66Å; I288-L310 HydrophobicContact CD1-CG 4.22Å; I288-L310 HydrophobicContact CG1-CD2 4Å; I288-L310 HydrophobicContact CG2-CD2 4.01Å; I288-L310 HydrophobicContact CG2-CG 4.42Å; I288-L311 HydrophobicContact CB-CD2 4.3Å; I288-L311 HydrophobicContact CG2-CD1 4.17Å; I288-L311 HydrophobicContact CG2-CD2 3.73Å; I288-L311 HydrophobicContact CG2-CG 3.72Å |
| 289 | I | 94.8 | Very high | 94.7 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 173.2 | -66.1 | 166.4 | 0 | 0 | 0 | 110.8 | L285 D286 N287 I291 S292 N293 L311 Y320 | L285-I289 WeakPolarHBondContact O-CG1 3.37Å; L285-I289 PolarHBondContact O-N 3.33Å; D286-I289 PolarHBondContact O-N 3.48Å; N287-I289 VanDerWaalsContact C-N 3.26Å; N287-I289 PolarHBondContact O-N 2.77Å; I289-I291 PolarHBondContact O-N 2.83Å; I289-S292 WeakPolarHBondContact O-CA 3.4Å; I289-S292 VanDerWaalsContact O-CB 3.28Å; I289-S292 WeakPolarHBondContact O-CB 3.28Å; I289-S292 PolarHBondContact O-N 2.91Å; I289-S292 VanDerWaalsContact O-N 3.13Å; I289-N293 PolarHBondContact O-N 3.25Å; I289-L311 HydrophobicContact CG1-CD1 4.41Å; I289-L311 HydrophobicContact CG1-CD2 4.16Å; I289-Y320 HydrophobicContact CD1-CE1 4.47Å |
| 290 | E | 94.7 | Very high | 94.7 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.3 | -27.5 | 179.1 | -170.5 | 68.5 | 170.2 | 0 | 0 | 112.9 | V234 S235 I236 D286 N287 N293 R294 | V234-E290 HydrophobicContact CG2-CB 3.89Å; V234-E290 HydrophobicContact CG2-CG 3.75Å; S235-E290 VanDerWaalsContact CA-OE1 3.29Å; S235-E290 WeakPolarHBondContact CA-OE1 3.31Å; I236-E290 PolarHBondContact N-OE1 3.34Å; D286-E290 PolarHBondContact O-N 3.48Å; N287-E290 PolarHBondContact O-N 3.19Å; E290-N293 PolarHBondContact O-N 2.95Å; E290-N293 PolarHBondContact OE2-ND2 3.11Å; E290-R294 VanDerWaalsContact O-CB 3.24Å; E290-R294 WeakPolarHBondContact O-CB 3.26Å; E290-R294 PolarHBondContact O-N 3.04Å |
| 291 | I | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 166.1 | -65.8 | 162 | 0 | 0 | 0 | 110.3 | V234 L249 L252 L253 N287 I288 I289 R294 A295 | V234-I291 HydrophobicContact CB-CG1 3.93Å; V234-I291 HydrophobicContact CG1-CD1 4.21Å; V234-I291 HydrophobicContact CG1-CG1 3.41Å; V234-I291 VanDerWaalsContact CG1-CG1 3.41Å; V234-I291 HydrophobicContact CG2-CG1 4.28Å; L249-I291 HydrophobicContact CB-CG2 4.04Å; L249-I291 HydrophobicContact CD1-CG2 4.35Å; L249-I291 HydrophobicContact CD2-CG2 4.41Å; L249-I291 HydrophobicContact CG-CG2 4.5Å; L252-I291 HydrophobicContact CB-CD1 4.05Å; L253-I291 HydrophobicContact CD1-CG2 4Å; L253-I291 HydrophobicContact CD2-CB 4.12Å; L253-I291 HydrophobicContact CD2-CD1 3.72Å; L253-I291 HydrophobicContact CD2-CG2 3.84Å; L253-I291 HydrophobicContact CG-CD1 4.08Å; L253-I291 HydrophobicContact CG-CG2 3.88Å; N287-I291 VanDerWaalsContact O-CG1 3.25Å; N287-I291 WeakPolarHBondContact O-CG1 3.5Å; N287-I291 PolarHBondContact O-N 3.39Å; I288-I291 PolarHBondContact O-N 3.39Å; I289-I291 PolarHBondContact O-N 2.83Å; I291-R294 PolarHBondContact O-N 3.28Å; I291-A295 VanDerWaalsContact O-CB 3.28Å; I291-A295 WeakPolarHBondContact O-CB 3.28Å; I291-A295 PolarHBondContact O-N 3.48Å |
| 292 | S | 95.8 | Very high | 94.6 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.1 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | I288 I289 R294 A295 T296 L304 | I288-S292 PolarHBondContact O-N 3.45Å; I289-S292 WeakPolarHBondContact O-CA 3.4Å; I289-S292 VanDerWaalsContact O-CB 3.28Å; I289-S292 WeakPolarHBondContact O-CB 3.28Å; I289-S292 PolarHBondContact O-N 2.91Å; I289-S292 VanDerWaalsContact O-N 3.13Å; S292-R294 VanDerWaalsContact C-N 3.33Å; S292-R294 PolarHBondContact O-N 3.43Å; S292-A295 PolarHBondContact O-N 2.88Å; S292-T296 WeakPolarHBondContact O-CB 3.2Å; S292-T296 PolarHBondContact O-N 3.36Å; S292-T296 PolarHBondContact O-OG1 2.68Å; S292-L304 WeakPolarHBondContact O-CD2 3.36Å |
| 293 | N | 94.7 | Very high | 94.6 | Very high | 70 Ų | 70 | 41 Ų | 41 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -46 | 172.5 | -63.7 | -22.4 | 0 | 0 | 0 | 110.8 | I236 I289 E290 T296 H297 | I236-N293 HydrophobicContact CD1-CB 3.75Å; I289-N293 PolarHBondContact O-N 3.25Å; E290-N293 PolarHBondContact O-N 2.95Å; E290-N293 PolarHBondContact OE2-ND2 3.11Å; N293-T296 WeakPolarHBondContact O-CB 3.37Å; N293-T296 PolarHBondContact O-N 3.09Å; N293-H297 PolarHBondContact O-N 3.01Å |
| 294 | R | 93.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | -177 | -170.8 | 59.9 | 177.1 | -84.7 | -10.3 | 112.9 | V233 V234 S235 I236 I242 T244 L249 E290 I291 S292 T296 H297 H298 | V233-R294 PolarHBondContact O-NH1 2.92Å; V233-R294 VanDerWaalsContact O-NH1 3.09Å; V234-R294 WeakPolarHBondContact O-CB 3.29Å; V234-R294 VanDerWaalsContact O-CD 3.32Å; V234-R294 WeakPolarHBondContact O-CD 3.29Å; V234-R294 VanDerWaalsContact O-CG 3.28Å; V234-R294 WeakPolarHBondContact O-CG 3.5Å; V234-R294 PolarHBondContact O-NH1 3.45Å; S235-R294 PolarHBondContact O-NH1 3.28Å; I236-R294 HydrophobicContact CG1-CB 4.38Å; I242-R294 PolarHBondContact O-NH2 3.45Å; T244-R294 PolarHBondContact OG1-NE 2.82Å; T244-R294 PolarHBondContact OG1-NH2 3.3Å; L249-R294 HydrophobicContact CD1-CB 4.37Å; L249-R294 HydrophobicContact CD1-CG 4.15Å; L249-R294 HydrophobicContact CD2-CG 4.47Å; E290-R294 VanDerWaalsContact O-CB 3.24Å; E290-R294 WeakPolarHBondContact O-CB 3.26Å; E290-R294 PolarHBondContact O-N 3.04Å; I291-R294 PolarHBondContact O-N 3.28Å; S292-R294 VanDerWaalsContact C-N 3.33Å; S292-R294 PolarHBondContact O-N 3.43Å; R294-T296 VanDerWaalsContact C-N 3.28Å; R294-H297 PolarHBondContact O-N 2.64Å; R294-H298 PolarHBondContact NE-CD2 3.36Å; R294-H298 PolarHBondContact O-CD2 2.94Å; R294-H298 PolarHBondContact O-N 3.28Å |
| 295 | A | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L249 I291 S292 H298 C299 F300 C303 L304 | L249-A295 HydrophobicContact CD1-CB 4.22Å; I291-A295 VanDerWaalsContact O-CB 3.28Å; I291-A295 WeakPolarHBondContact O-CB 3.28Å; I291-A295 PolarHBondContact O-N 3.48Å; S292-A295 PolarHBondContact O-N 2.88Å; A295-H298 CarbonylContact O-C 3.57Å; A295-C299 CarbonylContact O-C 3.56Å; A295-C299 WeakPolarHBondContact O-CA 3.4Å; A295-C299 PolarHBondContact O-N 3.34Å; A295-F300 HydrophobicContact CB-CB 4.21Å; A295-F300 PolarHBondContact O-N 3.14Å; A295-C303 HydrophobicContact CB-CB 3.66Å; A295-L304 HydrophobicContact CB-CD2 3.76Å; A295-L304 HydrophobicContact CB-CG 3.83Å |
| 296 | T | 94.9 | Very high | 94.6 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.5 | -47.7 | 172.1 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | S292 N293 R294 H298 C299 L304 | S292-T296 WeakPolarHBondContact O-CB 3.2Å; S292-T296 PolarHBondContact O-N 3.36Å; S292-T296 PolarHBondContact O-OG1 2.68Å; N293-T296 WeakPolarHBondContact O-CB 3.37Å; N293-T296 PolarHBondContact O-N 3.09Å; R294-T296 VanDerWaalsContact C-N 3.28Å; T296-H298 PolarHBondContact O-N 2.93Å; T296-C299 PolarHBondContact O-N 3.41Å; T296-C299 VanDerWaalsContact O-N 3.17Å; T296-L304 WeakPolarHBondContact OG1-CD2 3.08Å |
| 297 | H | 92.9 | Very high | 94.6 | Very high | 119 Ų | 119 | 45.1 Ų | 45.1 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57.4 | -31.4 | 177.8 | -174.5 | -77.5 | 0 | 0 | 0 | 113.4 | I236 N293 R294 | I236-H297 HydrophobicContact CD1-CB 4.08Å; N293-H297 PolarHBondContact O-N 3.01Å; R294-H297 PolarHBondContact O-N 2.64Å |
| 298 | H | 91.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 40% | 0.398 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 10.6 | 179.4 | -66.9 | -70.2 | 0 | 0 | 0 | 114.6 | R294 A295 T296 F300 | R294-H298 PolarHBondContact NE-CD2 3.36Å; R294-H298 PolarHBondContact O-CD2 2.94Å; R294-H298 PolarHBondContact O-N 3.28Å; A295-H298 CarbonylContact O-C 3.57Å; T296-H298 PolarHBondContact O-N 2.93Å; H298-F300 HydrophobicContact CB-CD1 4.14Å; H298-F300 HydrophobicContact CB-CD2 3.73Å; H298-F300 HydrophobicContact CB-CE1 3.94Å; H298-F300 HydrophobicContact CB-CE2 3.52Å; H298-F300 HydrophobicContact CB-CG 4.05Å; H298-F300 HydrophobicContact CB-CZ 3.64Å; H298-F300 WeakPolarHBondContact O-CD1 3.35Å; H298-F300 PolarHBondContact O-N 3.23Å; H298-F300 VanDerWaalsContact O-N 3.12Å |
| 299 | C | 94.5 | Very high | 94.5 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 60% | 0.601 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 28.6 | -178.8 | -59.3 | 0 | 0 | 0 | 0 | 115.3 | A295 T296 S301 | A295-C299 CarbonylContact O-C 3.56Å; A295-C299 WeakPolarHBondContact O-CA 3.4Å; A295-C299 PolarHBondContact O-N 3.34Å; T296-C299 PolarHBondContact O-N 3.41Å; T296-C299 VanDerWaalsContact O-N 3.17Å; C299-S301 PolarHBondContact O-N 3.26Å |
| 300 | F | 94.2 | Very high | 94.4 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | trans | -76.8 | 81 | -178.7 | -63.7 | -30.7 | 0 | 0 | 0 | 111.5 | L249 A295 H298 S302 C303 L304 | L249-F300 HydrophobicContact CD1-CD2 3.88Å; L249-F300 HydrophobicContact CD1-CE2 4.29Å; A295-F300 HydrophobicContact CB-CB 4.21Å; A295-F300 PolarHBondContact O-N 3.14Å; H298-F300 HydrophobicContact CB-CD1 4.14Å; H298-F300 HydrophobicContact CB-CD2 3.73Å; H298-F300 HydrophobicContact CB-CE1 3.94Å; H298-F300 HydrophobicContact CB-CE2 3.52Å; H298-F300 HydrophobicContact CB-CG 4.05Å; H298-F300 HydrophobicContact CB-CZ 3.64Å; H298-F300 WeakPolarHBondContact O-CD1 3.35Å; H298-F300 PolarHBondContact O-N 3.23Å; H298-F300 VanDerWaalsContact O-N 3.12Å; F300-S302 VanDerWaalsContact C-N 3.34Å; F300-S302 PolarHBondContact O-N 2.98Å; F300-C303 HydrophobicContact CB-CB 4.12Å; F300-C303 WeakPolarHBondContact O-CB 3.49Å; F300-C303 PolarHBondContact O-N 3.24Å; F300-C303 VanDerWaalsContact O-N 3.09Å; F300-L304 PolarHBondContact O-N 3.5Å | ||
| 301 | S | 94.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -51.5 | -42.8 | -175.4 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | C299 L304 L305 | C299-S301 PolarHBondContact O-N 3.26Å; S301-L304 PolarHBondContact O-N 2.98Å; S301-L305 PolarHBondContact O-N 2.89Å |
| 302 | S | 92.4 | Very high | 94 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 177.8 | -46.9 | 0 | 0 | 0 | 0 | 112.3 | F300 L305 V306 | F300-S302 VanDerWaalsContact C-N 3.34Å; F300-S302 PolarHBondContact O-N 2.98Å; S302-L305 PolarHBondContact O-N 2.88Å; S302-V306 WeakPolarHBondContact O-CG2 3.2Å; S302-V306 PolarHBondContact O-N 2.94Å |
| 303 | C | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 111 | S246 A295 F300 L305 V306 C307 | S246-C303 PolarHBondContact O-SG 3.28Å; S246-C303 VanDerWaalsContact O-SG 3.39Å; S246-C303 PolarHBondContact OG-SG 3.08Å; S246-C303 VanDerWaalsContact OG-SG 3.37Å; A295-C303 HydrophobicContact CB-CB 3.66Å; F300-C303 HydrophobicContact CB-CB 4.12Å; F300-C303 WeakPolarHBondContact O-CB 3.49Å; F300-C303 PolarHBondContact O-N 3.24Å; F300-C303 VanDerWaalsContact O-N 3.09Å; C303-L305 PolarHBondContact O-N 3.44Å; C303-V306 PolarHBondContact O-N 3.11Å; C303-C307 WeakPolarHBondContact O-CB 3.47Å; C303-C307 PolarHBondContact O-N 2.9Å; C303-C307 PolarHBondContact O-SG 2.89Å |
| 304 | L | 95.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 179.1 | -71 | 170.9 | 0 | 0 | 0 | 112.5 | S292 A295 T296 F300 S301 V306 C307 Q308 | S292-L304 WeakPolarHBondContact O-CD2 3.36Å; A295-L304 HydrophobicContact CB-CD2 3.76Å; A295-L304 HydrophobicContact CB-CG 3.83Å; T296-L304 WeakPolarHBondContact OG1-CD2 3.08Å; F300-L304 PolarHBondContact O-N 3.5Å; S301-L304 PolarHBondContact O-N 2.98Å; L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 PolarHBondContact O-N 3.31Å; L304-C307 PolarHBondContact O-N 3.42Å; L304-Q308 WeakPolarHBondContact O-CB 3.45Å; L304-Q308 VanDerWaalsContact O-CG 3.26Å; L304-Q308 WeakPolarHBondContact O-CG 3.09Å; L304-Q308 PolarHBondContact O-N 3.38Å |
| 305 | L | 95.5 | Very high | 93.1 | Very high | 116 Ų | 116 | 63.8 Ų | 63.8 | 61% | 0.607 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.6 | -44.2 | 177.2 | 179.6 | 62.1 | 0 | 0 | 0 | 111.6 | S301 S302 C303 S309 | S301-L305 PolarHBondContact O-N 2.89Å; S302-L305 PolarHBondContact O-N 2.88Å; C303-L305 PolarHBondContact O-N 3.44Å; L305-S309 WeakPolarHBondContact O-CB 3.32Å; L305-S309 PolarHBondContact O-N 3.45Å; L305-S309 PolarHBondContact O-OG 2.87Å |
| 306 | V | 95.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.2 | -42.2 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | M250 L253 S302 C303 L304 Q308 S309 L310 | M250-V306 HydrophobicContact CE-CB 4.35Å; M250-V306 HydrophobicContact CE-CG1 4.21Å; M250-V306 HydrophobicContact CE-CG2 4.05Å; M250-V306 HydrophobicContact SD-CB 4.37Å; M250-V306 HydrophobicContact SD-CG2 4.29Å; L253-V306 HydrophobicContact CD1-CB 4.44Å; L253-V306 HydrophobicContact CD1-CG1 4.21Å; S302-V306 WeakPolarHBondContact O-CG2 3.2Å; S302-V306 PolarHBondContact O-N 2.94Å; C303-V306 PolarHBondContact O-N 3.11Å; L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 PolarHBondContact O-N 3.31Å; V306-Q308 VanDerWaalsContact C-N 3.35Å; V306-Q308 PolarHBondContact O-N 3.35Å; V306-S309 PolarHBondContact O-N 2.83Å; V306-L310 WeakPolarHBondContact O-CB 3.23Å; V306-L310 PolarHBondContact O-N 3.49Å |
| 307 | C | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.5 | -49.4 | 170.8 | -77 | 0 | 0 | 0 | 0 | 112 | L253 C303 L304 L310 L311 | L253-C307 VanDerWaalsContact CD1-SG 3.6Å; L253-C307 VanDerWaalsContact CD2-SG 3.59Å; C303-C307 WeakPolarHBondContact O-CB 3.47Å; C303-C307 PolarHBondContact O-N 2.9Å; C303-C307 PolarHBondContact O-SG 2.89Å; L304-C307 PolarHBondContact O-N 3.42Å; C307-L310 PolarHBondContact O-N 2.99Å; C307-L311 WeakPolarHBondContact O-CB 3.36Å; C307-L311 VanDerWaalsContact O-CG 3.27Å; C307-L311 WeakPolarHBondContact O-CG 3.24Å; C307-L311 PolarHBondContact O-N 2.88Å |
| 308 | Q | 93.8 | Very high | 91.3 | Very high | 118 Ų | 118 | 66.5 Ų | 66.5 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.2 | -42.5 | -178.2 | -71.6 | 174.4 | 12.6 | 0 | 0 | 111.8 | L304 V306 H312 | L304-Q308 WeakPolarHBondContact O-CB 3.45Å; L304-Q308 VanDerWaalsContact O-CG 3.26Å; L304-Q308 WeakPolarHBondContact O-CG 3.09Å; L304-Q308 PolarHBondContact O-N 3.38Å; V306-Q308 VanDerWaalsContact C-N 3.35Å; V306-Q308 PolarHBondContact O-N 3.35Å; Q308-H312 VanDerWaalsContact O-CB 3.22Å; Q308-H312 WeakPolarHBondContact O-CB 3.47Å; Q308-H312 PolarHBondContact O-N 3.18Å |
| 309 | S | 93.9 | Very high | 90.3 | Very high | 69 Ų | 69 | 69.3 Ų | 69.3 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | L305 V306 H312 Y313 | L305-S309 WeakPolarHBondContact O-CB 3.32Å; L305-S309 PolarHBondContact O-N 3.45Å; L305-S309 PolarHBondContact O-OG 2.87Å; V306-S309 PolarHBondContact O-N 2.83Å; S309-H312 PolarHBondContact O-N 3.31Å; S309-Y313 WeakPolarHBondContact O-CB 3.19Å; S309-Y313 PolarHBondContact O-N 2.97Å |
| 310 | L | 93.7 | Very high | 88.6 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -50 | 178 | 178.6 | 57.1 | 0 | 0 | 0 | 111.5 | L253 D257 I288 V306 C307 H312 Y313 R314 | L253-L310 HydrophobicContact CD2-CD2 4.35Å; D257-L310 HydrophobicContact CB-CD1 3.84Å; D257-L310 HydrophobicContact CB-CD2 4.19Å; D257-L310 WeakPolarHBondContact OD1-CD1 3.27Å; I288-L310 HydrophobicContact CD1-CD2 3.66Å; I288-L310 HydrophobicContact CD1-CG 4.22Å; I288-L310 HydrophobicContact CG1-CD2 4Å; I288-L310 HydrophobicContact CG2-CD2 4.01Å; I288-L310 HydrophobicContact CG2-CG 4.42Å; V306-L310 WeakPolarHBondContact O-CB 3.23Å; V306-L310 PolarHBondContact O-N 3.49Å; C307-L310 PolarHBondContact O-N 2.99Å; L310-H312 VanDerWaalsContact C-N 3.32Å; L310-H312 PolarHBondContact O-N 2.91Å; L310-Y313 PolarHBondContact O-N 2.8Å; L310-R314 HydrophobicContact CD1-CG 3.74Å; L310-R314 HydrophobicContact CG-CG 4.39Å; L310-R314 WeakPolarHBondContact O-CB 3.45Å; L310-R314 WeakPolarHBondContact O-CG 3.45Å; L310-R314 PolarHBondContact O-N 3.43Å |
| 311 | L | 92.4 | Very high | 86.5 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63 | -37.3 | 177.6 | -71.1 | 169.8 | 0 | 0 | 0 | 112.1 | I288 I289 C307 S315 | I288-L311 HydrophobicContact CB-CD2 4.3Å; I288-L311 HydrophobicContact CG2-CD1 4.17Å; I288-L311 HydrophobicContact CG2-CD2 3.73Å; I288-L311 HydrophobicContact CG2-CG 3.72Å; I289-L311 HydrophobicContact CG1-CD1 4.41Å; I289-L311 HydrophobicContact CG1-CD2 4.16Å; C307-L311 WeakPolarHBondContact O-CB 3.36Å; C307-L311 VanDerWaalsContact O-CG 3.27Å; C307-L311 WeakPolarHBondContact O-CG 3.24Å; C307-L311 PolarHBondContact O-N 2.88Å; L311-S315 WeakPolarHBondContact O-CB 3.22Å; L311-S315 PolarHBondContact O-N 2.97Å; L311-S315 PolarHBondContact O-OG 3.04Å |
| 312 | H | 91.1 | Very high | 84.5 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.3 | -47.3 | 174.1 | -178.3 | -98.1 | 0 | 0 | 0 | 112.1 | Q308 S309 L310 S315 I316 | Q308-H312 VanDerWaalsContact O-CB 3.22Å; Q308-H312 WeakPolarHBondContact O-CB 3.47Å; Q308-H312 PolarHBondContact O-N 3.18Å; S309-H312 PolarHBondContact O-N 3.31Å; L310-H312 VanDerWaalsContact C-N 3.32Å; L310-H312 PolarHBondContact O-N 2.91Å; H312-S315 PolarHBondContact O-OG 3.13Å; H312-I316 WeakPolarHBondContact O-CG1 3.21Å; H312-I316 PolarHBondContact O-N 2.8Å |
| 313 | Y | 90.3 | Very high | 82.5 | Confident | 141 Ų | 141 | 73 Ų | 73 | 55% | 0.553 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 175.5 | -179.8 | -105.2 | 0 | 0 | 0 | 112.5 | S309 L310 Y317 | S309-Y313 WeakPolarHBondContact O-CB 3.19Å; S309-Y313 PolarHBondContact O-N 2.97Å; L310-Y313 PolarHBondContact O-N 2.8Å; Y313-Y317 PolarHBondContact O-N 3.43Å |
| 314 | R | 90 | Very high | 80.3 | Confident | 8 Ų | 8 | 79 Ų | 79 | 3% | 0.03 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73.7 | -31.1 | -177 | -63.3 | -61.6 | -175.7 | 168.8 | -1.6 | 113.2 | D257 L260 D264 L285 L310 Y317 Y318 | D257-R314 PolarHBondContact O-NH2 2.69Å; D257-R314 IonicContact OD1-CZ 3.01Å; D257-R314 VanDerWaalsContact OD1-CZ 3.25Å; D257-R314 IonicContact OD1-NE 2.64Å; D257-R314 PolarHBondContact OD1-NE 3.21Å; D257-R314 IonicContact OD1-NH2 3.86Å; D257-R314 PolarHBondContact OD1-NH2 3.18Å; L260-R314 HydrophobicContact CD1-CG 4.1Å; D264-R314 IonicContact OD2-CZ 3.98Å; D264-R314 IonicContact OD2-NH1 3.6Å; D264-R314 PolarHBondContact OD2-NH1 2.8Å; L285-R314 HydrophobicContact CD2-CB 4.25Å; L310-R314 HydrophobicContact CD1-CG 3.74Å; L310-R314 HydrophobicContact CG-CG 4.39Å; L310-R314 WeakPolarHBondContact O-CB 3.45Å; L310-R314 WeakPolarHBondContact O-CG 3.45Å; L310-R314 PolarHBondContact O-N 3.43Å; R314-Y317 PolarHBondContact O-N 3.31Å; R314-Y318 HydrophobicContact CB-CD2 4.13Å; R314-Y318 HydrophobicContact CB-CE2 4.11Å; R314-Y318 HydrophobicContact CG-CE2 4.47Å; R314-Y318 PolarHBondContact NH1-OH 3.27Å; R314-Y318 WeakPolarHBondContact O-CB 3.03Å; R314-Y318 VanDerWaalsContact O-CD2 3.24Å; R314-Y318 WeakPolarHBondContact O-CD2 3.4Å; R314-Y318 PolarHBondContact O-N 3.26Å |
| 315 | S | 85.1 | Confident | 78.1 | Confident | 39 Ų | 39 | 86 Ų | 86 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 174.1 | 55 | 0 | 0 | 0 | 0 | 112.8 | L311 H312 Y317 N319 Y320 | L311-S315 WeakPolarHBondContact O-CB 3.22Å; L311-S315 PolarHBondContact O-N 2.97Å; L311-S315 PolarHBondContact O-OG 3.04Å; H312-S315 PolarHBondContact O-OG 3.13Å; S315-Y317 VanDerWaalsContact C-N 3.33Å; S315-Y317 PolarHBondContact O-N 3.15Å; S315-N319 CarbonylContact O-C 3.51Å; S315-N319 VanDerWaalsContact O-CA 3.29Å; S315-N319 WeakPolarHBondContact O-CA 3.45Å; S315-N319 PolarHBondContact O-N 3.26Å; S315-Y320 WeakPolarHBondContact CB-O 3.49Å; S315-Y320 PolarHBondContact O-N 3.24Å |
| 316 | I | 82.9 | Confident | 75.6 | Confident | 114 Ų | 114 | 89.3 Ų | 89.3 | 59% | 0.585 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.7 | -45 | 171.8 | -66.6 | 167.9 | 0 | 0 | 0 | 110.5 | H312 | H312-I316 WeakPolarHBondContact O-CG1 3.21Å; H312-I316 PolarHBondContact O-N 2.8Å |
| 317 | Y | 81.7 | Confident | 73.2 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 37% | 0.373 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.4 | -37.2 | -174.7 | -173.4 | -97.4 | 0 | 0 | 0 | 114 | D264 K268 Y313 R314 S315 | D264-Y317 HydrophobicContact CB-CE1 4.26Å; D264-Y317 WeakPolarHBondContact OD2-CE1 3.34Å; K268-Y317 WeakPolarHBondContact CE-OH 3.34Å; K268-Y317 PolarHBondContact NZ-OH 3.21Å; Y313-Y317 PolarHBondContact O-N 3.43Å; R314-Y317 PolarHBondContact O-N 3.31Å; S315-Y317 VanDerWaalsContact C-N 3.33Å; S315-Y317 PolarHBondContact O-N 3.15Å |
| 318 | Y | 80.5 | Confident | 70.9 | Confident | 51 Ų | 51 | 101 Ų | 101 | 20% | 0.2 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -97.3 | 0 | -178.3 | -62.5 | -49.7 | 0 | 0 | 0 | 114.6 | L260 D264 R281 L285 R314 Y320 | L260-Y318 HydrophobicContact CD2-CE2 4.38Å; D264-Y318 VanDerWaalsContact OD1-CE1 3.28Å; D264-Y318 WeakPolarHBondContact OD1-CE1 3.49Å; D264-Y318 PolarHBondContact OD1-OH 3.49Å; D264-Y318 PolarHBondContact OD2-OH 3.05Å; R281-Y318 HydrophobicContact CG-CE2 4.35Å; R281-Y318 VanDerWaalsContact NE-CE1 3.35Å; R281-Y318 PolarHBondContact NE-OH 2.86Å; L285-Y318 HydrophobicContact CD1-CD2 4.05Å; L285-Y318 HydrophobicContact CD1-CE2 4.19Å; L285-Y318 HydrophobicContact CD2-CE2 4.4Å; R314-Y318 HydrophobicContact CB-CD2 4.13Å; R314-Y318 HydrophobicContact CB-CE2 4.11Å; R314-Y318 HydrophobicContact CG-CE2 4.47Å; R314-Y318 PolarHBondContact NH1-OH 3.27Å; R314-Y318 WeakPolarHBondContact O-CB 3.03Å; R314-Y318 VanDerWaalsContact O-CD2 3.24Å; R314-Y318 WeakPolarHBondContact O-CD2 3.4Å; R314-Y318 PolarHBondContact O-N 3.26Å; Y318-Y320 PolarHBondContact O-N 3.17Å |
| 319 | N | 69.5 | Low | 68.6 | Low | 145 Ų | 145 | 101.6 Ų | 101.6 | 78% | 0.775 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 28.1 | -160.9 | -68.6 | -51.5 | 0 | 0 | 0 | 113.1 | S315 C321 | S315-N319 CarbonylContact O-C 3.51Å; S315-N319 VanDerWaalsContact O-CA 3.29Å; S315-N319 WeakPolarHBondContact O-CA 3.45Å; S315-N319 PolarHBondContact O-N 3.26Å; N319-C321 VanDerWaalsContact C-N 3.29Å; N319-C321 PolarHBondContact O-N 3.28Å |
| 320 | Y | 60 | Low | 66.1 | Low | 76 Ų | 76 | 100 Ų | 100 | 30% | 0.298 | 47% | 0.474 | S | S | . | . | trans | -76 | 81 | -177.1 | -171.2 | -88.1 | 0 | 0 | 0 | 109.8 | L285 I289 S315 Y318 | L285-Y320 HydrophobicContact CD1-CD2 4.13Å; L285-Y320 HydrophobicContact CD1-CE2 4.19Å; I289-Y320 HydrophobicContact CD1-CE1 4.47Å; S315-Y320 WeakPolarHBondContact CB-O 3.49Å; S315-Y320 PolarHBondContact O-N 3.24Å; Y318-Y320 PolarHBondContact O-N 3.17Å | ||
| 321 | C | 48.7 | Very low | 63.7 | Low | 75 Ų | 75 | 109.3 Ų | 109.3 | 51% | 0.507 | 51% | 0.51 | S | S | . | . | trans | -66.2 | 127.5 | 160.8 | -67.1 | 0 | 0 | 0 | 0 | 108.4 | N319 Q323 | N319-C321 VanDerWaalsContact C-N 3.29Å; N319-C321 PolarHBondContact O-N 3.28Å; C321-Q323 PolarHBondContact O-N 3.09Å | ||
| 322 | D | 53.3 | Low | 61.5 | Low | 57 Ų | 57 | 114.2 Ų | 114.2 | 31% | 0.305 | 53% | 0.534 | S | S | . | . | trans | -59.7 | 98.2 | 172.9 | -179.8 | -9 | 0 | 0 | 0 | 110.3 | K324 R325 | D322-K324 VanDerWaalsContact C-N 3.31Å; D322-K324 WeakPolarHBondContact OD1-CB 3.4Å; D322-K324 PolarHBondContact OD1-N 2.87Å; D322-R325 PolarHBondContact OD1-N 2.96Å; D322-R325 VanDerWaalsContact OD1-N 3.09Å; D322-R325 WeakPolarHBondContact OD2-CD 3.21Å; D322-R325 VanDerWaalsContact OD2-CG 3.23Å; D322-R325 WeakPolarHBondContact OD2-CG 3.45Å; D322-R325 IonicContact OD2-NE 3.38Å; D322-R325 PolarHBondContact OD2-NE 3.35Å | ||
| 323 | Q | 49.7 | Very low | 59.2 | Low | 158 Ų | 158 | 118.8 Ų | 118.8 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.9 | -19.9 | 179.4 | -73.5 | -172.5 | -13.3 | 0 | 0 | 112.7 | C321 | C321-Q323 PolarHBondContact O-N 3.09Å |
| 324 | K | 48.9 | Very low | 56.7 | Low | 127 Ų | 127 | 119.7 Ų | 119.7 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70 | -46.2 | 178.7 | -74 | 172.4 | 179 | 166.9 | 0 | 109.8 | D286 D322 R326 M327 | D286-K324 IonicContact OD1-NZ 3.1Å; D286-K324 PolarHBondContact OD1-NZ 3.33Å; D322-K324 VanDerWaalsContact C-N 3.31Å; D322-K324 WeakPolarHBondContact OD1-CB 3.4Å; D322-K324 PolarHBondContact OD1-N 2.87Å; K324-R326 PolarHBondContact O-N 2.85Å; K324-M327 PolarHBondContact O-N 3.22Å; K324-M327 VanDerWaalsContact O-N 3.17Å |
| 325 | R | 47.8 | Very low | 54.4 | Low | 179 Ų | 179 | 126.5 Ų | 126.5 | 68% | 0.675 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.5 | -39.5 | 176.3 | -78 | -178.9 | -175.3 | -146.9 | -4.1 | 114 | D322 M327 E328 D329 | D322-R325 PolarHBondContact OD1-N 2.96Å; D322-R325 VanDerWaalsContact OD1-N 3.09Å; D322-R325 WeakPolarHBondContact OD2-CD 3.21Å; D322-R325 VanDerWaalsContact OD2-CG 3.23Å; D322-R325 WeakPolarHBondContact OD2-CG 3.45Å; D322-R325 IonicContact OD2-NE 3.38Å; D322-R325 PolarHBondContact OD2-NE 3.35Å; R325-M327 PolarHBondContact O-N 3.06Å; R325-E328 PolarHBondContact O-N 3.05Å; R325-D329 PolarHBondContact O-N 2.81Å |
| 326 | R | 43.7 | Very low | 52.3 | Low | 186 Ų | 186 | 132.5 Ų | 132.5 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.4 | -19.6 | 179.3 | -70.7 | -166.1 | -177.6 | -169.9 | 3.3 | 114.2 | K324 G330 | K324-R326 PolarHBondContact O-N 2.85Å; R326-G330 PolarHBondContact O-N 3.35Å |
| 327 | M | 45.3 | Very low | 50.3 | Low | 139 Ų | 139 | 133.7 Ų | 133.7 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79 | -27.2 | 176.7 | -76.5 | -73.1 | 179.3 | 0 | 0 | 113 | K324 R325 Y331 | K324-M327 PolarHBondContact O-N 3.22Å; K324-M327 VanDerWaalsContact O-N 3.17Å; R325-M327 PolarHBondContact O-N 3.06Å; M327-Y331 WeakPolarHBondContact O-CD2 3.22Å |
| 328 | E | 47 | Very low | 48 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -88.1 | -42.2 | 179.4 | -66.2 | -175.7 | 139.5 | 0 | 0 | 111.8 | R325 G330 | R325-E328 PolarHBondContact O-N 3.05Å; E328-G330 PolarHBondContact O-N 3.49Å |
| 329 | D | 44.3 | Very low | 46 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.6 | -18.7 | 174.2 | -79 | -39.1 | 0 | 0 | 0 | 113.4 | R325 | R325-D329 PolarHBondContact O-N 2.81Å |
| 330 | G | 41.3 | Very low | 44.6 | Very low | 37 Ų | 37 | 136.7 Ų | 136.7 | 38% | 0.381 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -69.9 | -29.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R326 E328 I332 | R326-G330 PolarHBondContact O-N 3.35Å; E328-G330 PolarHBondContact O-N 3.49Å; G330-I332 VanDerWaalsContact C-N 3.27Å; G330-I332 PolarHBondContact O-N 2.92Å |
| 331 | Y | 43.8 | Very low | 43.5 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -82.5 | 7.1 | -171.4 | -85.6 | -85.2 | 0 | 0 | 0 | 115.4 | M327 | M327-Y331 WeakPolarHBondContact O-CD2 3.22Š|
| 332 | I | 47.2 | Very low | 42.8 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -116.3 | -2.4 | -173.7 | -61.7 | 179.8 | 0 | 0 | 0 | 112.7 | G330 | G330-I332 VanDerWaalsContact C-N 3.27Å; G330-I332 PolarHBondContact O-N 2.92Å |
| 333 | R | 42.6 | Very low | 41.8 | Very low | 222 Ų | 222 | 152.1 Ų | 152.1 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -140.7 | 55.3 | -177.3 | -57.5 | -167.9 | -163.2 | -165.4 | 6.9 | 115.6 | ||||
| 334 | D | 36.9 | Very low | 40.9 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -121.3 | 67.9 | 167.9 | -93.7 | -40.3 | 0 | 0 | 0 | 111.6 | ||||
| 335 | I | 42.1 | Very low | 40 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | -132.8 | 134.5 | 158.6 | -65 | -176.5 | 0 | 0 | 0 | 107.5 | ||||
| 336 | E | 41.8 | Very low | 39.2 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 75.1 | 115.2 | 173.6 | -80 | 172.3 | -141.8 | 0 | 0 | 119.7 | ||
| 337 | N | 40.2 | Very low | 38.6 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 89.3 | 64.4 | 144.8 | -53.5 | -30.3 | 0 | 0 | 0 | 120.7 | ||||
| 338 | S | 33.9 | Very low | 38 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | 30.2 | 152.6 | 108.9 | -88.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 339 | P | 38.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -132.5 | 169.8 | -126.6 | 42.8 | -29.1 | 0 | 0 | 0 | 116.5 | |||||
| 340 | T | 39.1 | Very low | 36.9 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -156.6 | 123.3 | 160.4 | 35.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 341 | F | 37.3 | Very low | 36.7 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 63 | 158.5 | 142.9 | -74.7 | -120.2 | 0 | 0 | 0 | 120.2 | ||||
| 342 | R | 34.7 | Very low | 36.5 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | cis | -169.3 | 133.3 | -33.7 | -171.2 | 179.8 | -166.2 | -167.1 | 8 | 109 | ||||
| 343 | N | 30.7 | Very low | 36 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | 26.5 | 123.3 | 162.8 | -58.7 | 9.9 | 0 | 0 | 0 | 120.9 | ||||
| 344 | G | 31.2 | Very low | 35.7 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -159.2 | 89 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 345 | L | 30.6 | Very low | 35.5 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -90.6 | 120.6 | 172.9 | -82.1 | 159.8 | 0 | 0 | 0 | 110.5 | ||||
| 346 | T | 32 | Very low | 35.1 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -160 | 154.7 | 150.4 | 17.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 347 | N | 29.2 | Very low | 34.7 | Very low | 169 Ų | 169 | 139 Ų | 139 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 147.6 | -177.7 | -52 | -36 | 0 | 0 | 0 | 112.3 | ||||
| 348 | S | 33.1 | Very low | 34.7 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -142.8 | 128.1 | 155 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | H350 | S348-H350 PolarHBondContact O-N 3.13Š| ||
| 349 | A | 31.2 | Very low | 34.7 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -87.4 | 106.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I351 | A349-I351 PolarHBondContact O-N 3.38Š| ||
| 350 | H | 37.4 | Very low | 34.9 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -79.6 | 104.8 | -178.9 | -96.9 | -79.6 | 0 | 0 | 0 | 112.5 | S348 | S348-H350 PolarHBondContact O-N 3.13Š| ||
| 351 | I | 37 | Very low | 35.1 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.6 | 163.7 | -59.4 | 166.1 | 0 | 0 | 0 | 107.9 | A349 | A349-I351 PolarHBondContact O-N 3.38Š|
| 352 | P | 40.8 | Very low | 34.9 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.6 | 173.7 | 29.4 | -34.2 | 0 | 0 | 0 | 110.7 | M354 | P352-M354 PolarHBondContact O-N 3.23Š|
| 353 | P | 36.4 | Very low | 35.2 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 119.1 | -171.6 | 27.3 | -34.5 | 0 | 0 | 0 | 112 | ||
| 354 | M | 34.9 | Very low | 35.5 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -84.6 | 112 | 174.5 | -169.6 | 175.2 | -173.7 | 0 | 0 | 110 | P352 S356 | P352-M354 PolarHBondContact O-N 3.23Å; M354-S356 PolarHBondContact O-N 3.2Å; M354-S356 VanDerWaalsContact O-N 3.15Å | ||
| 355 | I | 33.9 | Very low | 36.2 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -73.8 | 104.8 | 174.9 | -59.6 | 176.4 | 0 | 0 | 0 | 108.5 | I357 | I355-I357 HydrophobicContact CG2-CG1 4.31Š| ||
| 356 | S | 33.2 | Very low | 36.3 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | trans | -86 | 116.2 | 173.5 | -174 | 0 | 0 | 0 | 0 | 110 | M354 | M354-S356 PolarHBondContact O-N 3.2Å; M354-S356 VanDerWaalsContact O-N 3.15Å | ||
| 357 | I | 34 | Very low | 36.7 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -98.2 | 104.9 | 172.5 | -57.3 | 175 | 0 | 0 | 0 | 107.5 | I355 | I355-I357 HydrophobicContact CG2-CG1 4.31Š| ||
| 358 | N | 39.2 | Very low | 37.2 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -117 | 146.7 | 168.5 | -80.6 | -26 | 0 | 0 | 0 | 110 | ||||
| 359 | S | 35.3 | Very low | 37.3 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -137.6 | 172.8 | -173.7 | -153.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 360 | P | 42.3 | Very low | 37.9 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | -121.3 | 147.1 | -79.7 | 35.9 | -23.6 | 0 | 0 | 0 | 111.6 | |||||
| 361 | E | 43.3 | Very low | 37.9 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -124.5 | 147.4 | 165.8 | -71.9 | -155.7 | 142.7 | 0 | 0 | 112.2 | ||||
| 362 | D | 32.1 | Very low | 38.1 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -107.9 | 127.9 | -166.1 | 166.7 | 39.5 | 0 | 0 | 0 | 111.3 | ||||
| 363 | K | 41.6 | Very low | 38 | Very low | 173 Ų | 173 | 153.6 Ų | 153.6 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | 178.3 | 119.3 | 137.6 | -94.7 | 141.9 | -151.3 | 145.2 | 0 | 114.5 | ||||
| 364 | T | 36.6 | Very low | 38 | Very low | 131 Ų | 131 | 157.5 Ų | 157.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 33.1 | 94.5 | 136.2 | 61.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 365 | S | 45.5 | Very low | 38.2 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -155.9 | 167.1 | 135.7 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 366 | R | 33.7 | Very low | 38.3 | Very low | 242 Ų | 242 | 154.7 Ų | 154.7 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -138 | 104.2 | -156 | 177.7 | -166.6 | -176.9 | -168.4 | 2.7 | 111.6 | ||||
| 367 | T | 40.9 | Very low | 38.3 | Very low | 121 Ų | 121 | 156 Ų | 156 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -141.8 | 110.7 | 175.2 | -25.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 368 | E | 39.3 | Very low | 38.5 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | 42 | 98.7 | 146.8 | -57.5 | -175.6 | 145.5 | 0 | 0 | 120.2 | ||||
| 369 | Y | 35.2 | Very low | 38.4 | Very low | 234 Ų | 234 | 153.4 Ų | 153.4 | 92% | 0.918 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 124 | 156.9 | -86.9 | -100.8 | 0 | 0 | 0 | 110.9 | ||
| 370 | T | 44.4 | Very low | 38.3 | Very low | 133 Ų | 133 | 153 Ų | 153 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 135.2 | 160 | 11.8 | 0 | 0 | 0 | 0 | 110 | ||
| 371 | P | 37.1 | Very low | 38 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 135.2 | -174.2 | 29.1 | -34.4 | 0 | 0 | 0 | 112.6 | ||
| 372 | R | 40.4 | Very low | 37.8 | Very low | 236 Ų | 236 | 150.2 Ų | 150.2 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59 | 141 | 166.1 | -99 | -176.2 | 174.3 | 178.2 | -1.4 | 110.4 | K374 | R372-K374 PolarHBondContact O-N 2.87Š|
| 373 | P | 39 | Very low | 38.1 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.7 | 167 | -23.2 | 34 | 0 | 0 | 0 | 111.1 | L375 | P373-L375 PolarHBondContact O-N 3.15Š|
| 374 | K | 36 | Very low | 38.4 | Very low | 209 Ų | 209 | 150 Ų | 150 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -77.1 | 111.1 | 171.7 | -67.3 | -179.7 | 179.3 | 179.4 | 0 | 108.8 | R372 S376 | R372-K374 PolarHBondContact O-N 2.87Å; K374-S376 PolarHBondContact O-N 3.23Å | ||
| 375 | L | 38.6 | Very low | 38.6 | Very low | 177 Ų | 177 | 150 Ų | 150 | 93% | 0.927 | 81% | 0.806 | S | S | * | * | trans | -70 | 126.1 | 165.2 | -85.7 | 161.2 | 0 | 0 | 0 | 109.1 | P373 | P373-L375 PolarHBondContact O-N 3.15Š| ||
| 376 | S | 36.6 | Very low | 38.6 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -71.8 | 136.8 | -180 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | K374 T378 | K374-S376 PolarHBondContact O-N 3.23Å; S376-T378 VanDerWaalsContact C-N 3.3Å; S376-T378 PolarHBondContact O-N 3.42Å | ||
| 377 | S | 34.5 | Very low | 39 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -82.5 | 68.2 | -177.7 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 378 | T | 36.2 | Very low | 39.3 | Very low | 105 Ų | 105 | 144 Ų | 144 | 64% | 0.644 | 79% | 0.789 | S | S | * | * | trans | -145.5 | 136.7 | 171 | 44.7 | 0 | 0 | 0 | 0 | 109.4 | S376 | S376-T378 VanDerWaalsContact C-N 3.3Å; S376-T378 PolarHBondContact O-N 3.42Å | ||
| 379 | N | 37.8 | Very low | 40.1 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 81.2 | 103.3 | -172.3 | -54.6 | 1.4 | 0 | 0 | 0 | 114.5 | E381 | N379-E381 HydrophobicContact CB-CG 4.41Å; N379-E381 PolarHBondContact O-N 3.2Å | ||
| 380 | A | 33.6 | Very low | 40.9 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -88.2 | 81.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V382 | A380-V382 PolarHBondContact O-N 3.49Å; A380-V382 VanDerWaalsContact O-N 3.17Å | ||
| 381 | E | 35.6 | Very low | 41.2 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | trans | -75.8 | 102.1 | 176.7 | -72.4 | -178.7 | -177 | 0 | 0 | 110.6 | N379 F383 | N379-E381 HydrophobicContact CB-CG 4.41Å; N379-E381 PolarHBondContact O-N 3.2Å; E381-F383 PolarHBondContact O-N 3.24Å | ||
| 382 | V | 38.3 | Very low | 41.8 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -74.5 | 102.9 | 173 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | A380 T384 | A380-V382 PolarHBondContact O-N 3.49Å; A380-V382 VanDerWaalsContact O-N 3.17Å; V382-T384 HydrophobicContact CG1-CG2 4.2Å; V382-T384 PolarHBondContact O-N 3.17Å | ||
| 383 | F | 38.9 | Very low | 42.3 | Very low | 186 Ų | 186 | 138 Ų | 138 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 93.7 | 173.7 | -78.4 | -90.6 | 0 | 0 | 0 | 111 | E381 | E381-F383 PolarHBondContact O-N 3.24Š| ||
| 384 | T | 47.7 | Very low | 42.8 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -86.8 | 119.9 | 168.4 | 49.8 | 0 | 0 | 0 | 0 | 110 | V382 A386 | V382-T384 HydrophobicContact CG1-CG2 4.2Å; V382-T384 PolarHBondContact O-N 3.17Å; T384-A386 PolarHBondContact O-N 3.19Å | ||
| 385 | S | 41.7 | Very low | 43.8 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -76.9 | 62.1 | -174.4 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 386 | A | 44.3 | Very low | 44.2 | Very low | 62 Ų | 62 | 135.3 Ų | 135.3 | 51% | 0.512 | 77% | 0.771 | S | S | . | * | trans | -143.1 | 58.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | T384 F388 | T384-A386 PolarHBondContact O-N 3.19Å; A386-F388 HydrophobicContact CB-CD2 4.28Å; A386-F388 HydrophobicContact CB-CE2 4.44Å; A386-F388 PolarHBondContact O-N 3.15Å | ||
| 387 | S | 42.6 | Very low | 44.9 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -76 | 55.2 | 177.1 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | K389 | S387-K389 PolarHBondContact O-N 2.98Š| ||
| 388 | F | 47.7 | Very low | 45.4 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 75% | 0.746 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 119.6 | 166 | -70.6 | -83.8 | 0 | 0 | 0 | 109.6 | A386 P390 | A386-F388 HydrophobicContact CB-CD2 4.28Å; A386-F388 HydrophobicContact CB-CE2 4.44Å; A386-F388 PolarHBondContact O-N 3.15Å; F388-P390 WeakPolarHBondContact O-CD 3.29Å |
| 389 | K | 55 | Low | 45.8 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 122.7 | 159.8 | -84 | -175.1 | 173.4 | -179.1 | 0 | 107.8 | S387 E391 | S387-K389 PolarHBondContact O-N 2.98Å; K389-E391 PolarHBondContact O-N 2.73Å |
| 390 | P | 52.7 | Low | 46.3 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.3 | 166.9 | 28.4 | -32 | 0 | 0 | 0 | 108.9 | F388 | F388-P390 WeakPolarHBondContact O-CD 3.29Š|
| 391 | E | 50 | Low | 46.6 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 135.4 | 166.1 | -173.2 | 167.9 | -164.4 | 0 | 0 | 108.7 | K389 V393 | K389-E391 PolarHBondContact O-N 2.73Å; E391-V393 PolarHBondContact O-N 3.13Å; E391-V393 VanDerWaalsContact O-N 3.08Å |
| 392 | I | 50.7 | Low | 47.1 | Very low | 160 Ų | 160 | 142 Ų | 142 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -79.7 | 97.5 | -175.6 | -58.4 | 174.6 | 0 | 0 | 0 | 108.7 | ||||
| 393 | V | 50.2 | Low | 47.2 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -83.8 | 125.4 | 167 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | E391 E395 | E391-V393 PolarHBondContact O-N 3.13Å; E391-V393 VanDerWaalsContact O-N 3.08Å; V393-E395 PolarHBondContact O-N 3.33Å | ||
| 394 | S | 49.8 | Very low | 47.3 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -74 | 108.8 | 173.8 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | D396 | S394-D396 PolarHBondContact O-N 2.99Š| ||
| 395 | E | 56.8 | Low | 46.9 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -76.3 | 109.8 | 167.7 | -67.3 | -170.9 | 155.4 | 0 | 0 | 109.9 | V393 | V393-E395 PolarHBondContact O-N 3.33Š| ||
| 396 | D | 46.5 | Very low | 46.9 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -135.9 | 63.9 | 176.5 | -158.9 | 9.8 | 0 | 0 | 0 | 110 | S394 | S394-D396 PolarHBondContact O-N 2.99Š| ||
| 397 | I | 52.8 | Low | 47 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -132 | 117.5 | 174.3 | -58.4 | -179 | 0 | 0 | 0 | 108.4 | ||||
| 398 | T | 45.2 | Very low | 47.2 | Very low | 116 Ų | 116 | 153.7 Ų | 153.7 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 144.8 | 179 | 41.5 | 0 | 0 | 0 | 0 | 112.3 | V400 | T398-V400 PolarHBondContact O-N 3.49Š|
| 399 | P | 43.1 | Very low | 47.1 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 122.4 | 178.4 | 29.1 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 400 | V | 48.2 | Very low | 46.8 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 135.2 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | T398 | T398-V400 PolarHBondContact O-N 3.49Š|
| 401 | S | 41.2 | Very low | 46.4 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 121 | 178.6 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 402 | E | 46.7 | Very low | 46.2 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -113.5 | 116.3 | 170.2 | -69.5 | -159.8 | 138.9 | 0 | 0 | 111.5 | ||||
| 403 | N | 38.9 | Very low | 45.9 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -99.4 | 121.1 | 169.9 | -97.4 | -55.3 | 0 | 0 | 0 | 109.5 | ||||
| 404 | S | 42.3 | Very low | 45.6 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -156.4 | 159.3 | 154.8 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 405 | R | 38.1 | Very low | 45.4 | Very low | 251 Ų | 251 | 146.4 Ų | 146.4 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | -125.5 | 146 | -161.2 | -63.1 | 172.8 | 174 | 167.8 | -4.5 | 113.6 | ||||
| 406 | S | 43.1 | Very low | 45.1 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -169.1 | 140.2 | 157.8 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 407 | S | 45.2 | Very low | 45.4 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | cis | -154.3 | -168.7 | -19.4 | 59.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 408 | R | 47.7 | Very low | 45.2 | Very low | 235 Ų | 235 | 141.8 Ų | 141.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | cis | -154.2 | 165.7 | 12.5 | -136.4 | 166.3 | 179.6 | 178.5 | 0.4 | 107.5 | ||||
| 409 | P | 45.4 | Very low | 45.6 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -107.7 | 174.9 | -163.2 | 41.1 | -33.9 | 0 | 0 | 0 | 114.7 | ||||
| 410 | D | 47.9 | Very low | 46 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | -154.4 | 138.6 | 153.6 | -154.9 | 3.3 | 0 | 0 | 0 | 111.6 | ||||
| 411 | K | 45.6 | Very low | 45.8 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | trans | 46.3 | 137.5 | 161.3 | -73.9 | 155.1 | -165.6 | 114.8 | 0 | 120.5 | ||||
| 412 | M | 45.3 | Very low | 45.9 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | cis | -143.4 | -162 | -2.8 | -78.6 | 131.5 | 160.2 | 0 | 0 | 107 | ||||
| 413 | T | 44.8 | Very low | 45.8 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | cis | -161.2 | 153 | 8.6 | -27.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 414 | G | 42.8 | Very low | 46.1 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 83.1 | 121.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 415 | P | 46.3 | Very low | 46.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -119.8 | 162.1 | 176.4 | 40.7 | -30.7 | 0 | 0 | 0 | 115.3 | ||||
| 416 | A | 50.5 | Low | 46.8 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | -164.1 | 130 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 417 | E | 52.8 | Low | 46.8 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | 43.1 | 139.3 | 125.4 | -72.5 | 156.7 | -151.9 | 0 | 0 | 121.2 | |||||
| 418 | D | 48.3 | Very low | 46.8 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | cis | -169.2 | 177.5 | -0.1 | -146.3 | -14.6 | 0 | 0 | 0 | 114.9 | ||||
| 419 | V | 54.3 | Low | 46.7 | Very low | 102 Ų | 102 | 122 Ų | 122 | 62% | 0.618 | 75% | 0.753 | S | S | * | * | trans | 74.8 | 110.6 | 148.9 | 170.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 420 | N | 50.9 | Low | 46.5 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | 41.7 | 165.6 | 125.7 | -57.8 | -27.7 | 0 | 0 | 0 | 124.4 | |||||
| 421 | N | 44.4 | Very low | 46.2 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | cis | -171.8 | 159.9 | -29.5 | -94.3 | -23.9 | 0 | 0 | 0 | 111.1 | ||||
| 422 | G | 43.2 | Very low | 45.9 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 131.2 | 122.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 423 | A | 43.7 | Very low | 45.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | 78.1 | 129.9 | 55.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 424 | S | 45.7 | Very low | 45.4 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | cis | -155.7 | 150 | 12.7 | -44.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 425 | A | 45.6 | Very low | 45.2 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 46.3 | 147.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 426 | S | 48.5 | Very low | 44.8 | Very low | 121 Ų | 121 | 127 Ų | 127 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | 71.6 | 152.5 | 153.1 | 67.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 427 | D | 44.4 | Very low | 44.3 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | cis | -161 | 157.3 | -32.5 | -169.4 | 31.1 | 0 | 0 | 0 | 112.2 | ||||
| 428 | N | 45.1 | Very low | 43.8 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | 36.2 | 124.1 | 156.2 | -84.6 | -48.6 | 0 | 0 | 0 | 125.8 | ||||
| 429 | T | 44.3 | Very low | 43.3 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | 91.3 | 124 | 128.7 | 60.1 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 430 | N | 41.9 | Very low | 42.8 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | 85.5 | 123 | 129.6 | -84.9 | -50.1 | 0 | 0 | 0 | 125.4 | |||||
| 431 | K | 41.3 | Very low | 42.3 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 80.7 | 106.9 | 134.8 | -73.5 | 175.1 | -178.5 | 171.8 | 0 | 123.6 | ||||
| 432 | K | 39.5 | Very low | 42.2 | Very low | 178 Ų | 178 | 139 Ų | 139 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | 76.9 | 155.4 | 125 | -78.4 | -166.5 | 168.4 | -167.9 | 0 | 121.6 | |||||
| 433 | H | 40.1 | Very low | 42.2 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 73 | 149.3 | 168.1 | -73.7 | -80.3 | 0 | 0 | 0 | 117.3 | ||||
| 434 | S | 39.4 | Very low | 41.9 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | cis | -176 | 168.8 | -39.6 | 43.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 435 | S | 39.6 | Very low | 41.9 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 75 | 157.1 | 169.6 | 100.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 436 | E | 38 | Very low | 41.6 | Very low | 173 Ų | 173 | 153.6 Ų | 153.6 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | cis | -166.9 | -171.7 | -15 | -126.4 | 179.3 | 149.8 | 0 | 0 | 112.6 | ||||
| 437 | L | 39.1 | Very low | 41.1 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 99.9 | 152.2 | 148 | -87.2 | 164.4 | 0 | 0 | 0 | 123.5 | ||||
| 438 | H | 42.1 | Very low | 40.5 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | 62.3 | 104.9 | -179.9 | -63.2 | -58.1 | 0 | 0 | 0 | 118 | ||||
| 439 | E | 38.9 | Very low | 40.2 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | cis | 68 | 113.4 | 49.8 | -73.7 | -125.9 | 103.7 | 0 | 0 | 117 | K441 | E439-K441 WeakPolarHBondContact OE1-CE 3.41Å; E439-K441 IonicContact OE1-NZ 3.86Å; E439-K441 PolarHBondContact OE1-NZ 3.36Å; E439-K441 IonicContact OE2-NZ 3.39Å; E439-K441 PolarHBondContact OE2-NZ 3.42Å | ||
| 440 | R | 43.9 | Very low | 39.8 | Very low | 256 Ų | 256 | 153.5 Ų | 153.5 | 97% | 0.966 | 76% | 0.757 | S | S | * | * | -156.5 | 154.7 | 121 | -105.7 | 164.2 | -170.7 | -171.5 | 2.4 | 110.8 | |||||
| 441 | K | 38.9 | Very low | 39.6 | Very low | 147 Ų | 147 | 155.9 Ų | 155.9 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | -112.7 | 163.8 | -172.6 | -54.9 | 176.6 | 175.5 | 78.2 | 0 | 110.3 | E439 | E439-K441 WeakPolarHBondContact OE1-CE 3.41Å; E439-K441 IonicContact OE1-NZ 3.86Å; E439-K441 PolarHBondContact OE1-NZ 3.36Å; E439-K441 IonicContact OE2-NZ 3.39Å; E439-K441 PolarHBondContact OE2-NZ 3.42Å | ||
| 442 | Y | 43.8 | Very low | 39.2 | Very low | 217 Ų | 217 | 158.8 Ų | 158.8 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | -173.1 | 111.5 | 124.8 | -102.9 | -66 | 0 | 0 | 0 | 115.3 | |||||
| 443 | N | 42.7 | Very low | 39.4 | Very low | 147 Ų | 147 | 156.6 Ų | 156.6 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 57.5 | 157.2 | 145.1 | -67.8 | 0.7 | 0 | 0 | 0 | 125.4 | ||||
| 444 | K | 38.1 | Very low | 39.1 | Very low | 190 Ų | 190 | 158.3 Ų | 158.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -124.3 | 145.7 | -175 | -67.8 | 170.6 | 173.6 | 170.4 | 0 | 112.2 | ||||
| 445 | L | 44.9 | Very low | 39.3 | Very low | 164 Ų | 164 | 159 Ų | 159 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -142.5 | 136.8 | 134 | -71.2 | 179.8 | 0 | 0 | 0 | 106.6 | ||||
| 446 | K | 39.6 | Very low | 39.2 | Very low | 181 Ų | 181 | 160.4 Ų | 160.4 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | cis | 81.8 | 60 | 4.5 | -153.2 | -113.7 | 163.9 | -170.2 | 0 | 118.2 | ||||
| 447 | I | 37.2 | Very low | 39.3 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -112 | 145.1 | 143.3 | -65.2 | 176.1 | 0 | 0 | 0 | 107.5 | ||||
| 448 | G | 32.8 | Very low | 39.3 | Very low | 69 Ų | 69 | 158.7 Ų | 158.7 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -150 | 141.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 449 | V | 37.7 | Very low | 39.2 | Very low | 117 Ų | 117 | 163 Ų | 163 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | -134.6 | 122.6 | 178.1 | 179 | 0 | 0 | 0 | 0 | 107.2 | F451 | V449-F451 HydrophobicContact CG1-CD2 3.53Å; V449-F451 HydrophobicContact CG1-CE2 3.48Å; V449-F451 VanDerWaalsContact CG1-CE2 3.48Å | ||
| 450 | D | 36.5 | Very low | 39.3 | Very low | 137 Ų | 137 | 165.5 Ų | 165.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -119.5 | 125.3 | -177.2 | -164.2 | -11.1 | 0 | 0 | 0 | 107.9 | ||||
| 451 | F | 37.3 | Very low | 39.2 | Very low | 180 Ų | 180 | 161.5 Ų | 161.5 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | -138.1 | 81.3 | 179.9 | -84.5 | -60.9 | 0 | 0 | 0 | 111.4 | V449 | V449-F451 HydrophobicContact CG1-CD2 3.53Å; V449-F451 HydrophobicContact CG1-CE2 3.48Å; V449-F451 VanDerWaalsContact CG1-CE2 3.48Å | ||
| 452 | R | 33.6 | Very low | 39.2 | Very low | 234 Ų | 234 | 160.3 Ų | 160.3 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -90.5 | 109 | 160.6 | -78.7 | -178.7 | 163.8 | -164.9 | -1.4 | 110.6 | ||||
| 453 | T | 42.2 | Very low | 39 | Very low | 133 Ų | 133 | 156.7 Ų | 156.7 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -137.9 | 132.5 | 162.7 | 42.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 454 | K | 35.7 | Very low | 38.8 | Very low | 198 Ų | 198 | 155.6 Ų | 155.6 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -146.1 | 165.1 | 168.9 | -79.3 | -170.8 | 177.8 | -175.9 | 0 | 105.9 | ||||
| 455 | P | 41.9 | Very low | 38.7 | Very low | 104 Ų | 104 | 156.7 Ų | 156.7 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -127.3 | -140.8 | -40.1 | 31.8 | -9.8 | 0 | 0 | 0 | 108.9 | ||||
| 456 | N | 37.9 | Very low | 38.6 | Very low | 133 Ų | 133 | 157 Ų | 157 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 72.8 | 147.6 | 171.9 | -67.6 | 41 | 0 | 0 | 0 | 115.3 | ||||
| 457 | D | 39.6 | Very low | 38.5 | Very low | 112 Ų | 112 | 153.8 Ų | 153.8 | 60% | 0.599 | 77% | 0.769 | S | S | * | * | cis | -156.6 | 173.9 | -4.7 | -132.5 | -43.9 | 0 | 0 | 0 | 114.8 | ||||
| 458 | H | 40.7 | Very low | 38.6 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | 60.8 | 109.5 | 151.1 | -66.4 | 9.2 | 0 | 0 | 0 | 121.6 | ||||
| 459 | R | 40.2 | Very low | 39.3 | Very low | 253 Ų | 253 | 156.8 Ų | 156.8 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | -159.3 | 158 | 115.6 | -118.1 | 174.1 | 176 | 159.1 | -0.1 | 112.5 | |||||
| 460 | K | 39.9 | Very low | 39.4 | Very low | 180 Ų | 180 | 159.4 Ų | 159.4 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -137.2 | 169.5 | -175.3 | -75.2 | -176.4 | 176.4 | 178 | 0 | 111.4 | ||||
| 461 | H | 41.4 | Very low | 39.8 | Very low | 172 Ų | 172 | 158.5 Ų | 158.5 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 74.1 | 145.5 | 174.6 | -50.7 | -85.4 | 0 | 0 | 0 | 113.8 | ||||
| 462 | T | 39.3 | Very low | 40 | Very low | 123 Ų | 123 | 158.2 Ų | 158.2 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -142.5 | 138.6 | 16.7 | -46 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 463 | L | 39.8 | Very low | 40.5 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 39 | 143.4 | 92.4 | -107.1 | 76.6 | 0 | 0 | 0 | 115.3 | |||||
| 464 | E | 39.1 | Very low | 40.9 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 58% | 0.579 | 77% | 0.769 | S | S | * | * | cis | -163.8 | 172.2 | 5.3 | -161.4 | -177.2 | -114.3 | 0 | 0 | 110.2 | ||||
| 465 | R | 36.5 | Very low | 41.1 | Very low | 212 Ų | 212 | 151 Ų | 151 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 77 | 152.9 | 164.7 | -56.2 | 175.9 | -165.5 | -166 | -1.8 | 116.2 | ||||
| 466 | L | 41.6 | Very low | 41.7 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | cis | -118.3 | 159.6 | 12.3 | -75.5 | 160.5 | 0 | 0 | 0 | 113.7 | ||||
| 467 | S | 38.5 | Very low | 42.4 | Very low | 112 Ų | 112 | 155.2 Ų | 155.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -121.6 | 149.8 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 468 | A | 39.3 | Very low | 43.1 | Very low | 95 Ų | 95 | 163.3 Ų | 163.3 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -2.2 | 133 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 469 | H | 47 | Very low | 43.2 | Very low | 200 Ų | 200 | 163.5 Ų | 163.5 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | trans | -112.6 | 130.2 | 147.3 | -115.1 | -74 | 0 | 0 | 0 | 109.8 | ||||
| 470 | H | 38.8 | Very low | 43.3 | Very low | 172 Ų | 172 | 158.7 Ų | 158.7 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -135.8 | 136.6 | 175.6 | 175.9 | 59.2 | 0 | 0 | 0 | 107 | ||||
| 471 | V | 46.7 | Very low | 43.5 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 71% | 0.709 | 81% | 0.814 | S | S | * | * | trans | -178.4 | 129.7 | 158.3 | 134.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 472 | K | 41.5 | Very low | 43.7 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | trans | 39 | 109.4 | 146.3 | -58.2 | 180 | -178.7 | 179.9 | 0 | 118.6 | ||||
| 473 | S | 42.7 | Very low | 43.9 | Very low | 96 Ų | 96 | 158.8 Ų | 158.8 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | 81.2 | 128.2 | 66.3 | 76.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 474 | N | 50.3 | Low | 44.2 | Very low | 155 Ų | 155 | 160 Ų | 160 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | -175.4 | 139.1 | 120.2 | -88.8 | -4.8 | 0 | 0 | 0 | 111 | |||||
| 475 | N | 40.5 | Very low | 44.6 | Very low | 162 Ų | 162 | 162.6 Ų | 162.6 | 87% | 0.866 | 84% | 0.842 | S | S | * | * | trans | -87.9 | 143.2 | 161.5 | -64.4 | -10.6 | 0 | 0 | 0 | 108.8 | ||||
| 476 | T | 55.4 | Low | 45.2 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | trans | -166.4 | 152.5 | 133.9 | 16.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 477 | E | 51.9 | Low | 45.5 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | trans | -81.7 | 133.7 | -179 | -57.7 | 137.6 | 110.5 | 0 | 0 | 112.5 | ||||
| 478 | K | 53.5 | Low | 46.1 | Very low | 282 Ų | 282 | 161.8 Ų | 161.8 | 100% | 1.226 | 85% | 0.845 | S | S | * | * | -171.3 | 0 | 128 | -107.3 | 173.9 | -178 | -179.9 | 0 | 112.3 |
Retrieved 478 of 478 residues in 80.7 ms
(Link to these results)