| 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 | 39.8 | Very low | 73.1 | Confident | 240 Ų | 240 | 83.5 Ų | 83.5 | 100% | 1.182 | 49% | 0.491 | S | S | * | . | 0 | 110.2 | 0 | -68 | 171.8 | 70.5 | 0 | 0 | 108 | S3 | M1-S3 PolarHBondContact O-N 3.32Š| |||
| 2 | L | 49.1 | Very low | 75.1 | Confident | 148 Ų | 148 | 90.9 Ų | 90.9 | 78% | 0.775 | 50% | 0.504 | S | S | * | . | trans | -77.4 | 104.8 | 171.1 | -70 | 163.6 | 0 | 0 | 0 | 106.1 | A4 | L2-A4 PolarHBondContact O-N 3.04Š| ||
| 3 | S | 47.8 | Very low | 76.7 | Confident | 108 Ų | 108 | 92.9 Ų | 92.9 | 76% | 0.755 | 51% | 0.505 | S | S | * | . | trans | -54.3 | 129.8 | 164.8 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | M1 G5 | M1-S3 PolarHBondContact O-N 3.32Å; S3-G5 PolarHBondContact O-N 3.27Å | ||
| 4 | A | 53.8 | Low | 78.2 | Confident | 100 Ų | 100 | 86.3 Ų | 86.3 | 83% | 0.826 | 47% | 0.469 | S | S | * | . | trans | -68.1 | 63.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L2 | L2-A4 PolarHBondContact O-N 3.04Š| ||
| 5 | G | 62.5 | Low | 79.5 | Confident | 17 Ų | 17 | 85.7 Ų | 85.7 | 18% | 0.175 | 46% | 0.462 | C | S | . | . | trans | -75.1 | 127.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S3 Q104 | S3-G5 PolarHBondContact O-N 3.27Å; G5-Q104 PolarHBondContact O-NE2 3.23Å | ||
| 6 | N | 85 | Confident | 80.6 | Confident | 107 Ų | 107 | 82.9 Ų | 82.9 | 57% | 0.572 | 45% | 0.453 | S | S | * | . | trans | -46.2 | 141.2 | 167.6 | 168.4 | -3.7 | 0 | 0 | 0 | 110.7 | Q8 S9 C10 | N6-Q8 PolarHBondContact O-N 2.86Å; N6-Q8 WeakPolarHBondContact OD1-CG 3.28Å; N6-Q8 PolarHBondContact OD1-N 2.97Å; N6-S9 WeakPolarHBondContact O-CB 3.48Å; N6-S9 PolarHBondContact O-N 3.25Å; N6-S9 PolarHBondContact O-OG 2.89Å; N6-C10 PolarHBondContact O-N 3.07Å | ||
| 7 | V | 91.1 | Very high | 81.6 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -39.4 | -42 | 171.7 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | S9 C10 L11 Q104 I107 | V7-S9 VanDerWaalsContact C-N 3.32Å; V7-S9 PolarHBondContact O-N 3.3Å; V7-C10 WeakPolarHBondContact O-CA 3.14Å; V7-C10 WeakPolarHBondContact O-CB 3.46Å; V7-C10 PolarHBondContact O-N 2.76Å; V7-C10 VanDerWaalsContact O-N 3.07Å; V7-L11 HydrophobicContact CG1-CD1 4.15Å; V7-L11 HydrophobicContact CG1-CG 4.33Å; V7-L11 WeakPolarHBondContact O-CG 3.08Å; V7-L11 PolarHBondContact O-N 2.96Å; V7-Q104 HydrophobicContact CG2-CB 3.97Å; V7-I107 HydrophobicContact CG1-CD1 3.78Å |
| 8 | Q | 92.9 | Very high | 82.6 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | 178.7 | -63.8 | -59.1 | -24 | 0 | 0 | 113.4 | N6 C10 L11 R12 | N6-Q8 PolarHBondContact O-N 2.86Å; N6-Q8 WeakPolarHBondContact OD1-CG 3.28Å; N6-Q8 PolarHBondContact OD1-N 2.97Å; Q8-C10 VanDerWaalsContact C-N 3.33Å; Q8-L11 PolarHBondContact O-N 3.3Å; Q8-R12 PolarHBondContact O-N 3.08Å; Q8-R12 VanDerWaalsContact O-N 3.07Å |
| 9 | S | 92.7 | Very high | 83.3 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 175.6 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | N6 V7 K13 | N6-S9 WeakPolarHBondContact O-CB 3.48Å; N6-S9 PolarHBondContact O-N 3.25Å; N6-S9 PolarHBondContact O-OG 2.89Å; V7-S9 VanDerWaalsContact C-N 3.32Å; V7-S9 PolarHBondContact O-N 3.3Å; S9-K13 PolarHBondContact O-N 3.01Å |
| 10 | C | 93.3 | Very high | 84 | Confident | 15 Ų | 15 | 80.9 Ų | 80.9 | 10% | 0.101 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | N6 V7 Q8 K13 L14 I107 | N6-C10 PolarHBondContact O-N 3.07Å; V7-C10 WeakPolarHBondContact O-CA 3.14Å; V7-C10 WeakPolarHBondContact O-CB 3.46Å; V7-C10 PolarHBondContact O-N 2.76Å; V7-C10 VanDerWaalsContact O-N 3.07Å; Q8-C10 VanDerWaalsContact C-N 3.33Å; C10-K13 WeakPolarHBondContact O-CB 3.14Å; C10-K13 PolarHBondContact O-N 3.13Å; C10-L14 PolarHBondContact O-N 3.33Å; C10-I107 HydrophobicContact CB-CB 4.12Å; C10-I107 HydrophobicContact CB-CG2 3.57Å; C10-I107 WeakPolarHBondContact O-CG2 3.42Å |
| 11 | L | 96.5 | Very high | 84.6 | Confident | 8 Ų | 8 | 77.2 Ų | 77.2 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.1 | -72 | 173.7 | 0 | 0 | 0 | 112.1 | V7 Q8 K13 L14 E15 Y29 L32 S33 I107 | V7-L11 HydrophobicContact CG1-CD1 4.15Å; V7-L11 HydrophobicContact CG1-CG 4.33Å; V7-L11 WeakPolarHBondContact O-CG 3.08Å; V7-L11 PolarHBondContact O-N 2.96Å; Q8-L11 PolarHBondContact O-N 3.3Å; L11-K13 PolarHBondContact O-N 3.17Å; L11-L14 WeakPolarHBondContact O-CB 3.35Å; L11-L14 PolarHBondContact O-N 3.01Å; L11-L14 VanDerWaalsContact O-N 3.07Å; L11-E15 WeakPolarHBondContact O-CB 3.26Å; L11-E15 PolarHBondContact O-N 3.38Å; L11-Y29 HydrophobicContact CD2-CD1 4.44Å; L11-L32 HydrophobicContact CD2-CB 3.88Å; L11-L32 HydrophobicContact CD2-CD1 4.2Å; L11-S33 WeakPolarHBondContact CD1-OG 3.44Å; L11-I107 HydrophobicContact CD2-CD1 3.56Å; L11-I107 HydrophobicContact CD2-CG1 4.08Å; L11-I107 HydrophobicContact CG-CD1 3.88Å |
| 12 | R | 96.3 | Very high | 87.4 | Confident | 173 Ų | 173 | 74.1 Ų | 74.1 | 65% | 0.653 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.6 | -37.7 | 175.4 | -71.6 | -164.3 | -64.3 | -117.7 | 4.9 | 112.5 | Q8 A16 | Q8-R12 PolarHBondContact O-N 3.08Å; Q8-R12 VanDerWaalsContact O-N 3.07Å; R12-A16 PolarHBondContact O-N 3.46Å; R12-A16 VanDerWaalsContact O-N 3.12Å |
| 13 | K | 96.4 | Very high | 89.7 | Confident | 117 Ų | 117 | 68.8 Ų | 68.8 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 174.9 | -175.1 | -178.1 | 177.3 | -173.2 | 0 | 111.3 | S9 C10 L11 A16 L17 | S9-K13 PolarHBondContact O-N 3.01Å; C10-K13 WeakPolarHBondContact O-CB 3.14Å; C10-K13 PolarHBondContact O-N 3.13Å; L11-K13 PolarHBondContact O-N 3.17Å; K13-A16 PolarHBondContact O-N 2.96Å; K13-L17 WeakPolarHBondContact O-CG 3.41Å; K13-L17 PolarHBondContact O-N 3.21Å |
| 14 | L | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 176.7 | 178 | 60.2 | 0 | 0 | 0 | 110.9 | C10 L11 A16 L17 L18 L32 I107 I110 I114 | C10-L14 PolarHBondContact O-N 3.33Å; L11-L14 WeakPolarHBondContact O-CB 3.35Å; L11-L14 PolarHBondContact O-N 3.01Å; L11-L14 VanDerWaalsContact O-N 3.07Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 2.84Å; L14-L17 CarbonylContact O-C 3.59Å; L14-L17 WeakPolarHBondContact O-CA 3.32Å; L14-L17 WeakPolarHBondContact O-CB 3.42Å; L14-L17 PolarHBondContact O-N 2.9Å; L14-L18 HydrophobicContact CD1-CD1 4.47Å; L14-L18 HydrophobicContact CD1-CD2 4.32Å; L14-L18 HydrophobicContact CD1-CG 4.17Å; L14-L18 HydrophobicContact CG-CD1 4.13Å; L14-L18 HydrophobicContact CG-CG 4.26Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.38Å; L14-L32 HydrophobicContact CD2-CD1 3.95Å; L14-I107 HydrophobicContact CB-CG2 3.99Å; L14-I107 HydrophobicContact CD2-CG2 4.09Å; L14-I110 HydrophobicContact CD1-CB 4.42Å; L14-I110 HydrophobicContact CD1-CG2 3.76Å; L14-I114 HydrophobicContact CD1-CD1 3.67Å |
| 15 | E | 97.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 66.8 Ų | 66.8 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.7 | -43.8 | 177.7 | -179 | -173.4 | 178.7 | 0 | 0 | 112.4 | L11 L17 L18 R19 Y29 | L11-E15 WeakPolarHBondContact O-CB 3.26Å; L11-E15 PolarHBondContact O-N 3.38Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.27Å; E15-L18 PolarHBondContact O-N 3.08Å; E15-R19 PolarHBondContact O-N 3.27Å; E15-R19 VanDerWaalsContact O-N 3.09Å; E15-Y29 HydrophobicContact CB-CE1 4.49Å |
| 16 | A | 97.9 | Very high | 95.1 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | R12 K13 L14 R19 V20 | R12-A16 PolarHBondContact O-N 3.46Å; R12-A16 VanDerWaalsContact O-N 3.12Å; K13-A16 PolarHBondContact O-N 2.96Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 2.84Å; A16-R19 PolarHBondContact O-N 2.93Å; A16-V20 WeakPolarHBondContact O-CG2 3.4Å; A16-V20 PolarHBondContact O-N 3.33Å |
| 17 | L | 98.1 | Very high | 95.6 | Very high | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.9 | -39 | 177 | -69.9 | 172.5 | 0 | 0 | 0 | 112.5 | K13 L14 E15 R19 V20 I21 C111 I114 L118 | K13-L17 WeakPolarHBondContact O-CG 3.41Å; K13-L17 PolarHBondContact O-N 3.21Å; L14-L17 CarbonylContact O-C 3.59Å; L14-L17 WeakPolarHBondContact O-CA 3.32Å; L14-L17 WeakPolarHBondContact O-CB 3.42Å; L14-L17 PolarHBondContact O-N 2.9Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.27Å; L17-R19 VanDerWaalsContact C-N 3.28Å; L17-R19 PolarHBondContact O-N 3.21Å; L17-V20 WeakPolarHBondContact O-CB 3.4Å; L17-V20 PolarHBondContact O-N 2.8Å; L17-V20 VanDerWaalsContact O-N 3.08Å; L17-I21 PolarHBondContact O-N 3.43Å; L17-C111 HydrophobicContact CD1-CB 3.76Å; L17-I114 HydrophobicContact CB-CD1 4.21Å; L17-I114 HydrophobicContact CB-CG2 3.99Å; L17-I114 HydrophobicContact CD1-CB 4.49Å; L17-I114 HydrophobicContact CD2-CG2 4.44Å; L17-L118 HydrophobicContact CD2-CD1 4.32Å |
| 18 | L | 98 | Very high | 95.9 | Very high | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 176.3 | -67 | -179.3 | 0 | 0 | 0 | 111.7 | L14 E15 I21 K22 Y23 V27 I43 I114 | L14-L18 HydrophobicContact CD1-CD1 4.47Å; L14-L18 HydrophobicContact CD1-CD2 4.32Å; L14-L18 HydrophobicContact CD1-CG 4.17Å; L14-L18 HydrophobicContact CG-CD1 4.13Å; L14-L18 HydrophobicContact CG-CG 4.26Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.38Å; E15-L18 PolarHBondContact O-N 3.08Å; L18-I21 HydrophobicContact CD2-CD1 4.06Å; L18-I21 WeakPolarHBondContact O-CG1 3.48Å; L18-I21 PolarHBondContact O-N 3.17Å; L18-K22 PolarHBondContact O-N 3.09Å; L18-Y23 HydrophobicContact CD2-CG 4.2Å; L18-Y23 PolarHBondContact O-N 3.27Å; L18-V27 HydrophobicContact CD1-CG1 4.2Å; L18-V27 HydrophobicContact CD1-CG2 3.59Å; L18-I43 HydrophobicContact CD1-CD1 4.25Å; L18-I43 HydrophobicContact CD2-CG1 4.44Å; L18-I43 HydrophobicContact CD2-CG2 3.58Å; L18-I114 HydrophobicContact CD2-CD1 3.99Å |
| 19 | R | 97.4 | Very high | 96 | Very high | 173 Ų | 173 | 71.6 Ų | 71.6 | 65% | 0.653 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64 | -40 | 172 | -72.8 | -173.6 | -74.9 | 154.1 | -8.3 | 112.6 | E15 A16 L17 K22 | E15-R19 PolarHBondContact O-N 3.27Å; E15-R19 VanDerWaalsContact O-N 3.09Å; A16-R19 PolarHBondContact O-N 2.93Å; L17-R19 VanDerWaalsContact C-N 3.28Å; L17-R19 PolarHBondContact O-N 3.21Å; R19-K22 PolarHBondContact O-N 2.88Å |
| 20 | V | 97.1 | Very high | 96.2 | Very high | 89 Ų | 89 | 72.8 Ų | 72.8 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | A16 L17 K22 L118 | A16-V20 WeakPolarHBondContact O-CG2 3.4Å; A16-V20 PolarHBondContact O-N 3.33Å; L17-V20 WeakPolarHBondContact O-CB 3.4Å; L17-V20 PolarHBondContact O-N 2.8Å; L17-V20 VanDerWaalsContact O-N 3.08Å; V20-K22 PolarHBondContact O-N 3.23Å; V20-L118 HydrophobicContact CG1-CD1 3.97Å; V20-L118 HydrophobicContact CG1-CD2 3.88Å |
| 21 | I | 96.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.1 | 177.6 | 67.4 | 172.9 | 0 | 0 | 0 | 113.6 | L17 L18 Y23 F46 F51 I114 L118 | L17-I21 PolarHBondContact O-N 3.43Å; L18-I21 HydrophobicContact CD2-CD1 4.06Å; L18-I21 WeakPolarHBondContact O-CG1 3.48Å; L18-I21 PolarHBondContact O-N 3.17Å; I21-Y23 VanDerWaalsContact C-N 3.32Å; I21-Y23 PolarHBondContact O-N 2.99Å; I21-F46 HydrophobicContact CB-CE1 4.38Å; I21-F46 HydrophobicContact CD1-CD1 4.02Å; I21-F46 HydrophobicContact CD1-CE1 3.95Å; I21-F46 HydrophobicContact CG1-CE1 4.09Å; I21-F51 HydrophobicContact CB-CD2 3.49Å; I21-F51 VanDerWaalsContact CB-CD2 3.49Å; I21-F51 HydrophobicContact CB-CE2 3.72Å; I21-F51 HydrophobicContact CB-CG 3.98Å; I21-F51 HydrophobicContact CB-CZ 4.39Å; I21-F51 HydrophobicContact CG2-CD1 4.24Å; I21-F51 HydrophobicContact CG2-CD2 3.87Å; I21-F51 HydrophobicContact CG2-CE1 4.13Å; I21-F51 HydrophobicContact CG2-CE2 3.75Å; I21-F51 HydrophobicContact CG2-CG 4.12Å; I21-F51 HydrophobicContact CG2-CZ 3.91Å; I21-F51 WeakPolarHBondContact O-CD2 3.43Å; I21-I114 HydrophobicContact CD1-CD1 4.29Å; I21-I114 HydrophobicContact CD1-CG1 4.29Å; I21-I114 HydrophobicContact CD1-CG2 4.28Å; I21-I114 HydrophobicContact CG2-CG2 3.65Å; I21-L118 HydrophobicContact CG2-CD1 4.2Å; I21-L118 HydrophobicContact CG2-CD2 4.05Å; I21-L118 HydrophobicContact CG2-CG 4.04Å |
| 22 | K | 97 | Very high | 96.4 | Very high | 176 Ų | 176 | 71.8 Ų | 71.8 | 77% | 0.765 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 49.9 | -177.7 | -58.1 | -179 | 177.3 | -178.1 | 0 | 112.3 | L18 R19 V20 P24 | L18-K22 PolarHBondContact O-N 3.09Å; R19-K22 PolarHBondContact O-N 2.88Å; V20-K22 PolarHBondContact O-N 3.23Å; K22-P24 WeakPolarHBondContact O-CD 3.44Å |
| 23 | Y | 97.5 | Very high | 96.4 | Very high | 35 Ų | 35 | 65.5 Ų | 65.5 | 14% | 0.137 | 34% | 0.342 | C | S | . | . | trans | -58.8 | 122.8 | 177.3 | -174.8 | -106.5 | 0 | 0 | 0 | 110.1 | L18 I21 S25 V27 P42 I43 F46 | L18-Y23 HydrophobicContact CD2-CG 4.2Å; L18-Y23 PolarHBondContact O-N 3.27Å; I21-Y23 VanDerWaalsContact C-N 3.32Å; I21-Y23 PolarHBondContact O-N 2.99Å; Y23-S25 WeakPolarHBondContact CD1-O 3.31Å; Y23-S25 WeakPolarHBondContact CE1-O 3.38Å; Y23-V27 HydrophobicContact CD1-CG2 3.77Å; Y23-V27 HydrophobicContact CE1-CG2 3.77Å; Y23-P42 WeakPolarHBondContact OH-CB 3.28Å; Y23-I43 HydrophobicContact CE1-CG1 4.33Å; Y23-I43 HydrophobicContact CE2-CG1 4.29Å; Y23-F46 HydrophobicContact CD2-CB 3.88Å; Y23-F46 AromaticContact CD2-CD1 3.45Å; Y23-F46 HydrophobicContact CD2-CD1 3.45Å; Y23-F46 VanDerWaalsContact CD2-CD1 3.45Å; Y23-F46 HydrophobicContact CD2-CD2 4.29Å; Y23-F46 HydrophobicContact CD2-CE1 4.02Å; Y23-F46 AromaticContact CD2-CG 3.59Å; Y23-F46 HydrophobicContact CD2-CG 3.59Å; Y23-F46 HydrophobicContact CE2-CB 3.6Å; Y23-F46 HydrophobicContact CE2-CD1 4.11Å; Y23-F46 AromaticContact CE2-CG 3.82Å; Y23-F46 HydrophobicContact CE2-CG 3.82Å; Y23-F46 HydrophobicContact CG-CD1 4.49Å | ||
| 24 | P | 92.9 | Very high | 96.4 | Very high | 95 Ų | 95 | 66 Ų | 66 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | trans | -86.8 | -19.3 | -167.3 | 32.2 | -36.9 | 0 | 0 | 0 | 114.3 | K22 F46 | K22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-F46 HydrophobicContact CG-CD2 4.07Å; P24-F46 HydrophobicContact CG-CE2 3.77Å | ||
| 25 | S | 92.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 66 Ų | 66 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -96.6 | 156.4 | -173.5 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | Y23 | Y23-S25 WeakPolarHBondContact CD1-O 3.31Å; Y23-S25 WeakPolarHBondContact CE1-O 3.38Å |
| 26 | D | 92.9 | Very high | 96.4 | Very high | 166 Ų | 166 | 63.6 Ų | 63.6 | 89% | 0.888 | 33% | 0.333 | S | S | * | . | trans | -64.3 | 142.2 | 171 | -67.1 | -46.8 | 0 | 0 | 0 | 111 | ||||
| 27 | V | 95.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | trans | -104.7 | 121.3 | -175.5 | 179 | 0 | 0 | 0 | 0 | 108.7 | L18 Y23 Y29 L32 I43 | L18-V27 HydrophobicContact CD1-CG1 4.2Å; L18-V27 HydrophobicContact CD1-CG2 3.59Å; Y23-V27 HydrophobicContact CD1-CG2 3.77Å; Y23-V27 HydrophobicContact CE1-CG2 3.77Å; V27-Y29 VanDerWaalsContact C-N 3.33Å; V27-Y29 HydrophobicContact CB-CD2 4.28Å; V27-Y29 HydrophobicContact CB-CE1 4.36Å; V27-Y29 HydrophobicContact CB-CE2 3.76Å; V27-Y29 HydrophobicContact CG1-CD1 4.11Å; V27-Y29 HydrophobicContact CG1-CD2 4.31Å; V27-Y29 HydrophobicContact CG1-CE1 3.84Å; V27-Y29 HydrophobicContact CG1-CE2 4.06Å; V27-Y29 HydrophobicContact CG1-CG 4.34Å; V27-Y29 WeakPolarHBondContact O-CD2 3.49Å; V27-Y29 PolarHBondContact O-N 3.04Å; V27-L32 HydrophobicContact CG1-CD1 3.41Å; V27-L32 VanDerWaalsContact CG1-CD1 3.41Å; V27-L32 HydrophobicContact CG1-CG 4.5Å; V27-I43 HydrophobicContact CG1-CD1 4.25Å | ||
| 28 | D | 96.6 | Very high | 96.3 | Very high | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | trans | -76.6 | 82.6 | 174.2 | 172.2 | 27.4 | 0 | 0 | 0 | 111.2 | S30 G31 L32 S39 | D28-S30 PolarHBondContact O-N 3.39Å; D28-S30 WeakPolarHBondContact OD1-CB 3.25Å; D28-S30 PolarHBondContact OD1-N 3.09Å; D28-S30 VanDerWaalsContact OD1-N 3.14Å; D28-S30 PolarHBondContact OD1-OG 2.98Å; D28-G31 VanDerWaalsContact CG-N 3.35Å; D28-G31 PolarHBondContact O-N 2.83Å; D28-G31 PolarHBondContact OD1-N 3.46Å; D28-G31 VanDerWaalsContact OD2-CA 3.26Å; D28-G31 WeakPolarHBondContact OD2-CA 3.4Å; D28-G31 PolarHBondContact OD2-N 3.11Å; D28-G31 VanDerWaalsContact OD2-N 3.16Å; D28-L32 VanDerWaalsContact O-CG 3.27Å; D28-L32 WeakPolarHBondContact O-CG 3.31Å; D28-L32 PolarHBondContact O-N 3.24Å; D28-S39 PolarHBondContact OD2-OG 3.3Å | ||
| 29 | Y | 96.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 64.8 Ų | 64.8 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -23.8 | 177 | -65.4 | -77 | 0 | 0 | 0 | 113.3 | L11 E15 V27 L32 S33 | L11-Y29 HydrophobicContact CD2-CD1 4.44Å; E15-Y29 HydrophobicContact CB-CE1 4.49Å; V27-Y29 VanDerWaalsContact C-N 3.33Å; V27-Y29 HydrophobicContact CB-CD2 4.28Å; V27-Y29 HydrophobicContact CB-CE1 4.36Å; V27-Y29 HydrophobicContact CB-CE2 3.76Å; V27-Y29 HydrophobicContact CG1-CD1 4.11Å; V27-Y29 HydrophobicContact CG1-CD2 4.31Å; V27-Y29 HydrophobicContact CG1-CE1 3.84Å; V27-Y29 HydrophobicContact CG1-CE2 4.06Å; V27-Y29 HydrophobicContact CG1-CG 4.34Å; V27-Y29 WeakPolarHBondContact O-CD2 3.49Å; V27-Y29 PolarHBondContact O-N 3.04Å; Y29-L32 HydrophobicContact CD1-CD1 4.24Å; Y29-S33 WeakPolarHBondContact O-CB 3.5Å; Y29-S33 PolarHBondContact O-N 3.35Å; Y29-S33 PolarHBondContact O-OG 3Å |
| 30 | S | 96.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.6 | -46.5 | 179.1 | 84.3 | 0 | 0 | 0 | 0 | 111 | D28 S33 K34 | D28-S30 PolarHBondContact O-N 3.39Å; D28-S30 WeakPolarHBondContact OD1-CB 3.25Å; D28-S30 PolarHBondContact OD1-N 3.09Å; D28-S30 VanDerWaalsContact OD1-N 3.14Å; D28-S30 PolarHBondContact OD1-OG 2.98Å; S30-S33 PolarHBondContact O-N 2.95Å; S30-K34 WeakPolarHBondContact O-CG 3.4Å; S30-K34 PolarHBondContact O-N 3.37Å |
| 31 | G | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D28 S33 K34 G35 D36 S39 | D28-G31 VanDerWaalsContact CG-N 3.35Å; D28-G31 PolarHBondContact O-N 2.83Å; D28-G31 PolarHBondContact OD1-N 3.46Å; D28-G31 VanDerWaalsContact OD2-CA 3.26Å; D28-G31 WeakPolarHBondContact OD2-CA 3.4Å; D28-G31 PolarHBondContact OD2-N 3.11Å; D28-G31 VanDerWaalsContact OD2-N 3.16Å; G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 2.79Å; G31-K34 CarbonylContact O-C 3.53Å; G31-K34 PolarHBondContact O-N 2.99Å; G31-K34 VanDerWaalsContact O-N 3.13Å; G31-G35 PolarHBondContact O-N 3.14Å; G31-D36 PolarHBondContact O-N 3.32Å; G31-S39 WeakPolarHBondContact CA-OG 3.37Å |
| 32 | L | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 172.8 | -68.1 | 178 | 0 | 0 | 0 | 112.1 | L11 L14 V27 D28 Y29 K34 G35 F40 I43 S103 | L11-L32 HydrophobicContact CD2-CB 3.88Å; L11-L32 HydrophobicContact CD2-CD1 4.2Å; L14-L32 HydrophobicContact CD2-CD1 3.95Å; V27-L32 HydrophobicContact CG1-CD1 3.41Å; V27-L32 VanDerWaalsContact CG1-CD1 3.41Å; V27-L32 HydrophobicContact CG1-CG 4.5Å; D28-L32 VanDerWaalsContact O-CG 3.27Å; D28-L32 WeakPolarHBondContact O-CG 3.31Å; D28-L32 PolarHBondContact O-N 3.24Å; Y29-L32 HydrophobicContact CD1-CD1 4.24Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.45Å; L32-G35 PolarHBondContact O-N 3.3Å; L32-F40 HydrophobicContact CB-CE1 4.5Å; L32-F40 HydrophobicContact CB-CZ 4.27Å; L32-F40 HydrophobicContact CD2-CD1 3.31Å; L32-F40 HydrophobicContact CD2-CD2 4.05Å; L32-F40 HydrophobicContact CD2-CE1 3.28Å; L32-F40 HydrophobicContact CD2-CE2 3.97Å; L32-F40 HydrophobicContact CD2-CG 3.73Å; L32-F40 HydrophobicContact CD2-CZ 3.61Å; L32-F40 HydrophobicContact CG-CE1 4.45Å; L32-I43 HydrophobicContact CD1-CD1 4.32Å; L32-I43 HydrophobicContact CD2-CD1 4.24Å; L32-S103 WeakPolarHBondContact O-CB 3.44Å |
| 33 | S | 96 | Very high | 96.3 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | L11 Y29 S30 G31 S103 | L11-S33 WeakPolarHBondContact CD1-OG 3.44Å; Y29-S33 WeakPolarHBondContact O-CB 3.5Å; Y29-S33 PolarHBondContact O-N 3.35Å; Y29-S33 PolarHBondContact O-OG 3Å; S30-S33 PolarHBondContact O-N 2.95Å; G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 2.79Å; S33-S103 WeakPolarHBondContact O-CB 3.38Å; S33-S103 PolarHBondContact O-OG 3.5Å; S33-S103 VanDerWaalsContact O-OG 3.1Å |
| 34 | K | 96.3 | Very high | 96.2 | Very high | 129 Ų | 129 | 45.7 Ų | 45.7 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -80.6 | -16.6 | 176.6 | -67.1 | 172.5 | -176.8 | 174.6 | 0 | 113 | S30 G31 L32 W100 G101 | S30-K34 WeakPolarHBondContact O-CG 3.4Å; S30-K34 PolarHBondContact O-N 3.37Å; G31-K34 CarbonylContact O-C 3.53Å; G31-K34 PolarHBondContact O-N 2.99Å; G31-K34 VanDerWaalsContact O-N 3.13Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.45Å; K34-W100 HydrophobicContact CB-CZ3 4.47Å; K34-W100 HydrophobicContact CD-CZ3 4.34Å; K34-G101 WeakPolarHBondContact O-CA 3.18Å; K34-G101 PolarHBondContact O-N 3.15Å |
| 35 | G | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 26.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G31 L32 G101 K106 | G31-G35 PolarHBondContact O-N 3.14Å; L32-G35 PolarHBondContact O-N 3.3Å; G35-G101 VanDerWaalsContact CA-O 3.31Å; G35-G101 WeakPolarHBondContact CA-O 3.49Å; G35-G101 PolarHBondContact O-N 2.83Å; G35-K106 PolarHBondContact O-NZ 3.41Å |
| 36 | D | 97.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 41 Ų | 41 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | trans | -67 | 118.9 | 174.9 | -177.8 | -6.5 | 0 | 0 | 0 | 109.9 | G31 S38 S39 F40 W100 | G31-D36 PolarHBondContact O-N 3.32Å; D36-S38 PolarHBondContact O-N 3.45Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 2.95Å; D36-S38 PolarHBondContact OD1-OG 3.2Å; D36-S39 PolarHBondContact O-N 3.1Å; D36-F40 WeakPolarHBondContact O-CD2 3.44Å; D36-F40 WeakPolarHBondContact O-CE2 3.44Å; D36-W100 HydrophobicContact CB-CZ2 4.1Å | ||
| 37 | P | 96.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 8% | 0.078 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54 | -34.1 | 177.9 | 26.2 | -39.1 | 0 | 0 | 0 | 113.7 | S39 F40 L41 L98 | P37-S39 PolarHBondContact O-N 2.68Å; P37-F40 PolarHBondContact O-N 3.12Å; P37-L41 WeakPolarHBondContact O-CG 3.36Å; P37-L41 PolarHBondContact O-N 3.03Å; P37-L98 HydrophobicContact CB-CD2 4.46Å; P37-L98 WeakPolarHBondContact CG-O 3.49Å |
| 38 | S | 96.8 | Very high | 96.8 | Very high | 69 Ų | 69 | 31.9 Ų | 31.9 | 48% | 0.483 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62 | -28.7 | -175.6 | -40.4 | 0 | 0 | 0 | 0 | 112 | D36 P42 | D36-S38 PolarHBondContact O-N 3.45Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 2.95Å; D36-S38 PolarHBondContact OD1-OG 3.2Å; S38-P42 WeakPolarHBondContact O-CD 3.21Å; S38-P42 WeakPolarHBondContact O-CG 3.13Å |
| 39 | S | 97.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.3 | -23.3 | 176.5 | -38.8 | 0 | 0 | 0 | 0 | 112.8 | D28 G31 D36 P37 | D28-S39 PolarHBondContact OD2-OG 3.3Å; G31-S39 WeakPolarHBondContact CA-OG 3.37Å; D36-S39 PolarHBondContact O-N 3.1Å; P37-S39 PolarHBondContact O-N 2.68Å |
| 40 | F | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -90.1 | -35.8 | -179.9 | -62.6 | -83.7 | 0 | 0 | 0 | 113.2 | L32 D36 P37 I43 V44 F97 K106 I107 I110 | L32-F40 HydrophobicContact CB-CE1 4.5Å; L32-F40 HydrophobicContact CB-CZ 4.27Å; L32-F40 HydrophobicContact CD2-CD1 3.31Å; L32-F40 HydrophobicContact CD2-CD2 4.05Å; L32-F40 HydrophobicContact CD2-CE1 3.28Å; L32-F40 HydrophobicContact CD2-CE2 3.97Å; L32-F40 HydrophobicContact CD2-CG 3.73Å; L32-F40 HydrophobicContact CD2-CZ 3.61Å; L32-F40 HydrophobicContact CG-CE1 4.45Å; D36-F40 WeakPolarHBondContact O-CD2 3.44Å; D36-F40 WeakPolarHBondContact O-CE2 3.44Å; P37-F40 PolarHBondContact O-N 3.12Å; F40-I43 WeakPolarHBondContact O-CB 3.49Å; F40-I43 PolarHBondContact O-N 2.77Å; F40-V44 WeakPolarHBondContact O-CG2 3.24Å; F40-V44 PolarHBondContact O-N 2.89Å; F40-V44 VanDerWaalsContact O-N 3.13Å; F40-F97 HydrophobicContact CB-CE2 4.34Å; F40-F97 HydrophobicContact CB-CZ 4.06Å; F40-K106 HydrophobicContact CD1-CB 4.26Å; F40-K106 HydrophobicContact CD2-CB 4.46Å; F40-K106 HydrophobicContact CD2-CD 4.02Å; F40-K106 HydrophobicContact CE1-CB 3.74Å; F40-K106 HydrophobicContact CE2-CB 4.03Å; F40-K106 HydrophobicContact CE2-CD 3.71Å; F40-K106 HydrophobicContact CZ-CB 3.63Å; F40-K106 HydrophobicContact CZ-CD 4.15Å; F40-I107 HydrophobicContact CE1-CG1 3.72Å; F40-I107 HydrophobicContact CZ-CG1 4.03Å; F40-I110 HydrophobicContact CB-CD1 4.48Å; F40-I110 HydrophobicContact CB-CG1 4.28Å; F40-I110 HydrophobicContact CD1-CD1 4.47Å; F40-I110 HydrophobicContact CD1-CG1 3.55Å; F40-I110 HydrophobicContact CE1-CG1 4.36Å; F40-I110 HydrophobicContact CG-CG1 4.31Å |
| 41 | L | 96.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | -174.2 | -73.3 | 165.6 | 0 | 0 | 0 | 113.4 | P37 I43 V44 S45 D71 F74 F97 | P37-L41 WeakPolarHBondContact O-CG 3.36Å; P37-L41 PolarHBondContact O-N 3.03Å; L41-I43 VanDerWaalsContact C-N 3.31Å; L41-I43 PolarHBondContact O-N 3.38Å; L41-V44 PolarHBondContact O-N 3.38Å; L41-S45 WeakPolarHBondContact O-CB 3.47Å; L41-S45 PolarHBondContact O-N 2.82Å; L41-D71 HydrophobicContact CD1-CB 3.79Å; L41-D71 VanDerWaalsContact CD1-CG 3.42Å; L41-F74 HydrophobicContact CD2-CD1 3.53Å; L41-F74 HydrophobicContact CD2-CE1 3.74Å; L41-F97 HydrophobicContact CD2-CE1 3.82Å; L41-F97 HydrophobicContact CG-CE1 4.43Å |
| 42 | P | 96.6 | Very high | 96.5 | Very high | 62 Ų | 62 | 28.6 Ų | 28.6 | 40% | 0.403 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 177.7 | -25.9 | 36.2 | 0 | 0 | 0 | 113 | Y23 S38 V44 S45 F46 | Y23-P42 WeakPolarHBondContact OH-CB 3.28Å; S38-P42 WeakPolarHBondContact O-CD 3.21Å; S38-P42 WeakPolarHBondContact O-CG 3.13Å; P42-V44 PolarHBondContact O-N 3.29Å; P42-S45 PolarHBondContact O-N 2.6Å; P42-F46 WeakPolarHBondContact O-CB 3.48Å; P42-F46 PolarHBondContact O-N 2.96Å |
| 43 | I | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 177.7 | -63.5 | 170.4 | 0 | 0 | 0 | 110.3 | L18 Y23 V27 L32 F40 L41 T47 I110 I114 | L18-I43 HydrophobicContact CD1-CD1 4.25Å; L18-I43 HydrophobicContact CD2-CG1 4.44Å; L18-I43 HydrophobicContact CD2-CG2 3.58Å; Y23-I43 HydrophobicContact CE1-CG1 4.33Å; Y23-I43 HydrophobicContact CE2-CG1 4.29Å; V27-I43 HydrophobicContact CG1-CD1 4.25Å; L32-I43 HydrophobicContact CD1-CD1 4.32Å; L32-I43 HydrophobicContact CD2-CD1 4.24Å; F40-I43 WeakPolarHBondContact O-CB 3.49Å; F40-I43 PolarHBondContact O-N 2.77Å; L41-I43 VanDerWaalsContact C-N 3.31Å; L41-I43 PolarHBondContact O-N 3.38Å; I43-T47 WeakPolarHBondContact O-CB 3.32Å; I43-T47 PolarHBondContact O-N 3Å; I43-T47 PolarHBondContact O-OG1 2.96Å; I43-I110 HydrophobicContact CG2-CG2 3.75Å; I43-I114 HydrophobicContact CG2-CD1 4.27Å |
| 44 | V | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | F40 L41 P42 T47 L48 F74 L78 I110 I113 | F40-V44 WeakPolarHBondContact O-CG2 3.24Å; F40-V44 PolarHBondContact O-N 2.89Å; F40-V44 VanDerWaalsContact O-N 3.13Å; L41-V44 PolarHBondContact O-N 3.38Å; P42-V44 PolarHBondContact O-N 3.29Å; V44-T47 PolarHBondContact O-N 3.09Å; V44-L48 HydrophobicContact CG1-CD1 3.78Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CG 3.39Å; V44-L48 PolarHBondContact O-N 3.09Å; V44-F74 HydrophobicContact CB-CE1 4.22Å; V44-F74 HydrophobicContact CB-CZ 4.17Å; V44-F74 HydrophobicContact CG1-CE1 3.97Å; V44-F74 HydrophobicContact CG1-CZ 3.88Å; V44-L78 HydrophobicContact CG1-CD1 3.62Å; V44-L78 HydrophobicContact CG1-CD2 3.89Å; V44-L78 HydrophobicContact CG1-CG 4.35Å; V44-I110 HydrophobicContact CG2-CD1 3.31Å; V44-I110 HydrophobicContact CG2-CG1 4.21Å; V44-I113 HydrophobicContact CG2-CD1 4.39Å |
| 45 | S | 96.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 27 Ų | 27 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.2 | -57.6 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | L41 P42 T47 L48 T49 | L41-S45 WeakPolarHBondContact O-CB 3.47Å; L41-S45 PolarHBondContact O-N 2.82Å; P42-S45 PolarHBondContact O-N 2.6Å; S45-T47 VanDerWaalsContact C-N 3.28Å; S45-T47 PolarHBondContact O-N 3.12Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-L48 VanDerWaalsContact O-N 3.09Å; S45-T49 PolarHBondContact O-N 2.69Å; S45-T49 PolarHBondContact O-OG1 2.89Å |
| 46 | F | 97.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 28 Ų | 28 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.9 | -46.2 | 176.6 | 172.1 | -91.6 | 0 | 0 | 0 | 112.7 | I21 Y23 P24 P42 L48 T49 T50 F51 | I21-F46 HydrophobicContact CB-CE1 4.38Å; I21-F46 HydrophobicContact CD1-CD1 4.02Å; I21-F46 HydrophobicContact CD1-CE1 3.95Å; I21-F46 HydrophobicContact CG1-CE1 4.09Å; Y23-F46 HydrophobicContact CD2-CB 3.88Å; Y23-F46 AromaticContact CD2-CD1 3.45Å; Y23-F46 HydrophobicContact CD2-CD1 3.45Å; Y23-F46 VanDerWaalsContact CD2-CD1 3.45Å; Y23-F46 HydrophobicContact CD2-CD2 4.29Å; Y23-F46 HydrophobicContact CD2-CE1 4.02Å; Y23-F46 AromaticContact CD2-CG 3.59Å; Y23-F46 HydrophobicContact CD2-CG 3.59Å; Y23-F46 HydrophobicContact CE2-CB 3.6Å; Y23-F46 HydrophobicContact CE2-CD1 4.11Å; Y23-F46 AromaticContact CE2-CG 3.82Å; Y23-F46 HydrophobicContact CE2-CG 3.82Å; Y23-F46 HydrophobicContact CG-CD1 4.49Å; P24-F46 HydrophobicContact CG-CD2 4.07Å; P24-F46 HydrophobicContact CG-CE2 3.77Å; P42-F46 WeakPolarHBondContact O-CB 3.48Å; P42-F46 PolarHBondContact O-N 2.96Å; F46-L48 VanDerWaalsContact C-N 3.27Å; F46-L48 PolarHBondContact O-N 3.15Å; F46-T49 PolarHBondContact O-N 3.41Å; F46-T50 HydrophobicContact CD2-CG2 3.88Å; F46-T50 HydrophobicContact CE2-CG2 3.68Å; F46-T50 PolarHBondContact O-N 3.41Å; F46-F51 HydrophobicContact CD1-CB 4.29Å; F46-F51 HydrophobicContact CE1-CB 3.84Å; F46-F51 HydrophobicContact CZ-CB 4.3Å; F46-F51 PolarHBondContact O-N 2.95Å |
| 47 | T | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | I43 V44 S45 I114 V117 | I43-T47 WeakPolarHBondContact O-CB 3.32Å; I43-T47 PolarHBondContact O-N 3Å; I43-T47 PolarHBondContact O-OG1 2.96Å; V44-T47 PolarHBondContact O-N 3.09Å; S45-T47 VanDerWaalsContact C-N 3.28Å; S45-T47 PolarHBondContact O-N 3.12Å; T47-I114 HydrophobicContact CG2-CB 4.44Å; T47-I114 HydrophobicContact CG2-CG1 3.98Å; T47-V117 HydrophobicContact CG2-CB 3.98Å; T47-V117 HydrophobicContact CG2-CG1 4.23Å; T47-V117 HydrophobicContact CG2-CG2 3.98Å |
| 48 | L | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -87.8 | -29.5 | -176.2 | -65.5 | 173.1 | 0 | 0 | 0 | 113.7 | V44 S45 F46 F55 L59 L66 L78 V117 | V44-L48 HydrophobicContact CG1-CD1 3.78Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CG 3.39Å; V44-L48 PolarHBondContact O-N 3.09Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-L48 VanDerWaalsContact O-N 3.09Å; F46-L48 VanDerWaalsContact C-N 3.27Å; F46-L48 PolarHBondContact O-N 3.15Å; L48-F55 HydrophobicContact CD2-CE1 3.78Å; L48-L59 HydrophobicContact CB-CD1 4.31Å; L48-L66 HydrophobicContact CB-CD1 3.52Å; L48-L66 HydrophobicContact CD1-CD1 3.51Å; L48-L66 HydrophobicContact CG-CD1 4.12Å; L48-L78 HydrophobicContact CD1-CD1 3.52Å; L48-V117 HydrophobicContact CD2-CG2 3.62Å |
| 49 | T | 94.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 32 Ų | 32 | 28% | 0.282 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -104.3 | -34 | -172.4 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | S45 F46 A56 L66 | S45-T49 PolarHBondContact O-N 2.69Å; S45-T49 PolarHBondContact O-OG1 2.89Å; F46-T49 PolarHBondContact O-N 3.41Å; T49-A56 VanDerWaalsContact O-CB 3.26Å; T49-A56 WeakPolarHBondContact O-CB 3.34Å; T49-L66 HydrophobicContact CG2-CB 3.85Å |
| 50 | T | 94.9 | Very high | 95.6 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 52% | 0.515 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -40 | -165.3 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | F46 S52 | F46-T50 HydrophobicContact CD2-CG2 3.88Å; F46-T50 HydrophobicContact CE2-CG2 3.68Å; F46-T50 PolarHBondContact O-N 3.41Å; T50-S52 VanDerWaalsContact C-N 3.3Å; T50-S52 PolarHBondContact O-N 3.19Å |
| 51 | F | 95.7 | Very high | 95.4 | Very high | 37 Ų | 37 | 39.5 Ų | 39.5 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -58.1 | -40.2 | -176.5 | 166.9 | -111.7 | 0 | 0 | 0 | 113.2 | I21 F46 V117 L118 H121 | I21-F51 HydrophobicContact CB-CD2 3.49Å; I21-F51 VanDerWaalsContact CB-CD2 3.49Å; I21-F51 HydrophobicContact CB-CE2 3.72Å; I21-F51 HydrophobicContact CB-CG 3.98Å; I21-F51 HydrophobicContact CB-CZ 4.39Å; I21-F51 HydrophobicContact CG2-CD1 4.24Å; I21-F51 HydrophobicContact CG2-CD2 3.87Å; I21-F51 HydrophobicContact CG2-CE1 4.13Å; I21-F51 HydrophobicContact CG2-CE2 3.75Å; I21-F51 HydrophobicContact CG2-CG 4.12Å; I21-F51 HydrophobicContact CG2-CZ 3.91Å; I21-F51 WeakPolarHBondContact O-CD2 3.43Å; F46-F51 HydrophobicContact CD1-CB 4.29Å; F46-F51 HydrophobicContact CE1-CB 3.84Å; F46-F51 HydrophobicContact CZ-CB 4.3Å; F46-F51 PolarHBondContact O-N 2.95Å; F51-V117 HydrophobicContact CD1-CG1 3.81Å; F51-V117 HydrophobicContact CE1-CG1 4.19Å; F51-L118 HydrophobicContact CE1-CD2 3.88Å; F51-L118 HydrophobicContact CE1-CG 4.26Å; F51-L118 HydrophobicContact CE2-CD2 4.39Å; F51-L118 HydrophobicContact CZ-CD2 3.45Å; F51-L118 VanDerWaalsContact CZ-CD2 3.45Å; F51-L118 HydrophobicContact CZ-CG 4.29Å; F51-H121 HydrophobicContact CE1-CB 4.11Å |
| 52 | S | 94 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -131.8 | 92 | -178.1 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | T50 P54 F55 A56 H121 | T50-S52 VanDerWaalsContact C-N 3.3Å; T50-S52 PolarHBondContact O-N 3.19Å; S52-P54 VanDerWaalsContact C-CD 3.49Å; S52-F55 WeakPolarHBondContact O-CA 3.48Å; S52-F55 WeakPolarHBondContact O-CB 3.26Å; S52-F55 PolarHBondContact O-N 3.01Å; S52-F55 WeakPolarHBondContact OG-CB 3.37Å; S52-A56 PolarHBondContact O-N 3.39Å; S52-H121 VanDerWaalsContact CB-ND1 3.33Å; S52-H121 WeakPolarHBondContact CB-ND1 3.44Å; S52-H121 PolarHBondContact OG-ND1 3.39Å | ||
| 53 | P | 94 | Very high | 95.1 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -52.8 | -44.2 | -179.3 | -24.3 | 31.9 | 0 | 0 | 0 | 114.6 | F55 A56 E57 | P53-F55 PolarHBondContact O-N 3.49Å; P53-F55 VanDerWaalsContact O-N 3.15Å; P53-A56 PolarHBondContact O-N 3.08Å; P53-A56 VanDerWaalsContact O-N 3.12Å; P53-E57 WeakPolarHBondContact O-CG 3.47Å; P53-E57 PolarHBondContact O-N 3.38Å |
| 54 | P | 94.3 | Very high | 94.8 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -27.5 | 177.1 | -22.7 | 33.7 | 0 | 0 | 0 | 113.5 | S52 Q58 L124 | S52-P54 VanDerWaalsContact C-CD 3.49Å; P54-Q58 PolarHBondContact O-N 3.14Å; P54-L124 HydrophobicContact CB-CD1 4.27Å |
| 55 | F | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -79.2 | -41.1 | 176.8 | -179.2 | -116.8 | 0 | 0 | 0 | 111 | L48 S52 P53 E57 Q58 L59 V81 I85 F86 V117 R120 L124 | L48-F55 HydrophobicContact CD2-CE1 3.78Å; S52-F55 WeakPolarHBondContact O-CA 3.48Å; S52-F55 WeakPolarHBondContact O-CB 3.26Å; S52-F55 PolarHBondContact O-N 3.01Å; S52-F55 WeakPolarHBondContact OG-CB 3.37Å; P53-F55 PolarHBondContact O-N 3.49Å; P53-F55 VanDerWaalsContact O-N 3.15Å; F55-E57 VanDerWaalsContact C-N 3.32Å; F55-E57 PolarHBondContact O-N 3.29Å; F55-Q58 WeakPolarHBondContact O-CA 3.28Å; F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.49Å; F55-Q58 PolarHBondContact O-N 3.37Å; F55-Q58 VanDerWaalsContact O-N 3.11Å; F55-L59 HydrophobicContact CD1-CD1 4.17Å; F55-L59 HydrophobicContact CE1-CD1 3.71Å; F55-L59 HydrophobicContact CE1-CD2 4.31Å; F55-L59 HydrophobicContact CE1-CG 4.12Å; F55-L59 HydrophobicContact CE2-CD2 4.14Å; F55-L59 HydrophobicContact CE2-CG 4.34Å; F55-L59 HydrophobicContact CZ-CD1 4.04Å; F55-L59 HydrophobicContact CZ-CD2 3.77Å; F55-L59 HydrophobicContact CZ-CG 4.02Å; F55-L59 WeakPolarHBondContact O-CG 3.36Å; F55-L59 PolarHBondContact O-N 2.88Å; F55-V81 HydrophobicContact CZ-CG1 4.48Å; F55-I85 HydrophobicContact CE2-CG2 4.02Å; F55-I85 HydrophobicContact CZ-CG2 4.42Å; F55-F86 HydrophobicContact CE1-CE2 4.17Å; F55-F86 AromaticContact CE1-CZ 3.91Å; F55-F86 HydrophobicContact CE1-CZ 3.91Å; F55-F86 HydrophobicContact CE2-CE2 4.38Å; F55-F86 AromaticContact CE2-CZ 3.91Å; F55-F86 HydrophobicContact CE2-CZ 3.91Å; F55-F86 HydrophobicContact CZ-CE1 4.37Å; F55-F86 AromaticContact CZ-CE2 3.51Å; F55-F86 HydrophobicContact CZ-CE2 3.51Å; F55-F86 AromaticContact CZ-CZ 3.3Å; F55-F86 HydrophobicContact CZ-CZ 3.3Å; F55-V117 HydrophobicContact CD1-CG1 3.99Å; F55-V117 HydrophobicContact CE1-CG1 4.29Å; F55-V117 HydrophobicContact CE1-CG2 4.02Å; F55-R120 HydrophobicContact CD2-CB 4.48Å; F55-R120 HydrophobicContact CD2-CG 3.54Å; F55-R120 HydrophobicContact CE2-CG 3.74Å; F55-R120 HydrophobicContact CG-CG 4.34Å; F55-L124 HydrophobicContact CB-CD1 3.95Å; F55-L124 HydrophobicContact CD2-CD1 4.33Å |
| 56 | A | 95 | Very high | 94 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T49 S52 P53 Q58 L59 V60 | T49-A56 VanDerWaalsContact O-CB 3.26Å; T49-A56 WeakPolarHBondContact O-CB 3.34Å; S52-A56 PolarHBondContact O-N 3.39Å; P53-A56 PolarHBondContact O-N 3.08Å; P53-A56 VanDerWaalsContact O-N 3.12Å; A56-Q58 VanDerWaalsContact C-N 3.32Å; A56-Q58 PolarHBondContact O-N 2.86Å; A56-L59 WeakPolarHBondContact O-CB 3.34Å; A56-L59 PolarHBondContact O-N 3.28Å; A56-L59 VanDerWaalsContact O-N 3.09Å; A56-V60 WeakPolarHBondContact O-CG2 3.37Å; A56-V60 PolarHBondContact O-N 2.89Å |
| 57 | E | 94.2 | Very high | 93.3 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.7 | -42 | 172.7 | -71.9 | 172.8 | -164.7 | 0 | 0 | 112.1 | P53 F55 L59 V60 A61 | P53-E57 WeakPolarHBondContact O-CG 3.47Å; P53-E57 PolarHBondContact O-N 3.38Å; F55-E57 VanDerWaalsContact C-N 3.32Å; F55-E57 PolarHBondContact O-N 3.29Å; E57-L59 VanDerWaalsContact C-N 3.28Å; E57-L59 PolarHBondContact O-N 2.92Å; E57-V60 PolarHBondContact O-N 3.33Å; E57-A61 WeakPolarHBondContact O-CB 3.34Å; E57-A61 PolarHBondContact O-N 3.17Å |
| 58 | Q | 94.4 | Very high | 92.3 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 174.9 | -167.2 | -163.2 | -34.6 | 0 | 0 | 111.8 | P54 F55 A56 A62 R120 | P54-Q58 PolarHBondContact O-N 3.14Å; F55-Q58 WeakPolarHBondContact O-CA 3.28Å; F55-Q58 VanDerWaalsContact O-CB 3.31Å; F55-Q58 WeakPolarHBondContact O-CB 3.49Å; F55-Q58 PolarHBondContact O-N 3.37Å; F55-Q58 VanDerWaalsContact O-N 3.11Å; A56-Q58 VanDerWaalsContact C-N 3.32Å; A56-Q58 PolarHBondContact O-N 2.86Å; Q58-A62 WeakPolarHBondContact O-CB 3.33Å; Q58-A62 PolarHBondContact O-N 3.21Å; Q58-A62 VanDerWaalsContact O-N 3.09Å; Q58-R120 VanDerWaalsContact CD-NH2 3.32Å; Q58-R120 VanDerWaalsContact OE1-NE 3.1Å |
| 59 | L | 95.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 177.1 | -63.9 | 175.8 | 0 | 0 | 0 | 111.6 | L48 F55 A56 E57 A62 G63 L64 L66 V81 I85 | L48-L59 HydrophobicContact CB-CD1 4.31Å; F55-L59 HydrophobicContact CD1-CD1 4.17Å; F55-L59 HydrophobicContact CE1-CD1 3.71Å; F55-L59 HydrophobicContact CE1-CD2 4.31Å; F55-L59 HydrophobicContact CE1-CG 4.12Å; F55-L59 HydrophobicContact CE2-CD2 4.14Å; F55-L59 HydrophobicContact CE2-CG 4.34Å; F55-L59 HydrophobicContact CZ-CD1 4.04Å; F55-L59 HydrophobicContact CZ-CD2 3.77Å; F55-L59 HydrophobicContact CZ-CG 4.02Å; F55-L59 WeakPolarHBondContact O-CG 3.36Å; F55-L59 PolarHBondContact O-N 2.88Å; A56-L59 WeakPolarHBondContact O-CB 3.34Å; A56-L59 PolarHBondContact O-N 3.28Å; A56-L59 VanDerWaalsContact O-N 3.09Å; E57-L59 VanDerWaalsContact C-N 3.28Å; E57-L59 PolarHBondContact O-N 2.92Å; L59-A62 CarbonylContact O-C 3.55Å; L59-A62 PolarHBondContact O-N 3.34Å; L59-G63 PolarHBondContact O-N 3.06Å; L59-L64 HydrophobicContact CB-CB 4.47Å; L59-L64 WeakPolarHBondContact O-CA 3.31Å; L59-L64 PolarHBondContact O-N 3.41Å; L59-L66 HydrophobicContact CD1-CD1 4.15Å; L59-V81 HydrophobicContact CD2-CB 4.42Å; L59-V81 HydrophobicContact CD2-CG1 3.69Å; L59-V81 HydrophobicContact CD2-CG2 3.85Å; L59-I85 HydrophobicContact CD2-CG1 4.19Å |
| 60 | V | 94.7 | Very high | 91.9 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | A56 E57 A62 G63 E65 | A56-V60 WeakPolarHBondContact O-CG2 3.37Å; A56-V60 PolarHBondContact O-N 2.89Å; E57-V60 PolarHBondContact O-N 3.33Å; V60-A62 PolarHBondContact O-N 3.01Å; V60-G63 PolarHBondContact O-N 3.28Å; V60-E65 HydrophobicContact CG2-CB 4.35Å; V60-E65 HydrophobicContact CG2-CG 4.25Å |
| 61 | A | 93.9 | Very high | 91.9 | Very high | 90 Ų | 90 | 59 Ų | 59 | 74% | 0.744 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.2 | -27.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E57 G63 | E57-A61 WeakPolarHBondContact O-CB 3.34Å; E57-A61 PolarHBondContact O-N 3.17Å; A61-G63 VanDerWaalsContact C-N 3.32Å |
| 62 | A | 93.3 | Very high | 91.8 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q58 L59 V60 L64 I85 | Q58-A62 WeakPolarHBondContact O-CB 3.33Å; Q58-A62 PolarHBondContact O-N 3.21Å; Q58-A62 VanDerWaalsContact O-N 3.09Å; L59-A62 CarbonylContact O-C 3.55Å; L59-A62 PolarHBondContact O-N 3.34Å; V60-A62 PolarHBondContact O-N 3.01Å; A62-L64 VanDerWaalsContact C-N 3.29Å; A62-L64 HydrophobicContact CB-CD1 4.27Å; A62-L64 HydrophobicContact CB-CG 4.35Å; A62-L64 PolarHBondContact O-N 2.74Å; A62-I85 HydrophobicContact CB-CD1 4.49Å |
| 63 | G | 92.8 | Very high | 91.9 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 19.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L59 V60 A61 | L59-G63 PolarHBondContact O-N 3.06Å; V60-G63 PolarHBondContact O-N 3.28Å; A61-G63 VanDerWaalsContact C-N 3.32Å |
| 64 | L | 92.9 | Very high | 92 | Very high | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | trans | -109.8 | 42.1 | -176.7 | -62.3 | 174.9 | 0 | 0 | 0 | 111.8 | L59 A62 T77 K80 V81 I85 | L59-L64 HydrophobicContact CB-CB 4.47Å; L59-L64 WeakPolarHBondContact O-CA 3.31Å; L59-L64 PolarHBondContact O-N 3.41Å; A62-L64 VanDerWaalsContact C-N 3.29Å; A62-L64 HydrophobicContact CB-CD1 4.27Å; A62-L64 HydrophobicContact CB-CG 4.35Å; A62-L64 PolarHBondContact O-N 2.74Å; L64-T77 HydrophobicContact CB-CG2 4.24Å; L64-T77 HydrophobicContact CD2-CG2 4.32Å; L64-K80 HydrophobicContact CD2-CB 3.96Å; L64-K80 HydrophobicContact CD2-CD 4.27Å; L64-V81 HydrophobicContact CB-CG2 3.89Å; L64-V81 HydrophobicContact CD1-CG2 3.84Å; L64-V81 HydrophobicContact CG-CG2 4.35Å; L64-I85 HydrophobicContact CD1-CD1 4.2Å; L64-I85 HydrophobicContact CD1-CG1 4Å | ||
| 65 | E | 89.5 | Confident | 92.2 | Very high | 105 Ų | 105 | 62.8 Ų | 62.8 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | trans | -62.7 | 140.5 | 178.4 | -174.1 | 173.8 | -171.2 | 0 | 0 | 111.5 | V60 K69 | V60-E65 HydrophobicContact CG2-CB 4.35Å; V60-E65 HydrophobicContact CG2-CG 4.25Å; E65-K69 WeakPolarHBondContact O-CE 3.27Å; E65-K69 PolarHBondContact O-NZ 3.16Å | ||
| 66 | L | 87.4 | Confident | 92.2 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | trans | -112.2 | -3.9 | -175.6 | -72.1 | 159.4 | 0 | 0 | 0 | 113.9 | L48 T49 L59 F74 T77 | L48-L66 HydrophobicContact CB-CD1 3.52Å; L48-L66 HydrophobicContact CD1-CD1 3.51Å; L48-L66 HydrophobicContact CG-CD1 4.12Å; T49-L66 HydrophobicContact CG2-CB 3.85Å; L59-L66 HydrophobicContact CD1-CD1 4.15Å; L66-F74 HydrophobicContact CB-CD2 4.2Å; L66-F74 HydrophobicContact CB-CE2 3.99Å; L66-F74 HydrophobicContact CD2-CD2 3.84Å; L66-F74 HydrophobicContact CD2-CE2 3.85Å; L66-F74 HydrophobicContact CD2-CG 4.49Å; L66-F74 HydrophobicContact CD2-CZ 4.48Å; L66-F74 HydrophobicContact CG-CE2 4.38Å; L66-T77 HydrophobicContact CD2-CG2 3.59Å; L66-T77 HydrophobicContact CG-CG2 4.13Å | ||
| 67 | S | 80.7 | Confident | 92.3 | Very high | 84 Ų | 84 | 63.9 Ų | 63.9 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 147.6 | -176.1 | -169.7 | 0 | 0 | 0 | 0 | 113.1 | K69 | S67-K69 PolarHBondContact O-N 2.89Å; S67-K69 VanDerWaalsContact O-N 3.16Å |
| 68 | G | 77.7 | Confident | 92.4 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 91% | 0.907 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 20.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 69 | K | 86.8 | Confident | 92.6 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | trans | -99 | 151.7 | -175.6 | -73.7 | 176.6 | 176.1 | -174.1 | 0 | 112.3 | E65 S67 R73 F74 T77 | E65-K69 WeakPolarHBondContact O-CE 3.27Å; E65-K69 PolarHBondContact O-NZ 3.16Å; S67-K69 PolarHBondContact O-N 2.89Å; S67-K69 VanDerWaalsContact O-N 3.16Å; K69-R73 HydrophobicContact CB-CB 4.22Å; K69-R73 HydrophobicContact CD-CB 4.44Å; K69-R73 HydrophobicContact CG-CB 4.43Å; K69-F74 HydrophobicContact CB-CB 4.24Å; K69-T77 PolarHBondContact NZ-OG1 2.82Å | ||
| 70 | T | 94 | Very high | 92.7 | Very high | 93 Ų | 93 | 60 Ų | 60 | 57% | 0.571 | 37% | 0.365 | S | S | * | . | trans | -65.4 | 154.7 | 164.1 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | L72 R73 F74 | T70-L72 PolarHBondContact O-N 2.92Å; T70-L72 VanDerWaalsContact O-N 3.12Å; T70-R73 PolarHBondContact O-N 2.83Å; T70-F74 WeakPolarHBondContact O-CB 3.48Å; T70-F74 PolarHBondContact O-N 3.07Å | ||
| 71 | D | 94.4 | Very high | 92.8 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53 | -38.6 | -178.1 | -61.7 | -10.4 | 0 | 0 | 0 | 113.3 | L41 T75 L98 | L41-D71 HydrophobicContact CD1-CB 3.79Å; L41-D71 VanDerWaalsContact CD1-CG 3.42Å; D71-T75 VanDerWaalsContact O-CB 3.28Å; D71-T75 WeakPolarHBondContact O-CB 3.28Å; D71-T75 PolarHBondContact O-N 3.06Å; D71-T75 PolarHBondContact O-OG1 3.32Å; D71-L98 HydrophobicContact CB-CD2 4.22Å |
| 72 | L | 94.9 | Very high | 92.9 | Very high | 92 Ų | 92 | 52 Ų | 52 | 48% | 0.482 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -49.2 | 177.3 | -177.2 | 63.3 | 0 | 0 | 0 | 111.5 | T70 T75 D76 L98 | T70-L72 PolarHBondContact O-N 2.92Å; T70-L72 VanDerWaalsContact O-N 3.12Å; L72-T75 PolarHBondContact O-N 2.89Å; L72-D76 PolarHBondContact O-N 3.38Å; L72-L98 HydrophobicContact CD1-CD1 3.87Å |
| 73 | R | 95.4 | Very high | 93.1 | Very high | 147 Ų | 147 | 55.2 Ų | 55.2 | 56% | 0.555 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.9 | -34 | -179.3 | -72.6 | -68.2 | 121.9 | 120.3 | 5.3 | 112.2 | K69 T70 D76 T77 | K69-R73 HydrophobicContact CB-CB 4.22Å; K69-R73 HydrophobicContact CD-CB 4.44Å; K69-R73 HydrophobicContact CG-CB 4.43Å; T70-R73 PolarHBondContact O-N 2.83Å; R73-D76 IonicContact CZ-OD2 3.92Å; R73-D76 IonicContact NE-OD2 3.94Å; R73-D76 PolarHBondContact NE-OD2 3.23Å; R73-D76 IonicContact NH2-OD2 3.3Å; R73-T77 PolarHBondContact O-N 3.01Å; R73-T77 VanDerWaalsContact O-N 3.09Å; R73-T77 PolarHBondContact O-OG1 2.98Å |
| 74 | F | 96.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 6% | 0.057 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.9 | -51.9 | 170.4 | 177.2 | -89.6 | 0 | 0 | 0 | 110.1 | L41 V44 L66 K69 T70 D76 T77 L78 | L41-F74 HydrophobicContact CD2-CD1 3.53Å; L41-F74 HydrophobicContact CD2-CE1 3.74Å; V44-F74 HydrophobicContact CB-CE1 4.22Å; V44-F74 HydrophobicContact CB-CZ 4.17Å; V44-F74 HydrophobicContact CG1-CE1 3.97Å; V44-F74 HydrophobicContact CG1-CZ 3.88Å; L66-F74 HydrophobicContact CB-CD2 4.2Å; L66-F74 HydrophobicContact CB-CE2 3.99Å; L66-F74 HydrophobicContact CD2-CD2 3.84Å; L66-F74 HydrophobicContact CD2-CE2 3.85Å; L66-F74 HydrophobicContact CD2-CG 4.49Å; L66-F74 HydrophobicContact CD2-CZ 4.48Å; L66-F74 HydrophobicContact CG-CE2 4.38Å; K69-F74 HydrophobicContact CB-CB 4.24Å; T70-F74 WeakPolarHBondContact O-CB 3.48Å; T70-F74 PolarHBondContact O-N 3.07Å; F74-D76 VanDerWaalsContact C-N 3.35Å; F74-D76 PolarHBondContact O-N 3.09Å; F74-T77 PolarHBondContact O-N 2.96Å; F74-T77 VanDerWaalsContact O-N 3.09Å; F74-L78 WeakPolarHBondContact O-CB 3.46Å; F74-L78 PolarHBondContact O-N 3.24Å |
| 75 | T | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | D71 L72 T77 L78 Y79 K94 F97 L98 | D71-T75 VanDerWaalsContact O-CB 3.28Å; D71-T75 WeakPolarHBondContact O-CB 3.28Å; D71-T75 PolarHBondContact O-N 3.06Å; D71-T75 PolarHBondContact O-OG1 3.32Å; L72-T75 PolarHBondContact O-N 2.89Å; T75-T77 VanDerWaalsContact C-N 3.29Å; T75-T77 PolarHBondContact O-N 3.28Å; T75-L78 WeakPolarHBondContact O-CB 3.49Å; T75-L78 PolarHBondContact O-N 3.49Å; T75-Y79 HydrophobicContact CG2-CD2 3.87Å; T75-Y79 HydrophobicContact CG2-CE2 3.73Å; T75-Y79 WeakPolarHBondContact O-CD2 3.5Å; T75-Y79 PolarHBondContact O-N 2.92Å; T75-K94 HydrophobicContact CG2-CB 4.09Å; T75-K94 HydrophobicContact CG2-CG 4.31Å; T75-F97 HydrophobicContact CG2-CD1 3.87Å; T75-L98 HydrophobicContact CG2-CD1 4.35Å; T75-L98 HydrophobicContact CG2-CG 4.32Å; T75-L98 WeakPolarHBondContact OG1-CD2 3.26Å |
| 76 | D | 96.3 | Very high | 93.6 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 172.8 | -80.4 | -33.7 | 0 | 0 | 0 | 112 | L72 R73 F74 K80 K94 | L72-D76 PolarHBondContact O-N 3.38Å; R73-D76 IonicContact CZ-OD2 3.92Å; R73-D76 IonicContact NE-OD2 3.94Å; R73-D76 PolarHBondContact NE-OD2 3.23Å; R73-D76 IonicContact NH2-OD2 3.3Å; F74-D76 VanDerWaalsContact C-N 3.35Å; F74-D76 PolarHBondContact O-N 3.09Å; D76-K80 WeakPolarHBondContact O-CG 3.39Å; D76-K80 PolarHBondContact O-N 3.47Å; D76-K94 VanDerWaalsContact OD1-CD 3.28Å; D76-K94 WeakPolarHBondContact OD1-CD 3.4Å; D76-K94 WeakPolarHBondContact OD1-CE 3.32Å; D76-K94 IonicContact OD1-NZ 2.68Å; D76-K94 PolarHBondContact OD1-NZ 3.03Å |
| 77 | T | 96.9 | Very high | 94 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.4 | -44.1 | -179.3 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | L64 L66 K69 R73 F74 T75 Y79 K80 V81 | L64-T77 HydrophobicContact CB-CG2 4.24Å; L64-T77 HydrophobicContact CD2-CG2 4.32Å; L66-T77 HydrophobicContact CD2-CG2 3.59Å; L66-T77 HydrophobicContact CG-CG2 4.13Å; K69-T77 PolarHBondContact NZ-OG1 2.82Å; R73-T77 PolarHBondContact O-N 3.01Å; R73-T77 VanDerWaalsContact O-N 3.09Å; R73-T77 PolarHBondContact O-OG1 2.98Å; F74-T77 PolarHBondContact O-N 2.96Å; F74-T77 VanDerWaalsContact O-N 3.09Å; T75-T77 VanDerWaalsContact C-N 3.29Å; T75-T77 PolarHBondContact O-N 3.28Å; T77-Y79 VanDerWaalsContact C-N 3.28Å; T77-Y79 PolarHBondContact O-N 2.9Å; T77-K80 WeakPolarHBondContact O-CA 3.36Å; T77-K80 WeakPolarHBondContact O-CB 3.38Å; T77-K80 PolarHBondContact O-N 3.2Å; T77-V81 HydrophobicContact CG2-CG2 4.49Å; T77-V81 WeakPolarHBondContact O-CG2 3.48Å; T77-V81 PolarHBondContact O-N 3.49Å |
| 78 | L | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -50.4 | -49 | 173.2 | 170.6 | 64.6 | 0 | 0 | 0 | 111.3 | V44 L48 F74 T75 K80 V81 L82 I113 | V44-L78 HydrophobicContact CG1-CD1 3.62Å; V44-L78 HydrophobicContact CG1-CD2 3.89Å; V44-L78 HydrophobicContact CG1-CG 4.35Å; L48-L78 HydrophobicContact CD1-CD1 3.52Å; F74-L78 WeakPolarHBondContact O-CB 3.46Å; F74-L78 PolarHBondContact O-N 3.24Å; T75-L78 WeakPolarHBondContact O-CB 3.49Å; T75-L78 PolarHBondContact O-N 3.49Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.02Å; L78-V81 WeakPolarHBondContact O-CB 3.39Å; L78-V81 PolarHBondContact O-N 3.33Å; L78-L82 HydrophobicContact CD1-CD1 4.13Å; L78-L82 HydrophobicContact CD1-CG 4.24Å; L78-L82 HydrophobicContact CG-CD1 4.15Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.77Å; L78-I113 HydrophobicContact CD1-CD1 4.19Å; L78-I113 HydrophobicContact CD2-CD1 4.46Å |
| 79 | Y | 97.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.5 | -25.4 | -179.4 | -85.7 | -114.1 | 0 | 0 | 0 | 113.4 | T75 T77 R83 P90 L92 T93 K94 F109 | T75-Y79 HydrophobicContact CG2-CD2 3.87Å; T75-Y79 HydrophobicContact CG2-CE2 3.73Å; T75-Y79 WeakPolarHBondContact O-CD2 3.5Å; T75-Y79 PolarHBondContact O-N 2.92Å; T77-Y79 VanDerWaalsContact C-N 3.28Å; T77-Y79 PolarHBondContact O-N 2.9Å; Y79-R83 WeakPolarHBondContact O-CG 3.39Å; Y79-R83 PolarHBondContact O-N 2.95Å; Y79-R83 PolarHBondContact O-NE 3.45Å; Y79-P90 HydrophobicContact CD1-CB 4Å; Y79-P90 HydrophobicContact CD1-CG 3.69Å; Y79-P90 HydrophobicContact CE1-CB 3.51Å; Y79-P90 HydrophobicContact CE1-CG 3.76Å; Y79-P90 HydrophobicContact CG-CG 4.46Å; Y79-L92 VanDerWaalsContact CE1-O 3.24Å; Y79-L92 WeakPolarHBondContact CE1-O 3.16Å; Y79-L92 PolarHBondContact OH-O 2.6Å; Y79-T93 VanDerWaalsContact OH-C 3.26Å; Y79-T93 PolarHBondContact OH-O 2.81Å; Y79-T93 VanDerWaalsContact OH-O 3.07Å; Y79-K94 HydrophobicContact CD1-CG 3.82Å; Y79-K94 HydrophobicContact CD2-CG 4Å; Y79-K94 HydrophobicContact CE1-CG 4Å; Y79-K94 HydrophobicContact CE2-CG 4.16Å; Y79-K94 HydrophobicContact CG-CG 3.82Å; Y79-F109 HydrophobicContact CE2-CE1 4.22Å; Y79-F109 HydrophobicContact CE2-CZ 4.17Å |
| 80 | K | 97.1 | Very high | 95.9 | Very high | 102 Ų | 102 | 61 Ų | 61 | 44% | 0.443 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.8 | -49 | 168.8 | -70.6 | 178.5 | 179.3 | -175.5 | 0 | 110.4 | L64 D76 T77 L78 L82 R83 D84 | L64-K80 HydrophobicContact CD2-CB 3.96Å; L64-K80 HydrophobicContact CD2-CD 4.27Å; D76-K80 WeakPolarHBondContact O-CG 3.39Å; D76-K80 PolarHBondContact O-N 3.47Å; T77-K80 WeakPolarHBondContact O-CA 3.36Å; T77-K80 WeakPolarHBondContact O-CB 3.38Å; T77-K80 PolarHBondContact O-N 3.2Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.02Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.48Å; K80-R83 PolarHBondContact O-N 3.34Å; K80-R83 VanDerWaalsContact O-N 3.08Å; K80-D84 WeakPolarHBondContact O-CB 3.41Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.12Å |
| 81 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -53.1 | -47.2 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | F55 L59 L64 T77 L78 R83 I85 F86 | F55-V81 HydrophobicContact CZ-CG1 4.48Å; L59-V81 HydrophobicContact CD2-CB 4.42Å; L59-V81 HydrophobicContact CD2-CG1 3.69Å; L59-V81 HydrophobicContact CD2-CG2 3.85Å; L64-V81 HydrophobicContact CB-CG2 3.89Å; L64-V81 HydrophobicContact CD1-CG2 3.84Å; L64-V81 HydrophobicContact CG-CG2 4.35Å; T77-V81 HydrophobicContact CG2-CG2 4.49Å; T77-V81 WeakPolarHBondContact O-CG2 3.48Å; T77-V81 PolarHBondContact O-N 3.49Å; L78-V81 WeakPolarHBondContact O-CB 3.39Å; L78-V81 PolarHBondContact O-N 3.33Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.28Å; V81-I85 HydrophobicContact CG1-CB 4.41Å; V81-I85 HydrophobicContact CG1-CG1 4.32Å; V81-I85 WeakPolarHBondContact O-CA 3.42Å; V81-I85 VanDerWaalsContact O-CB 3.25Å; V81-I85 WeakPolarHBondContact O-CB 3.49Å; V81-I85 PolarHBondContact O-N 2.84Å; V81-F86 HydrophobicContact CG1-CD2 4.07Å; V81-F86 HydrophobicContact CG1-CE2 3.88Å; V81-F86 PolarHBondContact O-N 3.25Å |
| 82 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 179.8 | -67.5 | 173.1 | 0 | 0 | 0 | 113 | L78 K80 F86 H87 Y88 P90 F109 I113 L116 | L78-L82 HydrophobicContact CD1-CD1 4.13Å; L78-L82 HydrophobicContact CD1-CG 4.24Å; L78-L82 HydrophobicContact CG-CD1 4.15Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.77Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.48Å; L82-F86 HydrophobicContact CD2-CD2 4.17Å; L82-F86 CarbonylContact O-C 3.45Å; L82-F86 WeakPolarHBondContact O-CB 3.37Å; L82-F86 PolarHBondContact O-N 2.94Å; L82-H87 PolarHBondContact O-N 3.07Å; L82-H87 VanDerWaalsContact O-N 3.08Å; L82-Y88 HydrophobicContact CB-CD1 4.41Å; L82-Y88 HydrophobicContact CD1-CD1 4.49Å; L82-Y88 HydrophobicContact CD2-CD1 4.38Å; L82-Y88 PolarHBondContact O-N 3.25Å; L82-P90 HydrophobicContact CB-CG 4.41Å; L82-P90 HydrophobicContact CD1-CG 4.16Å; L82-F109 HydrophobicContact CD1-CE2 3.6Å; L82-F109 HydrophobicContact CD1-CZ 3.42Å; L82-F109 VanDerWaalsContact CD1-CZ 3.42Å; L82-I113 HydrophobicContact CD1-CD1 4.37Å; L82-I113 HydrophobicContact CD1-CG1 4.36Å; L82-I113 HydrophobicContact CD2-CG1 3.98Å; L82-L116 HydrophobicContact CD2-CD1 4.16Å |
| 83 | R | 96.6 | Very high | 96 | Very high | 122 Ų | 122 | 55.2 Ų | 55.2 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -80.7 | -42.6 | -178 | -70.4 | -177.9 | -68.9 | 175.6 | 6.7 | 112.7 | Y79 K80 V81 H87 | Y79-R83 WeakPolarHBondContact O-CG 3.39Å; Y79-R83 PolarHBondContact O-N 2.95Å; Y79-R83 PolarHBondContact O-NE 3.45Å; K80-R83 PolarHBondContact O-N 3.34Å; K80-R83 VanDerWaalsContact O-N 3.08Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.28Å; R83-H87 VanDerWaalsContact O-CA 3.26Å; R83-H87 WeakPolarHBondContact O-CA 3.23Å; R83-H87 PolarHBondContact O-N 3.29Å; R83-H87 PolarHBondContact O-ND1 2.68Å; R83-H87 VanDerWaalsContact O-ND1 3.13Å |
| 84 | D | 95.8 | Very high | 96.1 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -87.9 | -35.6 | -168.2 | -57 | -12.8 | 0 | 0 | 0 | 111.2 | K80 H87 | K80-D84 WeakPolarHBondContact O-CB 3.41Å; K80-D84 VanDerWaalsContact O-CG 3.26Å; K80-D84 PolarHBondContact O-N 3.12Å; D84-H87 PolarHBondContact O-CE1 2.8Å; D84-H87 VanDerWaalsContact O-CE1 3.3Å |
| 85 | I | 94.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -43.9 | -177.2 | -52.3 | -61.1 | 0 | 0 | 0 | 111.8 | F55 L59 A62 L64 V81 | F55-I85 HydrophobicContact CE2-CG2 4.02Å; F55-I85 HydrophobicContact CZ-CG2 4.42Å; L59-I85 HydrophobicContact CD2-CG1 4.19Å; A62-I85 HydrophobicContact CB-CD1 4.49Å; L64-I85 HydrophobicContact CD1-CD1 4.2Å; L64-I85 HydrophobicContact CD1-CG1 4Å; V81-I85 HydrophobicContact CG1-CB 4.41Å; V81-I85 HydrophobicContact CG1-CG1 4.32Å; V81-I85 WeakPolarHBondContact O-CA 3.42Å; V81-I85 VanDerWaalsContact O-CB 3.25Å; V81-I85 WeakPolarHBondContact O-CB 3.49Å; V81-I85 PolarHBondContact O-N 2.84Å |
| 86 | F | 95.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -97.1 | -10.7 | -176.6 | -66.9 | -71.4 | 0 | 0 | 0 | 113.8 | F55 V81 L82 Y88 L116 V117 R120 | F55-F86 HydrophobicContact CE1-CE2 4.17Å; F55-F86 AromaticContact CE1-CZ 3.91Å; F55-F86 HydrophobicContact CE1-CZ 3.91Å; F55-F86 HydrophobicContact CE2-CE2 4.38Å; F55-F86 AromaticContact CE2-CZ 3.91Å; F55-F86 HydrophobicContact CE2-CZ 3.91Å; F55-F86 HydrophobicContact CZ-CE1 4.37Å; F55-F86 AromaticContact CZ-CE2 3.51Å; F55-F86 HydrophobicContact CZ-CE2 3.51Å; F55-F86 AromaticContact CZ-CZ 3.3Å; F55-F86 HydrophobicContact CZ-CZ 3.3Å; V81-F86 HydrophobicContact CG1-CD2 4.07Å; V81-F86 HydrophobicContact CG1-CE2 3.88Å; V81-F86 PolarHBondContact O-N 3.25Å; L82-F86 HydrophobicContact CD2-CD2 4.17Å; L82-F86 CarbonylContact O-C 3.45Å; L82-F86 WeakPolarHBondContact O-CB 3.37Å; L82-F86 PolarHBondContact O-N 2.94Å; F86-Y88 PolarHBondContact O-N 2.75Å; F86-L116 HydrophobicContact CB-CD1 4.22Å; F86-L116 HydrophobicContact CB-CD2 4.43Å; F86-L116 HydrophobicContact CD1-CB 3.77Å; F86-L116 HydrophobicContact CD1-CD2 4.16Å; F86-L116 HydrophobicContact CD1-CG 4.38Å; F86-L116 HydrophobicContact CE1-CB 3.78Å; F86-L116 WeakPolarHBondContact CE1-O 3.48Å; F86-L116 HydrophobicContact CG-CB 4.22Å; F86-L116 HydrophobicContact CG-CD1 4.27Å; F86-L116 HydrophobicContact CZ-CB 4.24Å; F86-V117 HydrophobicContact CE2-CG2 4.28Å; F86-V117 HydrophobicContact CZ-CG2 3.81Å; F86-R120 HydrophobicContact CE1-CB 3.88Å; F86-R120 HydrophobicContact CE1-CG 4.39Å; F86-R120 HydrophobicContact CZ-CB 4.38Å |
| 87 | H | 95.9 | Very high | 96.2 | Very high | 160 Ų | 160 | 58.9 Ų | 58.9 | 74% | 0.741 | 28% | 0.275 | S | S | * | . | trans | 49.8 | 29.3 | -171.2 | -53.1 | -50.4 | 0 | 0 | 0 | 112.9 | L82 R83 D84 | L82-H87 PolarHBondContact O-N 3.07Å; L82-H87 VanDerWaalsContact O-N 3.08Å; R83-H87 VanDerWaalsContact O-CA 3.26Å; R83-H87 WeakPolarHBondContact O-CA 3.23Å; R83-H87 PolarHBondContact O-N 3.29Å; R83-H87 PolarHBondContact O-ND1 2.68Å; R83-H87 VanDerWaalsContact O-ND1 3.13Å; D84-H87 PolarHBondContact O-CE1 2.8Å; D84-H87 VanDerWaalsContact O-CE1 3.3Å | ||
| 88 | Y | 96.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 60.5 Ų | 60.5 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | trans | -89.2 | 133.5 | 179.5 | 179.4 | -95.5 | 0 | 0 | 0 | 109.3 | L82 F86 P90 F109 D112 L116 | L82-Y88 HydrophobicContact CB-CD1 4.41Å; L82-Y88 HydrophobicContact CD1-CD1 4.49Å; L82-Y88 HydrophobicContact CD2-CD1 4.38Å; L82-Y88 PolarHBondContact O-N 3.25Å; F86-Y88 PolarHBondContact O-N 2.75Å; Y88-P90 HydrophobicContact CD1-CG 4.49Å; Y88-P90 VanDerWaalsContact O-CD 3.31Å; Y88-P90 WeakPolarHBondContact O-CD 3.26Å; Y88-F109 HydrophobicContact CD1-CE2 4.5Å; Y88-F109 HydrophobicContact CE1-CD2 4.03Å; Y88-F109 AromaticContact CE1-CE2 3.79Å; Y88-F109 HydrophobicContact CE1-CE2 3.79Å; Y88-D112 HydrophobicContact CE2-CB 4.26Å; Y88-D112 PolarHBondContact OH-OD2 3.22Å; Y88-L116 HydrophobicContact CD1-CD1 4.43Å; Y88-L116 HydrophobicContact CD2-CD1 3.92Å; Y88-L116 HydrophobicContact CG-CD1 3.84Å | ||
| 89 | K | 95.1 | Very high | 96.2 | Very high | 182 Ų | 182 | 65.3 Ų | 65.3 | 79% | 0.791 | 31% | 0.306 | S | S | * | . | trans | -92.2 | 109.5 | 174.4 | -177.2 | 178.4 | 176.8 | 178.8 | 0 | 109.2 | ||||
| 90 | P | 93.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | trans | -58.5 | 138.5 | 179.9 | -25.4 | 37.2 | 0 | 0 | 0 | 112.8 | Y79 L82 Y88 L92 F109 | Y79-P90 HydrophobicContact CD1-CB 4Å; Y79-P90 HydrophobicContact CD1-CG 3.69Å; Y79-P90 HydrophobicContact CE1-CB 3.51Å; Y79-P90 HydrophobicContact CE1-CG 3.76Å; Y79-P90 HydrophobicContact CG-CG 4.46Å; L82-P90 HydrophobicContact CB-CG 4.41Å; L82-P90 HydrophobicContact CD1-CG 4.16Å; Y88-P90 HydrophobicContact CD1-CG 4.49Å; Y88-P90 VanDerWaalsContact O-CD 3.31Å; Y88-P90 WeakPolarHBondContact O-CD 3.26Å; P90-L92 VanDerWaalsContact C-N 3.34Å; P90-F109 HydrophobicContact CB-CE2 3.93Å; P90-F109 HydrophobicContact CB-CZ 4.08Å | ||
| 91 | I | 92.8 | Very high | 96.1 | Very high | 75 Ų | 75 | 69 Ų | 69 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -80.4 | -15.9 | 177.6 | 58.8 | 163.6 | 0 | 0 | 0 | 113.4 | R105 F109 | I91-R105 HydrophobicContact CD1-CB 4.37Å; I91-R105 WeakPolarHBondContact CD1-O 3.11Å; I91-F109 HydrophobicContact CD1-CB 4.1Å; I91-F109 HydrophobicContact CG1-CB 4.08Å; I91-F109 HydrophobicContact CG1-CD2 4.24Å; I91-F109 HydrophobicContact CG1-CG 4.4Å |
| 92 | L | 95.3 | Very high | 96 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -116.2 | 154.1 | 176.3 | -68.6 | 173.7 | 0 | 0 | 0 | 109.5 | Y79 P90 Q96 F102 R105 K106 | Y79-L92 VanDerWaalsContact CE1-O 3.24Å; Y79-L92 WeakPolarHBondContact CE1-O 3.16Å; Y79-L92 PolarHBondContact OH-O 2.6Å; P90-L92 VanDerWaalsContact C-N 3.34Å; L92-Q96 HydrophobicContact CB-CB 4.3Å; L92-Q96 HydrophobicContact CD2-CB 4.1Å; L92-F102 HydrophobicContact CD2-CB 4.37Å; L92-F102 HydrophobicContact CD2-CD1 4.4Å; L92-R105 HydrophobicContact CD1-CB 4.18Å; L92-R105 HydrophobicContact CD2-CB 3.87Å; L92-R105 HydrophobicContact CG-CB 4.21Å; L92-K106 HydrophobicContact CD1-CB 4.28Å; L92-K106 HydrophobicContact CD1-CG 3.47Å; L92-K106 VanDerWaalsContact CD1-CG 3.47Å |
| 93 | T | 96.9 | Very high | 95.9 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | trans | -79.2 | 162.4 | 164.5 | 71.9 | 0 | 0 | 0 | 0 | 110.2 | Y79 E95 Q96 F97 | Y79-T93 VanDerWaalsContact OH-C 3.26Å; Y79-T93 PolarHBondContact OH-O 2.81Å; Y79-T93 VanDerWaalsContact OH-O 3.07Å; T93-E95 VanDerWaalsContact C-N 3.25Å; T93-E95 PolarHBondContact O-N 3Å; T93-Q96 PolarHBondContact O-N 3.25Å; T93-Q96 VanDerWaalsContact OG1-CG 3.27Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.38Å; T93-Q96 PolarHBondContact OG1-N 2.9Å; T93-Q96 VanDerWaalsContact OG1-N 3.17Å; T93-F97 PolarHBondContact O-N 2.88Å | ||
| 94 | K | 96.4 | Very high | 95.9 | Very high | 69 Ų | 69 | 71.3 Ų | 71.3 | 30% | 0.3 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.5 | -42.6 | 176.3 | -59.4 | 176 | -176 | 177.2 | 0 | 111.7 | T75 D76 Y79 F97 L98 | T75-K94 HydrophobicContact CG2-CB 4.09Å; T75-K94 HydrophobicContact CG2-CG 4.31Å; D76-K94 VanDerWaalsContact OD1-CD 3.28Å; D76-K94 WeakPolarHBondContact OD1-CD 3.4Å; D76-K94 WeakPolarHBondContact OD1-CE 3.32Å; D76-K94 IonicContact OD1-NZ 2.68Å; D76-K94 PolarHBondContact OD1-NZ 3.03Å; Y79-K94 HydrophobicContact CD1-CG 3.82Å; Y79-K94 HydrophobicContact CD2-CG 4Å; Y79-K94 HydrophobicContact CE1-CG 4Å; Y79-K94 HydrophobicContact CE2-CG 4.16Å; Y79-K94 HydrophobicContact CG-CG 3.82Å; K94-F97 WeakPolarHBondContact O-CB 3.38Å; K94-F97 PolarHBondContact O-N 3.24Å; K94-L98 PolarHBondContact O-N 3.37Å |
| 95 | E | 97 | Very high | 95.9 | Very high | 144 Ų | 144 | 73.2 Ų | 73.2 | 67% | 0.673 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63 | -48.1 | 176.9 | -67.6 | 169.8 | -166.8 | 0 | 0 | 111.1 | T93 F97 L98 Q99 | T93-E95 VanDerWaalsContact C-N 3.25Å; T93-E95 PolarHBondContact O-N 3Å; E95-F97 PolarHBondContact O-N 3.29Å; E95-L98 CarbonylContact O-C 3.53Å; E95-L98 PolarHBondContact O-N 2.83Å; E95-Q99 WeakPolarHBondContact O-CB 3.33Å; E95-Q99 VanDerWaalsContact O-CG 3.23Å; E95-Q99 WeakPolarHBondContact O-CG 3.39Å; E95-Q99 PolarHBondContact O-N 3.39Å |
| 96 | Q | 97.3 | Very high | 96 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 176.9 | -71.9 | 171.8 | -17.6 | 0 | 0 | 112.5 | L92 T93 F102 K106 | L92-Q96 HydrophobicContact CB-CB 4.3Å; L92-Q96 HydrophobicContact CD2-CB 4.1Å; T93-Q96 PolarHBondContact O-N 3.25Å; T93-Q96 VanDerWaalsContact OG1-CG 3.27Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.38Å; T93-Q96 PolarHBondContact OG1-N 2.9Å; T93-Q96 VanDerWaalsContact OG1-N 3.17Å; Q96-F102 HydrophobicContact CB-CD2 4.44Å; Q96-F102 HydrophobicContact CB-CE2 4.39Å; Q96-F102 HydrophobicContact CG-CE2 4.25Å; Q96-F102 HydrophobicContact CG-CZ 4.13Å; Q96-K106 WeakPolarHBondContact O-CE 3.39Å |
| 97 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 174.8 | -175 | -102.8 | 0 | 0 | 0 | 112.2 | F40 L41 T75 T93 K94 E95 K106 F109 I110 | F40-F97 HydrophobicContact CB-CE2 4.34Å; F40-F97 HydrophobicContact CB-CZ 4.06Å; L41-F97 HydrophobicContact CD2-CE1 3.82Å; L41-F97 HydrophobicContact CG-CE1 4.43Å; T75-F97 HydrophobicContact CG2-CD1 3.87Å; T93-F97 PolarHBondContact O-N 2.88Å; K94-F97 WeakPolarHBondContact O-CB 3.38Å; K94-F97 PolarHBondContact O-N 3.24Å; E95-F97 PolarHBondContact O-N 3.29Å; F97-K106 HydrophobicContact CD2-CG 4.36Å; F97-K106 VanDerWaalsContact O-CE 3.26Å; F97-K106 WeakPolarHBondContact O-CE 3.5Å; F97-K106 PolarHBondContact O-NZ 3.23Å; F97-F109 AromaticContact CD2-CD1 3.83Å; F97-F109 HydrophobicContact CD2-CD1 3.83Å; F97-F109 AromaticContact CD2-CE1 3.9Å; F97-F109 HydrophobicContact CD2-CE1 3.9Å; F97-F109 AromaticContact CE2-CD1 3.97Å; F97-F109 HydrophobicContact CE2-CD1 3.97Å; F97-F109 HydrophobicContact CE2-CE1 4.13Å; F97-I110 HydrophobicContact CE2-CD1 3.78Å; F97-I110 HydrophobicContact CZ-CD1 4.12Å |
| 98 | L | 97 | Very high | 96.1 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -87.1 | -11.3 | -179.8 | -68.4 | 175.1 | 0 | 0 | 0 | 114.4 | P37 D71 L72 T75 K94 E95 | P37-L98 HydrophobicContact CB-CD2 4.46Å; P37-L98 WeakPolarHBondContact CG-O 3.49Å; D71-L98 HydrophobicContact CB-CD2 4.22Å; L72-L98 HydrophobicContact CD1-CD1 3.87Å; T75-L98 HydrophobicContact CG2-CD1 4.35Å; T75-L98 HydrophobicContact CG2-CG 4.32Å; T75-L98 WeakPolarHBondContact OG1-CD2 3.26Å; K94-L98 PolarHBondContact O-N 3.37Å; E95-L98 CarbonylContact O-C 3.53Å; E95-L98 PolarHBondContact O-N 2.83Å |
| 99 | Q | 96.2 | Very high | 96.1 | Very high | 101 Ų | 101 | 61.5 Ų | 61.5 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -84.9 | 149.1 | 175.5 | -79.1 | 175 | -26.8 | 0 | 0 | 111.9 | E95 K106 | E95-Q99 WeakPolarHBondContact O-CB 3.33Å; E95-Q99 VanDerWaalsContact O-CG 3.23Å; E95-Q99 WeakPolarHBondContact O-CG 3.39Å; E95-Q99 PolarHBondContact O-N 3.39Å; Q99-K106 PolarHBondContact O-NZ 3.07Å |
| 100 | W | 96.1 | Very high | 96.2 | Very high | 167 Ų | 167 | 52.8 Ų | 52.8 | 63% | 0.633 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -59.7 | 149.2 | 169.9 | -86.2 | 51.5 | 0 | 0 | 0 | 112.2 | K34 D36 | K34-W100 HydrophobicContact CB-CZ3 4.47Å; K34-W100 HydrophobicContact CD-CZ3 4.34Å; D36-W100 HydrophobicContact CB-CZ2 4.1Å |
| 101 | G | 96.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 25% | 0.247 | 25% | 0.246 | C | C | . | . | trans | 93.3 | -159.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K34 G35 S103 K106 | K34-G101 WeakPolarHBondContact O-CA 3.18Å; K34-G101 PolarHBondContact O-N 3.15Å; G35-G101 VanDerWaalsContact CA-O 3.31Å; G35-G101 WeakPolarHBondContact CA-O 3.49Å; G35-G101 PolarHBondContact O-N 2.83Å; G101-S103 PolarHBondContact O-N 3.17Å; G101-K106 WeakPolarHBondContact O-CE 3.46Å | ||
| 102 | F | 95.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | trans | 53.3 | 25.6 | -174.6 | -55.8 | -85.1 | 0 | 0 | 0 | 114.6 | L92 Q96 Q104 R105 K106 | L92-F102 HydrophobicContact CD2-CB 4.37Å; L92-F102 HydrophobicContact CD2-CD1 4.4Å; Q96-F102 HydrophobicContact CB-CD2 4.44Å; Q96-F102 HydrophobicContact CB-CE2 4.39Å; Q96-F102 HydrophobicContact CG-CE2 4.25Å; Q96-F102 HydrophobicContact CG-CZ 4.13Å; F102-Q104 PolarHBondContact O-N 3.39Å; F102-R105 PolarHBondContact O-N 2.95Å; F102-K106 HydrophobicContact CB-CG 4.31Å; F102-K106 WeakPolarHBondContact O-CG 3.46Å; F102-K106 PolarHBondContact O-N 3.13Å | ||
| 103 | S | 96.1 | Very high | 96.8 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -50.8 | -52.7 | -168.4 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | L32 S33 G101 R105 K106 I107 | L32-S103 WeakPolarHBondContact O-CB 3.44Å; S33-S103 WeakPolarHBondContact O-CB 3.38Å; S33-S103 PolarHBondContact O-OG 3.5Å; S33-S103 VanDerWaalsContact O-OG 3.1Å; G101-S103 PolarHBondContact O-N 3.17Å; S103-R105 VanDerWaalsContact C-N 3.32Å; S103-R105 PolarHBondContact O-N 2.8Å; S103-K106 PolarHBondContact O-N 2.63Å; S103-K106 VanDerWaalsContact O-N 3.17Å; S103-I107 WeakPolarHBondContact O-CB 3.37Å; S103-I107 WeakPolarHBondContact O-CD1 3.45Å; S103-I107 WeakPolarHBondContact O-CG1 3.41Å; S103-I107 PolarHBondContact O-N 3.18Å |
| 104 | Q | 95.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 179.4 | -169.6 | -173.1 | -12.8 | 0 | 0 | 113 | G5 V7 F102 S108 | G5-Q104 PolarHBondContact O-NE2 3.23Å; V7-Q104 HydrophobicContact CG2-CB 3.97Å; F102-Q104 PolarHBondContact O-N 3.39Å; Q104-S108 WeakPolarHBondContact O-CB 3.41Å; Q104-S108 PolarHBondContact O-N 2.68Å; Q104-S108 PolarHBondContact O-OG 3.01Å |
| 105 | R | 95.7 | Very high | 96.9 | Very high | 135 Ų | 135 | 47 Ų | 47 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.3 | -41 | 179.7 | -65.4 | -174.4 | -170.7 | 174.1 | 3.4 | 110.5 | I91 L92 F102 S103 S108 F109 | I91-R105 HydrophobicContact CD1-CB 4.37Å; I91-R105 WeakPolarHBondContact CD1-O 3.11Å; L92-R105 HydrophobicContact CD1-CB 4.18Å; L92-R105 HydrophobicContact CD2-CB 3.87Å; L92-R105 HydrophobicContact CG-CB 4.21Å; F102-R105 PolarHBondContact O-N 2.95Å; S103-R105 VanDerWaalsContact C-N 3.32Å; S103-R105 PolarHBondContact O-N 2.8Å; R105-S108 PolarHBondContact O-N 3Å; R105-F109 VanDerWaalsContact O-CB 3.26Å; R105-F109 WeakPolarHBondContact O-CB 3.4Å; R105-F109 PolarHBondContact O-N 3.17Å |
| 106 | K | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 176.2 | -69.2 | -176.1 | -175.2 | -166.7 | 0 | 112.1 | G35 F40 L92 Q96 F97 Q99 G101 F102 S103 S108 F109 I110 | G35-K106 PolarHBondContact O-NZ 3.41Å; F40-K106 HydrophobicContact CD1-CB 4.26Å; F40-K106 HydrophobicContact CD2-CB 4.46Å; F40-K106 HydrophobicContact CD2-CD 4.02Å; F40-K106 HydrophobicContact CE1-CB 3.74Å; F40-K106 HydrophobicContact CE2-CB 4.03Å; F40-K106 HydrophobicContact CE2-CD 3.71Å; F40-K106 HydrophobicContact CZ-CB 3.63Å; F40-K106 HydrophobicContact CZ-CD 4.15Å; L92-K106 HydrophobicContact CD1-CB 4.28Å; L92-K106 HydrophobicContact CD1-CG 3.47Å; L92-K106 VanDerWaalsContact CD1-CG 3.47Å; Q96-K106 WeakPolarHBondContact O-CE 3.39Å; F97-K106 HydrophobicContact CD2-CG 4.36Å; F97-K106 VanDerWaalsContact O-CE 3.26Å; F97-K106 WeakPolarHBondContact O-CE 3.5Å; F97-K106 PolarHBondContact O-NZ 3.23Å; Q99-K106 PolarHBondContact O-NZ 3.07Å; G101-K106 WeakPolarHBondContact O-CE 3.46Å; F102-K106 HydrophobicContact CB-CG 4.31Å; F102-K106 WeakPolarHBondContact O-CG 3.46Å; F102-K106 PolarHBondContact O-N 3.13Å; S103-K106 PolarHBondContact O-N 2.63Å; S103-K106 VanDerWaalsContact O-N 3.17Å; K106-S108 VanDerWaalsContact C-N 3.29Å; K106-S108 PolarHBondContact O-N 2.92Å; K106-F109 WeakPolarHBondContact O-CB 3.31Å; K106-F109 PolarHBondContact O-N 3.27Å; K106-F109 VanDerWaalsContact O-N 3.15Å; K106-I110 WeakPolarHBondContact O-CG1 3.46Å; K106-I110 PolarHBondContact O-N 3.07Å |
| 107 | I | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 176.5 | -63.1 | 158.5 | 0 | 0 | 0 | 110 | V7 C10 L11 L14 F40 S103 F109 I110 C111 | V7-I107 HydrophobicContact CG1-CD1 3.78Å; C10-I107 HydrophobicContact CB-CB 4.12Å; C10-I107 HydrophobicContact CB-CG2 3.57Å; C10-I107 WeakPolarHBondContact O-CG2 3.42Å; L11-I107 HydrophobicContact CD2-CD1 3.56Å; L11-I107 HydrophobicContact CD2-CG1 4.08Å; L11-I107 HydrophobicContact CG-CD1 3.88Å; L14-I107 HydrophobicContact CB-CG2 3.99Å; L14-I107 HydrophobicContact CD2-CG2 4.09Å; F40-I107 HydrophobicContact CE1-CG1 3.72Å; F40-I107 HydrophobicContact CZ-CG1 4.03Å; S103-I107 WeakPolarHBondContact O-CB 3.37Å; S103-I107 WeakPolarHBondContact O-CD1 3.45Å; S103-I107 WeakPolarHBondContact O-CG1 3.41Å; S103-I107 PolarHBondContact O-N 3.18Å; I107-F109 VanDerWaalsContact C-N 3.34Å; I107-F109 PolarHBondContact O-N 3.08Å; I107-I110 PolarHBondContact O-N 3.4Å; I107-C111 PolarHBondContact O-N 3.42Å; I107-C111 PolarHBondContact O-SG 3.42Å |
| 108 | S | 96.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | Q104 R105 K106 I110 C111 D112 | Q104-S108 WeakPolarHBondContact O-CB 3.41Å; Q104-S108 PolarHBondContact O-N 2.68Å; Q104-S108 PolarHBondContact O-OG 3.01Å; R105-S108 PolarHBondContact O-N 3Å; K106-S108 VanDerWaalsContact C-N 3.29Å; K106-S108 PolarHBondContact O-N 2.92Å; S108-I110 PolarHBondContact O-N 3.28Å; S108-C111 WeakPolarHBondContact O-CB 3.46Å; S108-C111 PolarHBondContact O-N 2.86Å; S108-D112 PolarHBondContact O-N 3.32Å |
| 109 | F | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 176.8 | -179.3 | -132.4 | 0 | 0 | 0 | 112.1 | Y79 L82 Y88 P90 I91 F97 R105 K106 I107 D112 I113 | Y79-F109 HydrophobicContact CE2-CE1 4.22Å; Y79-F109 HydrophobicContact CE2-CZ 4.17Å; L82-F109 HydrophobicContact CD1-CE2 3.6Å; L82-F109 HydrophobicContact CD1-CZ 3.42Å; L82-F109 VanDerWaalsContact CD1-CZ 3.42Å; Y88-F109 HydrophobicContact CD1-CE2 4.5Å; Y88-F109 HydrophobicContact CE1-CD2 4.03Å; Y88-F109 AromaticContact CE1-CE2 3.79Å; Y88-F109 HydrophobicContact CE1-CE2 3.79Å; P90-F109 HydrophobicContact CB-CE2 3.93Å; P90-F109 HydrophobicContact CB-CZ 4.08Å; I91-F109 HydrophobicContact CD1-CB 4.1Å; I91-F109 HydrophobicContact CG1-CB 4.08Å; I91-F109 HydrophobicContact CG1-CD2 4.24Å; I91-F109 HydrophobicContact CG1-CG 4.4Å; F97-F109 AromaticContact CD2-CD1 3.83Å; F97-F109 HydrophobicContact CD2-CD1 3.83Å; F97-F109 AromaticContact CD2-CE1 3.9Å; F97-F109 HydrophobicContact CD2-CE1 3.9Å; F97-F109 AromaticContact CE2-CD1 3.97Å; F97-F109 HydrophobicContact CE2-CD1 3.97Å; F97-F109 HydrophobicContact CE2-CE1 4.13Å; R105-F109 VanDerWaalsContact O-CB 3.26Å; R105-F109 WeakPolarHBondContact O-CB 3.4Å; R105-F109 PolarHBondContact O-N 3.17Å; K106-F109 WeakPolarHBondContact O-CB 3.31Å; K106-F109 PolarHBondContact O-N 3.27Å; K106-F109 VanDerWaalsContact O-N 3.15Å; I107-F109 VanDerWaalsContact C-N 3.34Å; I107-F109 PolarHBondContact O-N 3.08Å; F109-D112 WeakPolarHBondContact O-CB 3.37Å; F109-D112 PolarHBondContact O-N 3.39Å; F109-I113 HydrophobicContact CD1-CD1 4.14Å; F109-I113 HydrophobicContact CD2-CD1 4.29Å; F109-I113 HydrophobicContact CE1-CD1 3.92Å; F109-I113 HydrophobicContact CE2-CD1 4.06Å; F109-I113 HydrophobicContact CE2-CG1 4.32Å; F109-I113 HydrophobicContact CG-CD1 4.33Å; F109-I113 HydrophobicContact CZ-CD1 3.89Å; F109-I113 VanDerWaalsContact O-CG1 3.32Å; F109-I113 WeakPolarHBondContact O-CG1 3.04Å; F109-I113 PolarHBondContact O-N 3.09Å |
| 110 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 175.2 | -61.2 | -31.5 | 0 | 0 | 0 | 111.3 | L14 F40 I43 V44 F97 K106 I107 S108 D112 I113 I114 | L14-I110 HydrophobicContact CD1-CB 4.42Å; L14-I110 HydrophobicContact CD1-CG2 3.76Å; F40-I110 HydrophobicContact CB-CD1 4.48Å; F40-I110 HydrophobicContact CB-CG1 4.28Å; F40-I110 HydrophobicContact CD1-CD1 4.47Å; F40-I110 HydrophobicContact CD1-CG1 3.55Å; F40-I110 HydrophobicContact CE1-CG1 4.36Å; F40-I110 HydrophobicContact CG-CG1 4.31Å; I43-I110 HydrophobicContact CG2-CG2 3.75Å; V44-I110 HydrophobicContact CG2-CD1 3.31Å; V44-I110 HydrophobicContact CG2-CG1 4.21Å; F97-I110 HydrophobicContact CE2-CD1 3.78Å; F97-I110 HydrophobicContact CZ-CD1 4.12Å; K106-I110 WeakPolarHBondContact O-CG1 3.46Å; K106-I110 PolarHBondContact O-N 3.07Å; I107-I110 PolarHBondContact O-N 3.4Å; S108-I110 PolarHBondContact O-N 3.28Å; I110-D112 PolarHBondContact O-N 2.99Å; I110-I113 HydrophobicContact CD1-CD1 3.91Å; I110-I113 PolarHBondContact O-N 3.47Å; I110-I114 HydrophobicContact CG2-CD1 3.89Å; I110-I114 HydrophobicContact CG2-CG1 4.34Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.99Å |
| 111 | C | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.2 | -42.7 | 173.9 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | L17 I107 S108 I114 N115 | L17-C111 HydrophobicContact CD1-CB 3.76Å; I107-C111 PolarHBondContact O-N 3.42Å; I107-C111 PolarHBondContact O-SG 3.42Å; S108-C111 WeakPolarHBondContact O-CB 3.46Å; S108-C111 PolarHBondContact O-N 2.86Å; C111-I114 PolarHBondContact O-N 3.33Å; C111-N115 PolarHBondContact O-N 3.06Å; C111-N115 VanDerWaalsContact O-N 3.08Å; C111-N115 PolarHBondContact O-ND2 3.12Å |
| 112 | D | 97.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 177.7 | -71.1 | -8.7 | 0 | 0 | 0 | 111.1 | Y88 S108 F109 I110 I114 N115 L116 | Y88-D112 HydrophobicContact CE2-CB 4.26Å; Y88-D112 PolarHBondContact OH-OD2 3.22Å; S108-D112 PolarHBondContact O-N 3.32Å; F109-D112 WeakPolarHBondContact O-CB 3.37Å; F109-D112 PolarHBondContact O-N 3.39Å; I110-D112 PolarHBondContact O-N 2.99Å; D112-I114 PolarHBondContact O-N 3.18Å; D112-N115 PolarHBondContact O-N 3.05Å; D112-L116 VanDerWaalsContact O-CG 3.28Å; D112-L116 WeakPolarHBondContact O-CG 3.11Å; D112-L116 PolarHBondContact O-N 3.44Å |
| 113 | I | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 176.8 | -65.9 | 165.2 | 0 | 0 | 0 | 111 | V44 L78 L82 F109 I110 N115 L116 V117 | V44-I113 HydrophobicContact CG2-CD1 4.39Å; L78-I113 HydrophobicContact CD1-CD1 4.19Å; L78-I113 HydrophobicContact CD2-CD1 4.46Å; L82-I113 HydrophobicContact CD1-CD1 4.37Å; L82-I113 HydrophobicContact CD1-CG1 4.36Å; L82-I113 HydrophobicContact CD2-CG1 3.98Å; F109-I113 HydrophobicContact CD1-CD1 4.14Å; F109-I113 HydrophobicContact CD2-CD1 4.29Å; F109-I113 HydrophobicContact CE1-CD1 3.92Å; F109-I113 HydrophobicContact CE2-CD1 4.06Å; F109-I113 HydrophobicContact CE2-CG1 4.32Å; F109-I113 HydrophobicContact CG-CD1 4.33Å; F109-I113 HydrophobicContact CZ-CD1 3.89Å; F109-I113 VanDerWaalsContact O-CG1 3.32Å; F109-I113 WeakPolarHBondContact O-CG1 3.04Å; F109-I113 PolarHBondContact O-N 3.09Å; I110-I113 HydrophobicContact CD1-CD1 3.91Å; I110-I113 PolarHBondContact O-N 3.47Å; I113-N115 VanDerWaalsContact C-N 3.32Å; I113-N115 PolarHBondContact O-N 3.27Å; I113-L116 PolarHBondContact O-N 3.37Å; I113-V117 WeakPolarHBondContact O-CG2 3.27Å; I113-V117 PolarHBondContact O-N 3.24Å |
| 114 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 179.5 | -65.2 | 166.5 | 0 | 0 | 0 | 110.9 | L14 L17 L18 I21 I43 T47 I110 C111 D112 V117 L118 | L14-I114 HydrophobicContact CD1-CD1 3.67Å; L17-I114 HydrophobicContact CB-CD1 4.21Å; L17-I114 HydrophobicContact CB-CG2 3.99Å; L17-I114 HydrophobicContact CD1-CB 4.49Å; L17-I114 HydrophobicContact CD2-CG2 4.44Å; L18-I114 HydrophobicContact CD2-CD1 3.99Å; I21-I114 HydrophobicContact CD1-CD1 4.29Å; I21-I114 HydrophobicContact CD1-CG1 4.29Å; I21-I114 HydrophobicContact CD1-CG2 4.28Å; I21-I114 HydrophobicContact CG2-CG2 3.65Å; I43-I114 HydrophobicContact CG2-CD1 4.27Å; T47-I114 HydrophobicContact CG2-CB 4.44Å; T47-I114 HydrophobicContact CG2-CG1 3.98Å; I110-I114 HydrophobicContact CG2-CD1 3.89Å; I110-I114 HydrophobicContact CG2-CG1 4.34Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.99Å; C111-I114 PolarHBondContact O-N 3.33Å; D112-I114 PolarHBondContact O-N 3.18Å; I114-V117 PolarHBondContact O-N 2.97Å; I114-L118 HydrophobicContact CG2-CD1 3.84Å; I114-L118 HydrophobicContact CG2-CG 4.34Å; I114-L118 WeakPolarHBondContact O-CB 3.32Å; I114-L118 WeakPolarHBondContact O-CG 3.02Å; I114-L118 PolarHBondContact O-N 2.88Å |
| 115 | N | 98.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 178.9 | -76.8 | -60.5 | 0 | 0 | 0 | 112.8 | C111 D112 I113 V117 L118 Q119 | C111-N115 PolarHBondContact O-N 3.06Å; C111-N115 VanDerWaalsContact O-N 3.08Å; C111-N115 PolarHBondContact O-ND2 3.12Å; D112-N115 PolarHBondContact O-N 3.05Å; I113-N115 VanDerWaalsContact C-N 3.32Å; I113-N115 PolarHBondContact O-N 3.27Å; N115-V117 VanDerWaalsContact C-N 3.34Å; N115-V117 PolarHBondContact O-N 3.2Å; N115-L118 PolarHBondContact O-N 3.22Å; N115-Q119 WeakPolarHBondContact O-CB 3.48Å; N115-Q119 PolarHBondContact O-N 2.85Å |
| 116 | L | 97.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 175.5 | -73.3 | 170.3 | 0 | 0 | 0 | 110.9 | L82 F86 Y88 D112 I113 Q119 R120 | L82-L116 HydrophobicContact CD2-CD1 4.16Å; F86-L116 HydrophobicContact CB-CD1 4.22Å; F86-L116 HydrophobicContact CB-CD2 4.43Å; F86-L116 HydrophobicContact CD1-CB 3.77Å; F86-L116 HydrophobicContact CD1-CD2 4.16Å; F86-L116 HydrophobicContact CD1-CG 4.38Å; F86-L116 HydrophobicContact CE1-CB 3.78Å; F86-L116 WeakPolarHBondContact CE1-O 3.48Å; F86-L116 HydrophobicContact CG-CB 4.22Å; F86-L116 HydrophobicContact CG-CD1 4.27Å; F86-L116 HydrophobicContact CZ-CB 4.24Å; Y88-L116 HydrophobicContact CD1-CD1 4.43Å; Y88-L116 HydrophobicContact CD2-CD1 3.92Å; Y88-L116 HydrophobicContact CG-CD1 3.84Å; D112-L116 VanDerWaalsContact O-CG 3.28Å; D112-L116 WeakPolarHBondContact O-CG 3.11Å; D112-L116 PolarHBondContact O-N 3.44Å; I113-L116 PolarHBondContact O-N 3.37Å; L116-Q119 PolarHBondContact O-N 2.93Å; L116-R120 PolarHBondContact O-N 3.2Å |
| 117 | V | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | T47 L48 F51 F55 F86 I113 I114 N115 Q119 R120 H121 | T47-V117 HydrophobicContact CG2-CB 3.98Å; T47-V117 HydrophobicContact CG2-CG1 4.23Å; T47-V117 HydrophobicContact CG2-CG2 3.98Å; L48-V117 HydrophobicContact CD2-CG2 3.62Å; F51-V117 HydrophobicContact CD1-CG1 3.81Å; F51-V117 HydrophobicContact CE1-CG1 4.19Å; F55-V117 HydrophobicContact CD1-CG1 3.99Å; F55-V117 HydrophobicContact CE1-CG1 4.29Å; F55-V117 HydrophobicContact CE1-CG2 4.02Å; F86-V117 HydrophobicContact CE2-CG2 4.28Å; F86-V117 HydrophobicContact CZ-CG2 3.81Å; I113-V117 WeakPolarHBondContact O-CG2 3.27Å; I113-V117 PolarHBondContact O-N 3.24Å; I114-V117 PolarHBondContact O-N 2.97Å; N115-V117 VanDerWaalsContact C-N 3.34Å; N115-V117 PolarHBondContact O-N 3.2Å; V117-Q119 VanDerWaalsContact C-N 3.29Å; V117-Q119 PolarHBondContact O-N 2.98Å; V117-R120 PolarHBondContact O-N 3.1Å; V117-R120 VanDerWaalsContact O-N 3.14Å; V117-H121 WeakPolarHBondContact O-CB 3.37Å; V117-H121 PolarHBondContact O-N 2.89Å |
| 118 | L | 96.7 | Very high | 90.5 | Very high | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -44.1 | 173.6 | -84.9 | 167.7 | 0 | 0 | 0 | 111.9 | L17 V20 I21 F51 I114 N115 K122 | L17-L118 HydrophobicContact CD2-CD1 4.32Å; V20-L118 HydrophobicContact CG1-CD1 3.97Å; V20-L118 HydrophobicContact CG1-CD2 3.88Å; I21-L118 HydrophobicContact CG2-CD1 4.2Å; I21-L118 HydrophobicContact CG2-CD2 4.05Å; I21-L118 HydrophobicContact CG2-CG 4.04Å; F51-L118 HydrophobicContact CE1-CD2 3.88Å; F51-L118 HydrophobicContact CE1-CG 4.26Å; F51-L118 HydrophobicContact CE2-CD2 4.39Å; F51-L118 HydrophobicContact CZ-CD2 3.45Å; F51-L118 VanDerWaalsContact CZ-CD2 3.45Å; F51-L118 HydrophobicContact CZ-CG 4.29Å; I114-L118 HydrophobicContact CG2-CD1 3.84Å; I114-L118 HydrophobicContact CG2-CG 4.34Å; I114-L118 WeakPolarHBondContact O-CB 3.32Å; I114-L118 WeakPolarHBondContact O-CG 3.02Å; I114-L118 PolarHBondContact O-N 2.88Å; N115-L118 PolarHBondContact O-N 3.22Å; L118-K122 VanDerWaalsContact O-CG 3.31Å; L118-K122 WeakPolarHBondContact O-CG 3.42Å; L118-K122 PolarHBondContact O-N 3.02Å; L118-K122 VanDerWaalsContact O-N 3.12Å |
| 119 | Q | 95.6 | Very high | 88.3 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 176.5 | -175.2 | 178.4 | 0.6 | 0 | 0 | 110.9 | N115 L116 V117 K122 Q123 | N115-Q119 WeakPolarHBondContact O-CB 3.48Å; N115-Q119 PolarHBondContact O-N 2.85Å; L116-Q119 PolarHBondContact O-N 2.93Å; V117-Q119 VanDerWaalsContact C-N 3.29Å; V117-Q119 PolarHBondContact O-N 2.98Å; Q119-K122 PolarHBondContact O-N 3.07Å; Q119-Q123 WeakPolarHBondContact O-CG 3.49Å; Q119-Q123 PolarHBondContact O-N 3.35Å; Q119-Q123 VanDerWaalsContact O-N 3.14Å |
| 120 | R | 95.1 | Very high | 86 | Confident | 83 Ų | 83 | 77.9 Ų | 77.9 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 179.1 | -173.7 | 63 | 179.3 | -176.3 | 4.8 | 112.3 | F55 Q58 F86 L116 V117 K122 Q123 L124 | F55-R120 HydrophobicContact CD2-CB 4.48Å; F55-R120 HydrophobicContact CD2-CG 3.54Å; F55-R120 HydrophobicContact CE2-CG 3.74Å; F55-R120 HydrophobicContact CG-CG 4.34Å; Q58-R120 VanDerWaalsContact CD-NH2 3.32Å; Q58-R120 VanDerWaalsContact OE1-NE 3.1Å; F86-R120 HydrophobicContact CE1-CB 3.88Å; F86-R120 HydrophobicContact CE1-CG 4.39Å; F86-R120 HydrophobicContact CZ-CB 4.38Å; L116-R120 PolarHBondContact O-N 3.2Å; V117-R120 PolarHBondContact O-N 3.1Å; V117-R120 VanDerWaalsContact O-N 3.14Å; R120-K122 VanDerWaalsContact C-N 3.3Å; R120-K122 PolarHBondContact O-N 3.46Å; R120-Q123 PolarHBondContact O-N 2.83Å; R120-L124 HydrophobicContact CG-CD1 4.23Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CG 3.07Å; R120-L124 PolarHBondContact O-N 3.35Å |
| 121 | H | 95.1 | Very high | 83.8 | Confident | 50 Ų | 50 | 87.2 Ų | 87.2 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -53.6 | -47.9 | 174.3 | 177.5 | 75 | 0 | 0 | 0 | 111.1 | F51 S52 V117 Q123 L124 H125 | F51-H121 HydrophobicContact CE1-CB 4.11Å; S52-H121 VanDerWaalsContact CB-ND1 3.33Å; S52-H121 WeakPolarHBondContact CB-ND1 3.44Å; S52-H121 PolarHBondContact OG-ND1 3.39Å; V117-H121 WeakPolarHBondContact O-CB 3.37Å; V117-H121 PolarHBondContact O-N 2.89Å; H121-Q123 VanDerWaalsContact C-N 3.29Å; H121-Q123 PolarHBondContact O-N 2.9Å; H121-L124 PolarHBondContact O-N 2.84Å; H121-H125 WeakPolarHBondContact O-CB 3.38Å; H121-H125 PolarHBondContact O-N 3.13Å |
| 122 | K | 93.4 | Very high | 81.3 | Confident | 138 Ų | 138 | 92.9 Ų | 92.9 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61 | -33.4 | 175.8 | -69.9 | 173.3 | -175.8 | -176.9 | 0 | 113.4 | L118 Q119 R120 K126 | L118-K122 VanDerWaalsContact O-CG 3.31Å; L118-K122 WeakPolarHBondContact O-CG 3.42Å; L118-K122 PolarHBondContact O-N 3.02Å; L118-K122 VanDerWaalsContact O-N 3.12Å; Q119-K122 PolarHBondContact O-N 3.07Å; R120-K122 VanDerWaalsContact C-N 3.3Å; R120-K122 PolarHBondContact O-N 3.46Å; K122-K126 WeakPolarHBondContact O-CG 3.12Å; K122-K126 PolarHBondContact O-N 3.24Å |
| 123 | Q | 92.4 | Very high | 78.8 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 44% | 0.444 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 177 | -61.8 | -64.3 | 7.8 | 0 | 0 | 112.4 | Q119 R120 H121 | Q119-Q123 WeakPolarHBondContact O-CG 3.49Å; Q119-Q123 PolarHBondContact O-N 3.35Å; Q119-Q123 VanDerWaalsContact O-N 3.14Å; R120-Q123 PolarHBondContact O-N 2.83Å; H121-Q123 VanDerWaalsContact C-N 3.29Å; H121-Q123 PolarHBondContact O-N 2.9Å |
| 124 | L | 88.5 | Confident | 76.4 | Confident | 66 Ų | 66 | 106.2 Ų | 106.2 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.3 | -29.6 | 177.8 | -64.1 | 176.4 | 0 | 0 | 0 | 112.1 | P54 F55 R120 H121 | P54-L124 HydrophobicContact CB-CD1 4.27Å; F55-L124 HydrophobicContact CB-CD1 3.95Å; F55-L124 HydrophobicContact CD2-CD1 4.33Å; R120-L124 HydrophobicContact CG-CD1 4.23Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CG 3.07Å; R120-L124 PolarHBondContact O-N 3.35Å; H121-L124 PolarHBondContact O-N 2.84Å |
| 125 | H | 79.3 | Confident | 73.9 | Confident | 138 Ų | 138 | 112.9 Ų | 112.9 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.3 | -179.1 | -149.5 | -74.8 | 0 | 0 | 0 | 114.1 | H121 P127 | H121-H125 WeakPolarHBondContact O-CB 3.38Å; H121-H125 PolarHBondContact O-N 3.13Å; H125-P127 WeakPolarHBondContact O-CD 3.48Å |
| 126 | K | 73.6 | Confident | 71.3 | Confident | 122 Ų | 122 | 117 Ų | 117 | 53% | 0.53 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -72.5 | 123.2 | 170.2 | -78.3 | 168.8 | -172.2 | 177.4 | 0 | 108.5 | K122 K128 | K122-K126 WeakPolarHBondContact O-CG 3.12Å; K122-K126 PolarHBondContact O-N 3.24Å; K126-K128 PolarHBondContact O-N 3.33Å |
| 127 | P | 58.8 | Low | 69.1 | Low | 109 Ų | 109 | 120.9 Ų | 120.9 | 71% | 0.708 | 58% | 0.579 | S | S | * | * | trans | -58.7 | 127.1 | 171.3 | 24.1 | -30.5 | 0 | 0 | 0 | 107.6 | H125 V129 | H125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-V129 PolarHBondContact O-N 3.05Å | ||
| 128 | K | 55.7 | Low | 66.5 | Low | 203 Ų | 203 | 130.2 Ų | 130.2 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | trans | -60.1 | 93.6 | 169.6 | -76.4 | 178.1 | 178.8 | 175.6 | 0 | 107 | K126 R130 | K126-K128 PolarHBondContact O-N 3.33Å; K128-R130 VanDerWaalsContact C-N 3.31Å; K128-R130 PolarHBondContact O-N 3.4Å | ||
| 129 | V | 50.9 | Low | 63.9 | Low | 105 Ų | 105 | 136.9 Ų | 136.9 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | trans | -62.9 | 102.3 | 165.8 | 178.6 | 0 | 0 | 0 | 0 | 105.1 | P127 Y131 | P127-V129 PolarHBondContact O-N 3.05Å; V129-Y131 PolarHBondContact O-N 2.84Å | ||
| 130 | R | 48.5 | Very low | 61.5 | Low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.879 | 66% | 0.657 | S | S | * | * | trans | -60.2 | 106.2 | 168.1 | -76.9 | -177.3 | 175.5 | 179.1 | -1 | 106 | K128 | K128-R130 VanDerWaalsContact C-N 3.31Å; K128-R130 PolarHBondContact O-N 3.4Å | ||
| 131 | Y | 50.5 | Low | 59 | Low | 197 Ų | 197 | 142.3 Ų | 142.3 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -58.5 | 126.8 | 159 | -57.6 | -81.7 | 0 | 0 | 0 | 106.5 | V129 T133 | V129-Y131 PolarHBondContact O-N 2.84Å; Y131-T133 PolarHBondContact O-N 3.01Å | ||
| 132 | P | 46.2 | Very low | 56.8 | Low | 120 Ų | 120 | 147.9 Ų | 147.9 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | trans | -62.8 | 111.5 | 175.2 | 24 | -30.6 | 0 | 0 | 0 | 108.1 | K134 | P132-K134 PolarHBondContact O-N 3.16Š| ||
| 133 | T | 45.3 | Very low | 54.2 | Low | 132 Ų | 132 | 148.7 Ų | 148.7 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -51.7 | 110.9 | 169 | -55.9 | 0 | 0 | 0 | 0 | 108.1 | Y131 H135 | Y131-T133 PolarHBondContact O-N 3.01Å; T133-H135 VanDerWaalsContact C-N 3.27Å; T133-H135 PolarHBondContact O-N 3.02Å | ||
| 134 | K | 46.8 | Very low | 51.4 | Low | 204 Ų | 204 | 150 Ų | 150 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -66.1 | 91.9 | 168.7 | -73 | -175 | 179.8 | -179 | 0 | 108 | P132 N136 | P132-K134 PolarHBondContact O-N 3.16Å; K134-N136 PolarHBondContact O-N 3.34Å | ||
| 135 | H | 46.8 | Very low | 49.3 | Very low | 140 Ų | 140 | 154.5 Ų | 154.5 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 102 | 165.3 | 175.2 | -87.4 | 0 | 0 | 0 | 108 | T133 I137 | T133-H135 VanDerWaalsContact C-N 3.27Å; T133-H135 PolarHBondContact O-N 3.02Å; H135-I137 VanDerWaalsContact CE1-CB 3.46Å; H135-I137 WeakPolarHBondContact CE1-CB 3.26Å; H135-I137 WeakPolarHBondContact CE1-CD1 3.42Å; H135-I137 WeakPolarHBondContact CE1-CG1 3.41Å; H135-I137 WeakPolarHBondContact NE2-CD1 3.35Å; H135-I137 VanDerWaalsContact NE2-CG1 3.28Å; H135-I137 WeakPolarHBondContact NE2-CG1 3.34Å | ||
| 136 | N | 43.9 | Very low | 47.1 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -102.1 | 90.3 | 164.2 | -152 | -63.9 | 0 | 0 | 0 | 108.4 | K134 | K134-N136 PolarHBondContact O-N 3.34Š| ||
| 137 | I | 49.6 | Very low | 45.4 | Very low | 114 Ų | 114 | 156.5 Ų | 156.5 | 59% | 0.585 | 78% | 0.782 | S | S | * | * | trans | -80.1 | 147.2 | 155.9 | -84.8 | -175.8 | 0 | 0 | 0 | 107.6 | H135 | H135-I137 VanDerWaalsContact CE1-CB 3.46Å; H135-I137 WeakPolarHBondContact CE1-CB 3.26Å; H135-I137 WeakPolarHBondContact CE1-CD1 3.42Å; H135-I137 WeakPolarHBondContact CE1-CG1 3.41Å; H135-I137 WeakPolarHBondContact NE2-CD1 3.35Å; H135-I137 VanDerWaalsContact NE2-CG1 3.28Å; H135-I137 WeakPolarHBondContact NE2-CG1 3.34Å | ||
| 138 | R | 44.7 | Very low | 44.5 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | 88.2 | 125.8 | 161.7 | -106.9 | -174.2 | 153.6 | 177.5 | -4.2 | 114.9 | ||||
| 139 | K | 41.9 | Very low | 43.7 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | cis | -151.2 | 145 | 20.9 | -78 | 172 | -179.3 | 176.1 | 0 | 110.3 | ||||
| 140 | K | 44.3 | Very low | 43.4 | Very low | 202 Ų | 202 | 154.8 Ų | 154.8 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 130.9 | 153.7 | -98.3 | 171.4 | 171.1 | 175.4 | 0 | 109.2 | ||||
| 141 | S | 42.9 | Very low | 42.8 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -136.3 | 125.2 | 152.7 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 142 | H | 48.1 | Very low | 42.2 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 163.7 | 173.7 | -83.9 | -104.9 | 0 | 0 | 0 | 112.6 | ||||
| 143 | L | 39.6 | Very low | 42 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 133.5 | 96.2 | 152.5 | -69.5 | 167.3 | 0 | 0 | 0 | 110.6 | ||||
| 144 | T | 34.6 | Very low | 41.8 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 64.1 | 100.4 | 95.8 | 58.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 145 | L | 42.7 | Very low | 41.7 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 41.8 | 117.4 | 131.5 | -132.9 | 155.5 | 0 | 0 | 0 | 119.6 | ||||
| 146 | T | 34.4 | Very low | 41.1 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -165.4 | 150.2 | 137.6 | 25.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 147 | D | 36.6 | Very low | 41.3 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 173.7 | -170.8 | -115.9 | -60.7 | 0 | 0 | 0 | 116.9 | ||||
| 148 | A | 41.2 | Very low | 41 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 90 | 99.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 149 | D | 37.9 | Very low | 41.1 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | 20.5 | 114.8 | 123.6 | -139.8 | -28.4 | 0 | 0 | 0 | 118.8 | |||||
| 150 | T | 45.3 | Very low | 41.5 | Very low | 138 Ų | 138 | 143 Ų | 143 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -173.1 | 127.3 | 130.6 | -69.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 151 | A | 36 | Very low | 41.2 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -54.4 | 135.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 152 | S | 38.5 | Very low | 41.1 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -146 | 137.9 | 153.6 | -169 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 153 | K | 41.5 | Very low | 41 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 138.1 | -165.4 | -87.9 | 163.9 | 171.1 | 168.5 | 0 | 112.4 | ||||
| 154 | N | 39.9 | Very low | 41 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 76.5 | 157.1 | 155.7 | -53.6 | -2.7 | 0 | 0 | 0 | 116.6 | ||||
| 155 | P | 45.5 | Very low | 41.1 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -129.6 | 151.9 | -1 | 36.5 | -19.7 | 0 | 0 | 0 | 113.4 | ||||
| 156 | F | 33.8 | Very low | 41.1 | Very low | 166 Ų | 166 | 153 Ų | 153 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | trans | -149.7 | 111.3 | 158.3 | -160.3 | -119.6 | 0 | 0 | 0 | 112.1 | E158 | F156-E158 HydrophobicContact CD1-CB 4.05Å; F156-E158 HydrophobicContact CD1-CG 4.47Å; F156-E158 WeakPolarHBondContact CD1-OE2 3.38Å; F156-E158 HydrophobicContact CE1-CB 4.03Å; F156-E158 HydrophobicContact CE1-CG 4.01Å; F156-E158 WeakPolarHBondContact CE1-OE2 3.14Å | ||
| 157 | V | 49.2 | Very low | 41.5 | Very low | 130 Ų | 130 | 156 Ų | 156 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 111.8 | 164.5 | 174.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 158 | E | 43.4 | Very low | 41.4 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -107.9 | 88.2 | 169.6 | -157.4 | 133.8 | -152.7 | 0 | 0 | 108.3 | F156 H160 | F156-E158 HydrophobicContact CD1-CB 4.05Å; F156-E158 HydrophobicContact CD1-CG 4.47Å; F156-E158 WeakPolarHBondContact CD1-OE2 3.38Å; F156-E158 HydrophobicContact CE1-CB 4.03Å; F156-E158 HydrophobicContact CE1-CG 4.01Å; F156-E158 WeakPolarHBondContact CE1-OE2 3.14Å; E158-H160 PolarHBondContact O-N 2.63Å | ||
| 159 | D | 46.7 | Very low | 41.3 | Very low | 122 Ų | 122 | 158.9 Ų | 158.9 | 65% | 0.652 | 80% | 0.796 | S | S | * | * | trans | -60.2 | 113.8 | 159.9 | 168.6 | 37.4 | 0 | 0 | 0 | 108 | ||||
| 160 | H | 50.2 | Low | 41.3 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -165.5 | 101.6 | 146.7 | -81.3 | -25.1 | 0 | 0 | 0 | 109.5 | E158 | E158-H160 PolarHBondContact O-N 2.63Š| ||
| 161 | R | 37.4 | Very low | 40.8 | Very low | 242 Ų | 242 | 155.6 Ų | 155.6 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | -156 | 107.7 | 124.1 | -82.5 | -128.8 | 163.1 | 176.2 | -3.1 | 111 | N163 | R161-N163 PolarHBondContact O-N 3.14Š| |||
| 162 | R | 40 | Very low | 41.3 | Very low | 252 Ų | 252 | 160.2 Ų | 160.2 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | -26.8 | 118.4 | 151.8 | -77 | 173 | 171.3 | 138.7 | -1.8 | 112 | ||||
| 163 | N | 46.6 | Very low | 41.3 | Very low | 121 Ų | 121 | 165.2 Ų | 165.2 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | 166.3 | 110.3 | 110.2 | 179.9 | 33.1 | 0 | 0 | 0 | 109.8 | R161 F165 | R161-N163 PolarHBondContact O-N 3.14Å; N163-F165 PolarHBondContact OD1-N 3.2Å | |||
| 164 | P | 39.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 162.6 Ų | 162.6 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -118.3 | 70.3 | 162.4 | 36.1 | -21.3 | 0 | 0 | 0 | 109.8 | Y166 | P164-Y166 PolarHBondContact O-N 2.73Š| ||
| 165 | F | 36.5 | Very low | 40.9 | Very low | 189 Ų | 189 | 160.3 Ų | 160.3 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -77.6 | 69.6 | 152.3 | -96.8 | -77.8 | 0 | 0 | 0 | 109.1 | N163 | N163-F165 PolarHBondContact OD1-N 3.2Š| ||
| 166 | Y | 43.3 | Very low | 40.3 | Very low | 215 Ų | 215 | 164.3 Ų | 164.3 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -136.5 | 110.5 | 159 | -80.9 | -81.9 | 0 | 0 | 0 | 106.4 | P164 | P164-Y166 PolarHBondContact O-N 2.73Š| ||
| 167 | F | 42.2 | Very low | 40.4 | Very low | 205 Ų | 205 | 161.8 Ų | 161.8 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | trans | -114.1 | 119.9 | 159.5 | -108.1 | -81.4 | 0 | 0 | 0 | 109.6 | ||||
| 168 | A | 34.7 | Very low | 39.7 | Very low | 88 Ų | 88 | 159.6 Ų | 159.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -53.7 | 136.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 169 | Y | 39.1 | Very low | 39.2 | Very low | 219 Ų | 219 | 159.9 Ų | 159.9 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -64.6 | 135.6 | 159.5 | -64.8 | -82.2 | 0 | 0 | 0 | 108.4 | A171 | Y169-A171 PolarHBondContact O-N 2.95Å; Y169-A171 VanDerWaalsContact O-N 3.1Å | ||
| 170 | P | 38.9 | Very low | 38.8 | Very low | 124 Ų | 124 | 161.2 Ų | 161.2 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 114.5 | 170.2 | 25.7 | -29.9 | 0 | 0 | 0 | 108.7 | ||||
| 171 | A | 34 | Very low | 38.2 | Very low | 100 Ų | 100 | 162.2 Ų | 162.2 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -62.9 | 131.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y169 | Y169-A171 PolarHBondContact O-N 2.95Å; Y169-A171 VanDerWaalsContact O-N 3.1Å | ||
| 172 | K | 45.9 | Very low | 37.8 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -79.9 | 157.7 | 163.9 | -69.5 | -161 | 174.6 | -168.1 | 0 | 110.1 | ||||
| 173 | R | 38.3 | Very low | 37.8 | Very low | 229 Ų | 229 | 147.6 Ų | 147.6 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 130.9 | 138.7 | 154.4 | -71.5 | -164.9 | -128.9 | 125.7 | -0.1 | 110.4 | ||||
| 174 | D | 34.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | cis | -176.1 | 148.6 | -8.5 | -99 | -21.3 | 0 | 0 | 0 | 107.4 | ||||
| 175 | T | 39.2 | Very low | 37.2 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 61% | 0.613 | 80% | 0.8 | S | S | * | * | trans | 66.7 | 129.8 | 143.7 | -41.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 176 | F | 31.7 | Very low | 37.2 | Very low | 202 Ų | 202 | 152.5 Ų | 152.5 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | -158 | 157.6 | 72.5 | -88.6 | -85.9 | 0 | 0 | 0 | 115.4 | |||||
| 177 | S | 36 | Very low | 36.8 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -72.9 | 174.2 | 179.3 | -62.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 178 | A | 34.4 | Very low | 36.6 | Very low | 84 Ų | 84 | 145.9 Ų | 145.9 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | 98.2 | 129.2 | 155 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 179 | D | 34.6 | Very low | 36.8 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | cis | -155.8 | 162.3 | 35.8 | -72.8 | -63.1 | 0 | 0 | 0 | 113.3 | ||||
| 180 | N | 37.8 | Very low | 36.8 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | 123.4 | 136.8 | 126.1 | -150 | 25.2 | 0 | 0 | 0 | 118.5 | |||||
| 181 | E | 36.8 | Very low | 37.3 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 167.3 | -165.1 | -57.1 | -173.3 | 133.3 | 0 | 0 | 116 | ||||
| 182 | G | 30.3 | Very low | 37.4 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 111.6 | 104.2 | 135.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 183 | S | 39 | Very low | 36.9 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | 164.3 | 130.8 | 106.2 | -169.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 184 | A | 37.3 | Very low | 37.1 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -76.4 | 143.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 185 | Y | 36.3 | Very low | 37.2 | Very low | 219 Ų | 219 | 132.2 Ų | 132.2 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -151.4 | 121.4 | 137.8 | 38.2 | -92 | 0 | 0 | 0 | 110.8 | ||||
| 186 | R | 35.6 | Very low | 37.1 | Very low | 219 Ų | 219 | 135.5 Ų | 135.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -71.9 | 140.7 | 172.3 | 179.7 | -174.7 | -167.8 | -127 | 4.2 | 109.4 | ||||
| 187 | S | 36.2 | Very low | 37.8 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -163.4 | 118.8 | 133 | -80.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 188 | E | 36.7 | Very low | 38.3 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 173.8 | 169.3 | -71.2 | -81.9 | 156.4 | 0 | 0 | 111.5 | ||||
| 189 | I | 38.9 | Very low | 38.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 108.8 | 86 | 157.4 | -62.4 | 131.8 | 0 | 0 | 0 | 116.3 | ||||
| 190 | S | 41 | Very low | 39.3 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | 89.7 | 141.4 | 115 | -64.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 191 | P | 48.3 | Very low | 39.4 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -90.9 | 147.9 | -177.8 | 38 | -32.3 | 0 | 0 | 0 | 111 | ||||
| 192 | S | 35.9 | Very low | 40.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | trans | -158 | 138.4 | 165.8 | -155.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 193 | G | 36.2 | Very low | 41.1 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 117.9 | 64.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 194 | A | 41.5 | Very low | 41.3 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 129.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 195 | S | 37.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 169.4 | 137.5 | 160.2 | -105.3 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 196 | E | 37 | Very low | 42.5 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | -160.7 | 138 | 26.6 | -115.2 | 155.6 | 108.2 | 0 | 0 | 107.7 | ||||
| 197 | I | 47.8 | Very low | 42.9 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -93 | 136.7 | 156.5 | -66.3 | 167.2 | 0 | 0 | 0 | 105.7 | ||||
| 198 | P | 44.8 | Very low | 43.3 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -135.4 | 123.1 | 127 | 19.3 | 1 | 0 | 0 | 0 | 112.2 | |||||
| 199 | A | 42.4 | Very low | 43.8 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 152 | 138.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 200 | P | 47.5 | Very low | 44.3 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | -136.8 | 173.3 | 60.1 | 31.5 | -7.2 | 0 | 0 | 0 | 110.4 | |||||
| 201 | D | 40 | Very low | 44.6 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | -166.1 | 143.3 | 69.2 | -79.9 | -52.2 | 0 | 0 | 0 | 110.1 | |||||
| 202 | E | 51.9 | Low | 44.6 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -67.8 | 129.4 | 165.8 | -57.7 | -168.1 | 157.8 | 0 | 0 | 109.4 | ||||
| 203 | E | 50.8 | Low | 45.5 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -133.6 | 104.2 | 153.8 | -150 | 177.1 | -169.1 | 0 | 0 | 110.3 | S205 | E203-S205 PolarHBondContact O-N 2.62Š| ||
| 204 | E | 44.8 | Very low | 46.3 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 63% | 0.631 | 80% | 0.801 | S | S | * | * | trans | -52.4 | 118.4 | 166.1 | -179.6 | -177.6 | 168.9 | 0 | 0 | 111.1 | K206 | E204-K206 HydrophobicContact CG-CG 4.21Å; E204-K206 VanDerWaalsContact OE1-CD 3.23Å; E204-K206 WeakPolarHBondContact OE1-CD 2.91Å; E204-K206 WeakPolarHBondContact OE1-CE 3.23Å; E204-K206 IonicContact OE1-NZ 2.62Å; E204-K206 PolarHBondContact OE1-NZ 3.47Å | ||
| 205 | S | 47.5 | Very low | 46.8 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -118.2 | 95.9 | 159.3 | -80.5 | 0 | 0 | 0 | 0 | 109.2 | E203 | E203-S205 PolarHBondContact O-N 2.62Š| ||
| 206 | K | 49.7 | Very low | 47.6 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -75.9 | 132.5 | 158.5 | -71.6 | 170.5 | 171.8 | 150.7 | 0 | 108.4 | E204 | E204-K206 HydrophobicContact CG-CG 4.21Å; E204-K206 VanDerWaalsContact OE1-CD 3.23Å; E204-K206 WeakPolarHBondContact OE1-CD 2.91Å; E204-K206 WeakPolarHBondContact OE1-CE 3.23Å; E204-K206 IonicContact OE1-NZ 2.62Å; E204-K206 PolarHBondContact OE1-NZ 3.47Å | ||
| 207 | E | 44.8 | Very low | 48.3 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | 148.6 | 133.7 | 153.7 | -90.7 | -176.2 | 159.6 | 0 | 0 | 107.2 | ||||
| 208 | S | 45.7 | Very low | 48.3 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | cis | -166.9 | 121.8 | 4.7 | 42.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 209 | F | 46.4 | Very low | 48.5 | Very low | 214 Ų | 214 | 157.2 Ų | 157.2 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -122.8 | 79.1 | 168.7 | -92.9 | -78.9 | 0 | 0 | 0 | 108.7 | ||||
| 210 | L | 50.1 | Low | 48.8 | Very low | 164 Ų | 164 | 161.3 Ų | 161.3 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | trans | -145.4 | 98.3 | 161.2 | -82.6 | 173.6 | 0 | 0 | 0 | 107.9 | ||||
| 211 | N | 46.2 | Very low | 48.9 | Very low | 174 Ų | 174 | 164.6 Ų | 164.6 | 93% | 0.93 | 85% | 0.852 | S | S | * | * | trans | -141.5 | 117.7 | 145.4 | -92.3 | -31.6 | 0 | 0 | 0 | 109.4 | ||||
| 212 | A | 49.3 | Very low | 49.5 | Very low | 92 Ų | 92 | 165.6 Ų | 165.6 | 76% | 0.76 | 86% | 0.855 | S | S | * | * | trans | -72.3 | 151.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 213 | S | 53.6 | Low | 49.3 | Very low | 119 Ų | 119 | 163.5 Ų | 163.5 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | trans | -152.5 | 94.7 | 146.1 | -90.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 214 | V | 52.9 | Low | 49.2 | Very low | 136 Ų | 136 | 161.8 Ų | 161.8 | 82% | 0.824 | 85% | 0.849 | S | S | * | * | 50.2 | 115.5 | 124.7 | -178.7 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 215 | M | 52.2 | Low | 49.5 | Very low | 170 Ų | 170 | 163.8 Ų | 163.8 | 84% | 0.837 | 87% | 0.865 | S | S | * | * | trans | -34.1 | 142 | 156.9 | -60.7 | 164.8 | 89.5 | 0 | 0 | 116.3 | ||||
| 216 | K | 54.4 | Low | 49.7 | Very low | 208 Ų | 208 | 167.3 Ų | 167.3 | 90% | 0.904 | 87% | 0.866 | S | S | * | * | trans | -123.4 | 103.3 | 146.1 | -82.7 | -177.3 | 177.1 | 175.1 | 0 | 108.6 | ||||
| 217 | K | 50.9 | Low | 49.7 | Very low | 272 Ų | 272 | 167.5 Ų | 167.5 | 100% | 1.183 | 88% | 0.879 | S | S | * | * | trans | -167.7 | 0 | 135.8 | -129.1 | 173.3 | -178.9 | 174.2 | 0 | 110.5 |
Retrieved 217 of 217 residues in 341 ms
(Link to these results)