| 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 | 41.2 | Very low | 72 | Confident | 241 Ų | 241 | 108.8 Ų | 108.8 | 100% | 1.187 | 66% | 0.655 | S | S | * | * | 0 | 108.1 | 0 | -67.9 | -165.3 | -129.7 | 0 | 0 | 107.3 | C3 | M1-C3 PolarHBondContact O-N 3.21Š| |||
| 2 | G | 52.7 | Low | 73.3 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | trans | -75.3 | 109.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | T4 | G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.01Å | ||
| 3 | C | 56.9 | Low | 74.5 | Confident | 125 Ų | 125 | 99.3 Ų | 99.3 | 85% | 0.845 | 61% | 0.614 | S | S | * | * | trans | -64.1 | 94.2 | 169.8 | -71.6 | 0 | 0 | 0 | 0 | 107.8 | M1 V5 | M1-C3 PolarHBondContact O-N 3.21Å; C3-V5 PolarHBondContact O-N 2.85Å | ||
| 4 | T | 63.7 | Low | 75.6 | Confident | 134 Ų | 134 | 100.7 Ų | 100.7 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | trans | -66.8 | 101.8 | 170.9 | 48.2 | 0 | 0 | 0 | 0 | 107.1 | G2 S6 | G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.01Å; T4-S6 PolarHBondContact O-N 3.28Å | ||
| 5 | V | 68.7 | Low | 76.7 | Confident | 84 Ų | 84 | 103.6 Ų | 103.6 | 51% | 0.509 | 61% | 0.605 | S | S | . | * | trans | -49.9 | 123 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | C3 D9 K10 | C3-V5 PolarHBondContact O-N 2.85Å; V5-D9 HydrophobicContact CG1-CB 3.5Å; V5-D9 VanDerWaalsContact CG1-CB 3.5Å; V5-K10 HydrophobicContact CB-CG 4.28Å; V5-K10 HydrophobicContact CG1-CG 3.71Å | ||
| 6 | S | 81.6 | Confident | 77.6 | Confident | 45 Ų | 45 | 100.9 Ų | 100.9 | 32% | 0.315 | 59% | 0.594 | S | S | . | * | trans | -63.3 | 156.1 | -177.6 | 73.3 | 0 | 0 | 0 | 0 | 110.2 | T4 E8 D9 K10 | T4-S6 PolarHBondContact O-N 3.28Å; S6-E8 PolarHBondContact O-N 2.67Å; S6-D9 WeakPolarHBondContact CB-OD2 3.43Å; S6-D9 PolarHBondContact N-OD2 3.17Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 WeakPolarHBondContact OG-CB 3.35Å; S6-D9 PolarHBondContact OG-N 3.01Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; S6-K10 PolarHBondContact O-N 3.26Å | ||
| 7 | A | 83.1 | Confident | 78.5 | Confident | 86 Ų | 86 | 104.1 Ų | 104.1 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.5 | -32.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A11 | A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.01Å |
| 8 | E | 84.1 | Confident | 79.2 | Confident | 158 Ų | 158 | 105 Ų | 105 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.2 | -43.6 | 175.2 | -66.7 | -179.1 | 172.9 | 0 | 0 | 112.2 | S6 A11 A12 | S6-E8 PolarHBondContact O-N 2.67Å; E8-A11 PolarHBondContact O-N 2.81Å; E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.39Å |
| 9 | D | 86.3 | Confident | 79.8 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.7 | -39.7 | 176.7 | -65.6 | -40.3 | 0 | 0 | 0 | 111.7 | V5 S6 A12 A13 | V5-D9 HydrophobicContact CG1-CB 3.5Å; V5-D9 VanDerWaalsContact CG1-CB 3.5Å; S6-D9 WeakPolarHBondContact CB-OD2 3.43Å; S6-D9 PolarHBondContact N-OD2 3.17Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 WeakPolarHBondContact OG-CB 3.35Å; S6-D9 PolarHBondContact OG-N 3.01Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; D9-A12 PolarHBondContact O-N 3Å; D9-A13 WeakPolarHBondContact O-CB 3.35Å; D9-A13 PolarHBondContact O-N 2.89Å |
| 10 | K | 86 | Confident | 80.3 | Confident | 124 Ų | 124 | 103.9 Ų | 103.9 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.4 | -47.8 | 174 | -70.9 | -173.8 | -177.1 | 178.7 | 0 | 111.1 | V5 S6 A12 A13 E14 | V5-K10 HydrophobicContact CB-CG 4.28Å; V5-K10 HydrophobicContact CG1-CG 3.71Å; S6-K10 PolarHBondContact O-N 3.26Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.31Å; K10-A13 PolarHBondContact O-N 2.93Å; K10-E14 WeakPolarHBondContact O-CG 3.36Å; K10-E14 PolarHBondContact O-N 3.43Å |
| 11 | A | 87.9 | Confident | 80.8 | Confident | 32 Ų | 32 | 104.5 Ų | 104.5 | 26% | 0.264 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.5 | -35.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | A7 E8 R15 | A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.01Å; E8-A11 PolarHBondContact O-N 2.81Å; A11-R15 WeakPolarHBondContact O-CG 3.32Å; A11-R15 PolarHBondContact O-N 3.43Å; A11-R15 PolarHBondContact O-NH1 2.9Å |
| 12 | A | 87.7 | Confident | 83.2 | Confident | 42 Ų | 42 | 97 Ų | 97 | 35% | 0.347 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E8 D9 K10 E14 R15 S16 | E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.39Å; D9-A12 PolarHBondContact O-N 3Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.31Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.37Å; A12-R15 PolarHBondContact O-N 3.49Å; A12-S16 PolarHBondContact O-N 3.3Å |
| 13 | A | 88.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 98.6 Ų | 98.6 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D9 K10 S16 K17 | D9-A13 WeakPolarHBondContact O-CB 3.35Å; D9-A13 PolarHBondContact O-N 2.89Å; K10-A13 PolarHBondContact O-N 2.93Å; A13-S16 PolarHBondContact O-N 3.32Å; A13-K17 WeakPolarHBondContact O-CG 3.4Å; A13-K17 PolarHBondContact O-N 2.98Å |
| 14 | E | 90.2 | Very high | 86.1 | Confident | 119 Ų | 119 | 100.4 Ų | 100.4 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -45 | 173.3 | -75.6 | 175.4 | -178.4 | 0 | 0 | 111.8 | K10 A12 S16 K17 M18 | K10-E14 WeakPolarHBondContact O-CG 3.36Å; K10-E14 PolarHBondContact O-N 3.43Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.37Å; E14-S16 PolarHBondContact O-N 3.49Å; E14-K17 PolarHBondContact O-N 3.49Å; E14-M18 WeakPolarHBondContact O-CG 3.35Å; E14-M18 PolarHBondContact O-N 3.04Å |
| 15 | R | 91.2 | Very high | 87 | Confident | 144 Ų | 144 | 97.2 Ų | 97.2 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 174 | -75.2 | -173.1 | -61.3 | -90 | 3 | 112.3 | A11 A12 K17 M18 I19 | A11-R15 WeakPolarHBondContact O-CG 3.32Å; A11-R15 PolarHBondContact O-N 3.43Å; A11-R15 PolarHBondContact O-NH1 2.9Å; A12-R15 PolarHBondContact O-N 3.49Å; R15-K17 PolarHBondContact O-N 3.34Å; R15-M18 PolarHBondContact O-N 3.44Å; R15-I19 VanDerWaalsContact O-CG1 3.31Å; R15-I19 WeakPolarHBondContact O-CG1 3.31Å; R15-I19 PolarHBondContact O-N 2.91Å |
| 16 | S | 92.2 | Very high | 87.7 | Confident | 60 Ų | 60 | 97.5 Ų | 97.5 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 177.8 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | A12 A13 E14 M18 I19 D20 | A12-S16 PolarHBondContact O-N 3.3Å; A13-S16 PolarHBondContact O-N 3.32Å; E14-S16 PolarHBondContact O-N 3.49Å; S16-M18 VanDerWaalsContact C-N 3.29Å; S16-M18 PolarHBondContact O-N 3.37Å; S16-I19 PolarHBondContact O-N 3.14Å; S16-I19 VanDerWaalsContact O-N 3.14Å; S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.89Å |
| 17 | K | 92.1 | Very high | 87.7 | Confident | 156 Ų | 156 | 97.3 Ų | 97.3 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -37.1 | 176.4 | -74.2 | 176.7 | -178.9 | 180 | 0 | 112.7 | A13 E14 R15 K21 | A13-K17 WeakPolarHBondContact O-CG 3.4Å; A13-K17 PolarHBondContact O-N 2.98Å; E14-K17 PolarHBondContact O-N 3.49Å; R15-K17 PolarHBondContact O-N 3.34Å; K17-K21 VanDerWaalsContact O-CB 3.3Å; K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 PolarHBondContact O-N 2.92Å |
| 18 | M | 91.1 | Very high | 87.5 | Confident | 120 Ų | 120 | 98.1 Ų | 98.1 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -40.4 | 174.6 | -72.2 | -178.8 | -177.9 | 0 | 0 | 111.7 | E14 R15 S16 K21 N22 | E14-M18 WeakPolarHBondContact O-CG 3.35Å; E14-M18 PolarHBondContact O-N 3.04Å; R15-M18 PolarHBondContact O-N 3.44Å; S16-M18 VanDerWaalsContact C-N 3.29Å; S16-M18 PolarHBondContact O-N 3.37Å; M18-K21 PolarHBondContact O-N 3.22Å; M18-N22 WeakPolarHBondContact O-CB 3.3Å; M18-N22 PolarHBondContact O-N 3.01Å; M18-N22 PolarHBondContact O-OD1 3.49Å |
| 19 | I | 90.8 | Very high | 87.2 | Confident | 95 Ų | 95 | 96.7 Ų | 96.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 175.2 | -68 | 163.9 | 0 | 0 | 0 | 110.3 | R15 S16 K21 N22 L23 | R15-I19 VanDerWaalsContact O-CG1 3.31Å; R15-I19 WeakPolarHBondContact O-CG1 3.31Å; R15-I19 PolarHBondContact O-N 2.91Å; S16-I19 PolarHBondContact O-N 3.14Å; S16-I19 VanDerWaalsContact O-N 3.14Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.97Å; I19-N22 PolarHBondContact O-N 2.84Å; I19-N22 VanDerWaalsContact O-N 3.16Å; I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.48Å |
| 20 | D | 90.8 | Very high | 86.8 | Confident | 93 Ų | 93 | 95.3 Ų | 95.3 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 179.3 | -65.3 | -30.2 | 0 | 0 | 0 | 111.8 | S16 R24 | S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.89Å; D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 VanDerWaalsContact O-N 3.08Å |
| 21 | K | 90.8 | Very high | 86.5 | Confident | 116 Ų | 116 | 92.5 Ų | 92.5 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174.6 | -178.3 | -178.5 | 167.7 | -174.8 | 0 | 111.5 | K17 M18 I19 R24 E25 | K17-K21 VanDerWaalsContact O-CB 3.3Å; K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 PolarHBondContact O-N 2.92Å; M18-K21 PolarHBondContact O-N 3.22Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.97Å; K21-R24 PolarHBondContact O-N 3.28Å; K21-E25 WeakPolarHBondContact CE-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.76Å; K21-E25 WeakPolarHBondContact O-CG 2.84Å; K21-E25 PolarHBondContact O-N 3.34Å |
| 22 | N | 89.8 | Confident | 86.4 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 179.2 | -69.5 | -6.8 | 0 | 0 | 0 | 111.3 | M18 I19 R24 E25 D26 | M18-N22 WeakPolarHBondContact O-CB 3.3Å; M18-N22 PolarHBondContact O-N 3.01Å; M18-N22 PolarHBondContact O-OD1 3.49Å; I19-N22 PolarHBondContact O-N 2.84Å; I19-N22 VanDerWaalsContact O-N 3.16Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 3.08Å; N22-E25 PolarHBondContact O-N 2.8Å; N22-D26 WeakPolarHBondContact O-CB 3.31Å; N22-D26 VanDerWaalsContact O-CG 3.23Å; N22-D26 PolarHBondContact O-N 3.35Å |
| 23 | L | 87.2 | Confident | 86.6 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -38.8 | 176.5 | -72.8 | 173.8 | 0 | 0 | 0 | 112.1 | I19 G27 | I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.48Å; L23-G27 PolarHBondContact O-N 2.91Å |
| 24 | R | 83.7 | Confident | 86.8 | Confident | 162 Ų | 162 | 96.8 Ų | 96.8 | 61% | 0.611 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.9 | -45.5 | 175.2 | -169.5 | -178.6 | 69.8 | 169.5 | 5 | 111.8 | D20 K21 N22 D26 G27 E28 | D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 VanDerWaalsContact O-N 3.08Å; K21-R24 PolarHBondContact O-N 3.28Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 3.08Å; R24-D26 VanDerWaalsContact C-N 3.32Å; R24-D26 PolarHBondContact O-N 3.28Å; R24-G27 PolarHBondContact O-N 2.86Å; R24-E28 IonicContact NE-OE1 2.82Å; R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.98Å |
| 25 | E | 83.5 | Confident | 87 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 32% | 0.318 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 177 | -72.4 | 178.5 | -174 | 0 | 0 | 112 | K21 N22 E28 K29 | K21-E25 WeakPolarHBondContact CE-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.76Å; K21-E25 WeakPolarHBondContact O-CG 2.84Å; K21-E25 PolarHBondContact O-N 3.34Å; N22-E25 PolarHBondContact O-N 2.8Å; E25-E28 PolarHBondContact O-N 3.45Å; E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.36Å; E25-K29 PolarHBondContact O-N 3.21Å |
| 26 | D | 83.1 | Confident | 87.3 | Confident | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 175.8 | -70.4 | -17.7 | 0 | 0 | 0 | 111.3 | N22 R24 K29 A30 | N22-D26 WeakPolarHBondContact O-CB 3.31Å; N22-D26 VanDerWaalsContact O-CG 3.23Å; N22-D26 PolarHBondContact O-N 3.35Å; R24-D26 VanDerWaalsContact C-N 3.32Å; R24-D26 PolarHBondContact O-N 3.28Å; D26-K29 PolarHBondContact O-N 2.92Å; D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.15Å |
| 27 | G | 80.7 | Confident | 87.6 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L23 R24 A30 A31 | L23-G27 PolarHBondContact O-N 2.91Å; R24-G27 PolarHBondContact O-N 2.86Å; G27-A30 PolarHBondContact O-N 3.37Å; G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.43Å |
| 28 | E | 78.9 | Confident | 87.8 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 49% | 0.486 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.1 | -74.3 | 174.4 | -164.2 | 0 | 0 | 112.2 | R24 E25 R32 | R24-E28 IonicContact NE-OE1 2.82Å; R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.98Å; E25-E28 PolarHBondContact O-N 3.45Å; E28-R32 PolarHBondContact O-N 3.42Å |
| 29 | K | 79 | Confident | 88.2 | Confident | 127 Ų | 127 | 70 Ų | 70 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 173.9 | -74.6 | 172 | -172.5 | 165.4 | 0 | 111.6 | E25 D26 A31 R32 E33 | E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.36Å; E25-K29 PolarHBondContact O-N 3.21Å; D26-K29 PolarHBondContact O-N 2.92Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.45Å; K29-R32 PolarHBondContact O-N 2.96Å; K29-E33 PolarHBondContact O-N 2.87Å; K29-E33 VanDerWaalsContact O-N 3.15Å |
| 30 | A | 77 | Confident | 88.5 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D26 G27 R32 E33 | D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.15Å; G27-A30 PolarHBondContact O-N 3.37Å; A30-R32 PolarHBondContact O-N 3.04Å; A30-E33 PolarHBondContact O-N 3.33Å |
| 31 | A | 79.4 | Confident | 88.8 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -20.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | G27 K29 | G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.43Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.45Å |
| 32 | R | 86.7 | Confident | 89 | Confident | 136 Ų | 136 | 57 Ų | 57 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -100.2 | -4.4 | 176.5 | -63.5 | -177 | -172.9 | -166.2 | 1.2 | 113.4 | E28 K29 A30 L195 H196 | E28-R32 PolarHBondContact O-N 3.42Å; K29-R32 PolarHBondContact O-N 2.96Å; A30-R32 PolarHBondContact O-N 3.04Å; R32-L195 HydrophobicContact CB-CD2 4.37Å; R32-L195 WeakPolarHBondContact O-CA 3.39Å; R32-H196 PolarHBondContact O-N 3.27Å |
| 33 | E | 91.5 | Very high | 89.2 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.5 | 178.8 | -172.5 | 170.3 | 112.4 | 0 | 0 | 110.4 | K29 A30 H196 K198 | K29-E33 PolarHBondContact O-N 2.87Å; K29-E33 VanDerWaalsContact O-N 3.15Å; A30-E33 PolarHBondContact O-N 3.33Å; E33-H196 WeakPolarHBondContact CA-O 3.4Å; E33-K198 HydrophobicContact CG-CD 4.25Å; E33-K198 HydrophobicContact CG-CG 4.41Å; E33-K198 WeakPolarHBondContact OE1-CE 3.4Å; E33-K198 IonicContact OE1-NZ 2.73Å; E33-K198 PolarHBondContact OE1-NZ 3.04Å; E33-K198 WeakPolarHBondContact OE2-CE 3.25Å; E33-K198 IonicContact OE2-NZ 2.96Å; E33-K198 PolarHBondContact OE2-NZ 2.97Å |
| 34 | V | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 114.9 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | L36 L195 H196 F197 K198 T220 I344 | V34-L36 HydrophobicContact CG1-CD2 3.91Å; V34-L36 HydrophobicContact CG1-CG 4.09Å; V34-L195 HydrophobicContact CG2-CB 4.34Å; V34-L195 HydrophobicContact CG2-CD1 4.01Å; V34-L195 HydrophobicContact CG2-CD2 4.37Å; V34-L195 HydrophobicContact CG2-CG 4.49Å; V34-H196 PolarHBondContact N-O 2.75Å; V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.86Å; V34-F197 HydrophobicContact CB-CG 4.4Å; V34-F197 HydrophobicContact CB-CZ 4.49Å; V34-F197 HydrophobicContact CG1-CD1 3.71Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG2-CE1 4.37Å; V34-F197 CarbonylContact O-C 3.55Å; V34-F197 WeakPolarHBondContact O-CA 3.19Å; V34-K198 PolarHBondContact O-N 3.09Å; V34-T220 HydrophobicContact CG1-CG2 4.01Å; V34-I344 HydrophobicContact CG1-CG2 3.99Å; V34-I344 HydrophobicContact CG2-CG2 4.27Å |
| 35 | K | 94.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 110.6 | 173.7 | 179.4 | 166.9 | 177.8 | -176.7 | 0 | 110.2 | K198 F200 C215 E217 G218 V219 T220 A221 | K35-K198 WeakPolarHBondContact CA-O 3.32Å; K35-F200 HydrophobicContact CD-CD2 4.28Å; K35-F200 HydrophobicContact CD-CE2 3.83Å; K35-F200 HydrophobicContact CG-CD2 3.88Å; K35-F200 HydrophobicContact CG-CE2 3.69Å; K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.4Å; K35-C215 PolarHBondContact NZ-O 3.42Å; K35-E217 PolarHBondContact NZ-O 2.96Å; K35-G218 WeakPolarHBondContact CB-O 3.27Å; K35-G218 WeakPolarHBondContact CD-O 3.37Å; K35-V219 HydrophobicContact CD-CG2 4.41Å; K35-T220 PolarHBondContact N-OG1 3.17Å; K35-T220 WeakPolarHBondContact O-CB 3Å; K35-T220 PolarHBondContact O-N 3.27Å; K35-A221 PolarHBondContact O-N 3.03Å |
| 36 | L | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.9 | 174.5 | -65.5 | -176.7 | 0 | 0 | 0 | 110.7 | V34 F197 K198 M199 F200 A221 I223 F337 I344 | V34-L36 HydrophobicContact CG1-CD2 3.91Å; V34-L36 HydrophobicContact CG1-CG 4.09Å; L36-F197 HydrophobicContact CD1-CD1 3.48Å; L36-F197 VanDerWaalsContact CD1-CD1 3.48Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 3.84Å; L36-F197 HydrophobicContact CG-CE1 4.27Å; L36-K198 PolarHBondContact N-O 3.39Å; L36-M199 HydrophobicContact CB-CB 4.46Å; L36-M199 HydrophobicContact CB-CE 4.5Å; L36-M199 HydrophobicContact CB-CG 4.44Å; L36-M199 HydrophobicContact CD1-CE 3.67Å; L36-M199 CarbonylContact O-C 3.6Å; L36-M199 WeakPolarHBondContact O-CA 3.42Å; L36-F200 PolarHBondContact O-N 3.16Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.83Å; L36-I223 HydrophobicContact CD1-CD1 4.23Å; L36-F337 HydrophobicContact CD1-CE2 3.75Å; L36-F337 HydrophobicContact CD1-CZ 3.73Å; L36-I344 HydrophobicContact CD2-CD1 3.74Å |
| 37 | L | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.3 | 174.9 | -176.7 | 59.3 | 0 | 0 | 0 | 110.3 | L39 F200 V202 C215 F216 V219 A221 I222 I223 F260 | L37-L39 HydrophobicContact CD1-CD2 4.18Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L37-F200 HydrophobicContact CD1-CB 3.81Å; L37-V202 HydrophobicContact CD1-CG1 4.41Å; L37-C215 HydrophobicContact CD1-CB 3.61Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; L37-F216 HydrophobicContact CD2-CD1 3.81Å; L37-F216 HydrophobicContact CD2-CE1 3.95Å; L37-V219 HydrophobicContact CB-CG1 3.82Å; L37-V219 HydrophobicContact CB-CG2 4.18Å; L37-V219 HydrophobicContact CD2-CG2 4Å; L37-A221 PolarHBondContact N-O 2.73Å; L37-I222 HydrophobicContact CB-CG1 4.44Å; L37-I222 WeakPolarHBondContact O-CA 3.3Å; L37-I223 PolarHBondContact O-N 2.75Å; L37-F260 HydrophobicContact CD2-CE1 4.47Å; L37-F260 HydrophobicContact CD2-CZ 4.08Å |
| 38 | L | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 115.3 | 176.2 | -68.4 | 169.6 | 0 | 0 | 0 | 110.2 | K46 I49 V50 M199 F200 D201 V202 I223 | L38-K46 HydrophobicContact CB-CB 4.21Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.24Å; L38-K46 HydrophobicContact CD1-CB 4.48Å; L38-K46 WeakPolarHBondContact O-CD 3.4Å; L38-I49 HydrophobicContact CD2-CG2 4.31Å; L38-V50 HydrophobicContact CD1-CG2 3.39Å; L38-M199 HydrophobicContact CD1-CG 3.72Å; L38-M199 HydrophobicContact CD1-SD 3.6Å; L38-M199 VanDerWaalsContact CD1-SD 3.6Å; L38-M199 HydrophobicContact CG-CG 4.09Å; L38-M199 HydrophobicContact CG-SD 4.27Å; L38-F200 PolarHBondContact N-O 3.28Å; L38-D201 HydrophobicContact CD1-CB 4.2Å; L38-V202 WeakPolarHBondContact O-CG2 3.45Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.63Å; L38-I223 HydrophobicContact CD2-CD1 4.2Å; L38-I223 HydrophobicContact CD2-CG1 4.5Å; L38-I223 HydrophobicContact CD2-CG2 3.66Å |
| 39 | L | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 161.9 | 179.6 | -61.5 | -178.8 | 0 | 0 | 0 | 111.7 | L37 V202 W212 F216 I222 I223 F224 C225 I254 F260 | L37-L39 HydrophobicContact CD1-CD2 4.18Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L39-V202 HydrophobicContact CD2-CG2 3.68Å; L39-W212 HydrophobicContact CB-CH2 4.4Å; L39-W212 HydrophobicContact CB-CZ3 4.27Å; L39-W212 HydrophobicContact CD1-CE3 4.49Å; L39-W212 HydrophobicContact CD1-CZ3 4.49Å; L39-W212 HydrophobicContact CD2-CD2 3.82Å; L39-W212 HydrophobicContact CD2-CE3 3.7Å; L39-W212 HydrophobicContact CD2-CG 4.3Å; L39-W212 HydrophobicContact CD2-CH2 4.31Å; L39-W212 HydrophobicContact CD2-CZ2 4.45Å; L39-W212 HydrophobicContact CD2-CZ3 3.93Å; L39-W212 HydrophobicContact CG-CZ3 4.46Å; L39-F216 HydrophobicContact CD1-CE1 4.5Å; L39-I222 HydrophobicContact CB-CG2 4.33Å; L39-I222 HydrophobicContact CD1-CD1 4.37Å; L39-I222 HydrophobicContact CD1-CG2 3.97Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; L39-I223 PolarHBondContact N-O 3.19Å; L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.29Å; L39-F224 CarbonylContact O-C 3.59Å; L39-F224 WeakPolarHBondContact O-CA 3.17Å; L39-C225 PolarHBondContact O-N 3.27Å; L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.06Å; L39-I254 HydrophobicContact CD1-CG2 3.81Å; L39-F260 HydrophobicContact CD1-CE2 4.38Å |
| 40 | G | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | 136.9 | 166.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K46 G204 | G40-K46 PolarHBondContact O-NZ 3.32Å; G40-G204 WeakPolarHBondContact O-CA 3.29Å | ||
| 41 | A | 96.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -59.1 | 165.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S44 K46 L250 | A41-S44 PolarHBondContact O-N 3.48Å; A41-S44 PolarHBondContact O-OG 3Å; A41-S44 VanDerWaalsContact O-OG 3.08Å; A41-K46 PolarHBondContact O-NZ 3.43Å; A41-L250 HydrophobicContact CB-CD1 4.36Å |
| 42 | G | 94.6 | Very high | 96 | Very high | 21 Ų | 21 | 21.1 Ų | 21.1 | 22% | 0.216 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 143.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S44 G204 | G42-S44 PolarHBondContact O-N 3.09Å; G42-S44 VanDerWaalsContact O-N 3.1Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.97Å |
| 43 | E | 95.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 14.6 Ų | 14.6 | 22% | 0.22 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 11 | 176.8 | -68.7 | 154 | -152.4 | 0 | 0 | 115.9 | G45 R179 R243 K271 | E43-G45 PolarHBondContact O-N 3.48Å; E43-R179 VanDerWaalsContact CG-NE 3.3Å; E43-R179 IonicContact OE1-CZ 2.68Å; E43-R179 IonicContact OE1-NE 3.72Å; E43-R179 PolarHBondContact OE1-NE 3.42Å; E43-R179 IonicContact OE1-NH2 3.55Å; E43-R179 PolarHBondContact OE1-NH2 2.87Å; E43-R243 IonicContact OE2-CZ 2.61Å; E43-R243 IonicContact OE2-NH1 2.87Å; E43-R243 PolarHBondContact OE2-NH1 3.39Å; E43-R243 IonicContact OE2-NH2 3.06Å; E43-R243 PolarHBondContact OE2-NH2 3.12Å; E43-K271 WeakPolarHBondContact O-CE 3.42Å; E43-K271 PolarHBondContact O-NZ 3.21Å |
| 44 | S | 97.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -70.4 | -12.6 | 176 | 65 | 0 | 0 | 0 | 0 | 115.1 | A41 G42 C225 N270 | A41-S44 PolarHBondContact O-N 3.48Å; A41-S44 PolarHBondContact O-OG 3Å; A41-S44 VanDerWaalsContact O-OG 3.08Å; G42-S44 PolarHBondContact O-N 3.09Å; G42-S44 VanDerWaalsContact O-N 3.1Å; S44-C225 WeakPolarHBondContact CB-O 3.45Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 3.39Å; S44-C225 VanDerWaalsContact OG-O 3.09Å; S44-N270 PolarHBondContact O-ND2 2.85Å |
| 45 | G | 96.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 14.1 Ų | 14.1 | 10% | 0.103 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 105.5 | 9.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | E43 S47 T48 I49 | E43-G45 PolarHBondContact O-N 3.48Å; G45-S47 PolarHBondContact O-N 3.43Å; G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 WeakPolarHBondContact O-CB 3.29Å; G45-T48 PolarHBondContact O-N 3.3Å; G45-T48 VanDerWaalsContact O-N 3.08Å; G45-I49 PolarHBondContact O-N 3.44Å |
| 46 | K | 97.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 13.9 Ų | 13.9 | 4% | 0.035 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -51.2 | -56.1 | 178.4 | -61.4 | -176.9 | -62.7 | -67.6 | 0 | 113.7 | L38 G40 A41 T48 I49 V50 D201 V202 C225 | L38-K46 HydrophobicContact CB-CB 4.21Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.24Å; L38-K46 HydrophobicContact CD1-CB 4.48Å; L38-K46 WeakPolarHBondContact O-CD 3.4Å; G40-K46 PolarHBondContact O-NZ 3.32Å; A41-K46 PolarHBondContact O-NZ 3.43Å; K46-T48 PolarHBondContact O-N 3.04Å; K46-I49 WeakPolarHBondContact O-CA 3.38Å; K46-I49 WeakPolarHBondContact O-CB 3.37Å; K46-I49 PolarHBondContact O-N 2.93Å; K46-V50 PolarHBondContact O-N 3.19Å; K46-V50 VanDerWaalsContact O-N 3.07Å; K46-D201 VanDerWaalsContact CB-OD1 3.23Å; K46-D201 WeakPolarHBondContact CB-OD1 3.49Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; K46-C225 HydrophobicContact CG-CB 3.96Å |
| 47 | S | 97.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 16 Ų | 16 | 22% | 0.217 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.5 | -26.3 | 179.9 | -45 | 0 | 0 | 0 | 0 | 112.5 | G45 V50 K51 T182 D201 | G45-S47 PolarHBondContact O-N 3.43Å; S47-V50 PolarHBondContact O-N 2.71Å; S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.44Å; S47-K51 PolarHBondContact O-N 3.24Å; S47-T182 PolarHBondContact OG-OG1 3.03Å; S47-D201 WeakPolarHBondContact CA-OD2 3.34Å; S47-D201 VanDerWaalsContact CB-OD2 3.29Å; S47-D201 WeakPolarHBondContact CB-OD2 3.43Å; S47-D201 PolarHBondContact OG-OD2 3.17Å |
| 48 | T | 97.7 | Very high | 96.3 | Very high | 24 Ų | 24 | 20 Ų | 20 | 15% | 0.147 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 172.4 | -50.5 | 0 | 0 | 0 | 0 | 111 | G45 K46 K51 Q52 L176 A327 T328 | G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 WeakPolarHBondContact O-CB 3.29Å; G45-T48 PolarHBondContact O-N 3.3Å; G45-T48 VanDerWaalsContact O-N 3.08Å; K46-T48 PolarHBondContact O-N 3.04Å; T48-K51 PolarHBondContact O-N 3.18Å; T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.06Å; T48-L176 HydrophobicContact CG2-CB 4.49Å; T48-L176 HydrophobicContact CG2-CD2 3.96Å; T48-A327 HydrophobicContact CG2-CB 3.67Å; T48-A327 WeakPolarHBondContact CG2-O 3.22Å; T48-T328 HydrophobicContact CG2-CG2 4.06Å |
| 49 | I | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 172.1 | -61.5 | -61.1 | 0 | 0 | 0 | 111 | L38 G45 K46 K51 Q52 M53 F268 A327 V333 | L38-I49 HydrophobicContact CD2-CG2 4.31Å; G45-I49 PolarHBondContact O-N 3.44Å; K46-I49 WeakPolarHBondContact O-CA 3.38Å; K46-I49 WeakPolarHBondContact O-CB 3.37Å; K46-I49 PolarHBondContact O-N 2.93Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.18Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.04Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.85Å; I49-F268 HydrophobicContact CD1-CD2 4.2Å; I49-F268 HydrophobicContact CD1-CE2 4.14Å; I49-F268 HydrophobicContact CG1-CD2 4.31Å; I49-F268 HydrophobicContact CG1-CE2 4.41Å; I49-F268 HydrophobicContact CG2-CE2 4.48Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.26Å; I49-V333 HydrophobicContact CD1-CG1 4.25Å; I49-V333 HydrophobicContact CD1-CG2 4.04Å |
| 50 | V | 96.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 174 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | L38 K46 S47 Q52 M53 K54 T188 M199 D201 | L38-V50 HydrophobicContact CD1-CG2 3.39Å; K46-V50 PolarHBondContact O-N 3.19Å; K46-V50 VanDerWaalsContact O-N 3.07Å; S47-V50 PolarHBondContact O-N 2.71Å; V50-Q52 PolarHBondContact O-N 3.38Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.17Å; V50-K54 PolarHBondContact O-N 3.07Å; V50-T188 HydrophobicContact CG1-CG2 4.04Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.13Å; V50-M199 HydrophobicContact CG2-CG 4.38Å; V50-M199 HydrophobicContact CG2-SD 3.91Å; V50-D201 HydrophobicContact CG2-CB 3.63Å |
| 51 | K | 96.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -35.8 | 177.8 | -69.9 | 171 | 178.2 | 178.8 | 0 | 111.8 | S47 T48 I49 K54 I55 Y61 V175 L176 T178 | S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.44Å; S47-K51 PolarHBondContact O-N 3.24Å; T48-K51 PolarHBondContact O-N 3.18Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.18Å; K51-K54 PolarHBondContact O-N 2.85Å; K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 3Å; K51-Y61 VanDerWaalsContact CA-OH 3.25Å; K51-Y61 WeakPolarHBondContact CA-OH 3.24Å; K51-Y61 HydrophobicContact CB-CE2 4.44Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.01Å; K51-Y61 VanDerWaalsContact CG-OH 3.27Å; K51-Y61 WeakPolarHBondContact CG-OH 3.31Å; K51-V175 HydrophobicContact CD-CG1 4.47Å; K51-V175 PolarHBondContact NZ-O 3.17Å; K51-L176 HydrophobicContact CB-CD2 3.82Å; K51-T178 PolarHBondContact NZ-O 3.47Å; K51-T178 VanDerWaalsContact NZ-O 3.12Å; K51-T178 PolarHBondContact NZ-OG1 2.99Å |
| 52 | Q | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -34.2 | 175.5 | -71.3 | -76.3 | 20.9 | 0 | 0 | 112.7 | T48 I49 V50 K54 I55 I56 L176 A327 T330 V333 | T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.06Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.04Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; V50-Q52 PolarHBondContact O-N 3.38Å; Q52-K54 PolarHBondContact O-N 3.18Å; Q52-I55 PolarHBondContact O-N 2.95Å; Q52-I55 VanDerWaalsContact O-N 3.08Å; Q52-I56 HydrophobicContact CB-CD1 4.14Å; Q52-I56 WeakPolarHBondContact O-CB 3.35Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 2.8Å; Q52-L176 HydrophobicContact CG-CD2 3.74Å; Q52-A327 VanDerWaalsContact CG-O 3.22Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 2.77Å; Q52-T330 PolarHBondContact NE2-OG1 3.12Å; Q52-T330 PolarHBondContact OE1-OG1 3.21Å; Q52-V333 HydrophobicContact CB-CB 4.37Å; Q52-V333 HydrophobicContact CB-CG1 3.75Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.16Å; Q52-V333 HydrophobicContact CG-CG2 4.12Å |
| 53 | M | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.4 | -62.1 | -58.6 | 91.4 | 0 | 0 | 111.2 | I49 V50 I56 H57 F190 M199 V333 F337 | I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.85Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.17Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 2.86Å; M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.46Å; M53-H57 PolarHBondContact O-N 3.27Å; M53-F190 HydrophobicContact CB-CD1 3.87Å; M53-F190 HydrophobicContact CB-CE1 3.77Å; M53-F190 HydrophobicContact CB-CG 4.36Å; M53-F190 HydrophobicContact CB-CZ 4.17Å; M53-F190 HydrophobicContact CG-CD1 4.25Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.47Å; M53-F190 HydrophobicContact CG-CZ 3.75Å; M53-F190 HydrophobicContact SD-CE1 4.09Å; M53-F190 HydrophobicContact SD-CE2 3.94Å; M53-F190 HydrophobicContact SD-CZ 3.55Å; M53-F190 VanDerWaalsContact SD-CZ 3.55Å; M53-M199 HydrophobicContact CG-CE 3.61Å; M53-M199 HydrophobicContact CG-SD 3.76Å; M53-M199 HydrophobicContact SD-CE 3.98Å; M53-V333 HydrophobicContact CE-CG1 3.8Å; M53-F337 HydrophobicContact CE-CB 4.32Å; M53-F337 HydrophobicContact CE-CD1 4.45Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CE2 4.48Å; M53-F337 HydrophobicContact CE-CG 3.98Å; M53-F337 HydrophobicContact SD-CD1 4.02Å; M53-F337 HydrophobicContact SD-CD2 3.74Å; M53-F337 HydrophobicContact SD-CE1 3.95Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 3.94Å; M53-F337 HydrophobicContact SD-CZ 3.77Å |
| 54 | K | 95 | Very high | 95.9 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 172 | -178.3 | 165.6 | -179.8 | 169.4 | 0 | 112.6 | V50 K51 Q52 E58 G60 Y61 E65 | V50-K54 PolarHBondContact O-N 3.07Å; K51-K54 PolarHBondContact O-N 2.85Å; Q52-K54 PolarHBondContact O-N 3.18Å; K54-E58 HydrophobicContact CG-CB 4.18Å; K54-E58 CarbonylContact O-C 3.59Å; K54-E58 VanDerWaalsContact O-C 3.27Å; K54-E58 WeakPolarHBondContact O-CA 3.46Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.83Å; K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.3Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 2.94Å; K54-Y61 HydrophobicContact CB-CE2 4.48Å; K54-Y61 HydrophobicContact CD-CD1 4.21Å; K54-Y61 HydrophobicContact CD-CE1 3.75Å; K54-Y61 HydrophobicContact CD-CE2 4.3Å; K54-Y61 HydrophobicContact CG-CE2 4.4Å; K54-E65 IonicContact NZ-OE1 2.59Å; K54-E65 PolarHBondContact NZ-OE1 2.83Å; K54-E65 IonicContact NZ-OE2 3.24Å |
| 55 | I | 95.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 177.8 | -63.6 | 175.2 | 0 | 0 | 0 | 112.5 | K51 Q52 Y61 Q172 L176 T330 | K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 3Å; Q52-I55 PolarHBondContact O-N 2.95Å; Q52-I55 VanDerWaalsContact O-N 3.08Å; I55-Y61 HydrophobicContact CD1-CD2 4.2Å; I55-Y61 HydrophobicContact CD1-CE2 3.99Å; I55-Y61 HydrophobicContact CG1-CD2 3.85Å; I55-Y61 HydrophobicContact CG1-CE2 3.7Å; I55-Q172 HydrophobicContact CD1-CB 4.19Å; I55-L176 HydrophobicContact CD1-CD1 3.78Å; I55-L176 HydrophobicContact CD1-CD2 3.83Å; I55-L176 HydrophobicContact CD1-CG 3.78Å; I55-T330 HydrophobicContact CG2-CG2 3.97Å |
| 56 | I | 95.1 | Very high | 96 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -84.7 | -31.9 | -171.9 | -62.3 | 164.7 | 0 | 0 | 0 | 111.2 | Q52 M53 T330 V333 Q334 | Q52-I56 HydrophobicContact CB-CD1 4.14Å; Q52-I56 WeakPolarHBondContact O-CB 3.35Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 2.8Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 2.86Å; I56-T330 HydrophobicContact CD1-CG2 4.25Å; I56-T330 HydrophobicContact CG1-CG2 3.76Å; I56-V333 HydrophobicContact CD1-CB 4.18Å; I56-V333 HydrophobicContact CD1-CG1 3.87Å; I56-Q334 HydrophobicContact CD1-CB 3.96Å; I56-Q334 HydrophobicContact CG1-CB 4.43Å; I56-Q334 HydrophobicContact CG2-CB 4.25Å; I56-Q334 HydrophobicContact CG2-CG 3.88Å |
| 57 | H | 93.2 | Very high | 96 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -123.7 | -7.6 | -169 | -56.2 | -59 | 0 | 0 | 0 | 115.4 | M53 F190 F192 F337 | M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.46Å; M53-H57 PolarHBondContact O-N 3.27Å; H57-F190 HydrophobicContact CB-CB 4.19Å; H57-F190 HydrophobicContact CB-CD2 4.17Å; H57-F190 HydrophobicContact CB-CG 4.49Å; H57-F190 AromaticContact CD2-CD2 3.7Å; H57-F190 AromaticContact CD2-CE2 3.86Å; H57-F192 AromaticContact CE1-CD2 3.26Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.41Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.55Å; H57-F192 AromaticContact ND1-CD2 3.64Å; H57-F337 AromaticContact NE2-CD1 3.87Å |
| 58 | E | 91.3 | Very high | 95.9 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -134.2 | 39.9 | -177.9 | -54.8 | -168.4 | 135.6 | 0 | 0 | 113 | K54 G60 F190 | K54-E58 HydrophobicContact CG-CB 4.18Å; K54-E58 CarbonylContact O-C 3.59Å; K54-E58 VanDerWaalsContact O-C 3.27Å; K54-E58 WeakPolarHBondContact O-CA 3.46Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.83Å; E58-G60 PolarHBondContact O-N 2.85Å; E58-F190 HydrophobicContact CG-CB 4.28Å |
| 59 | D | 92.1 | Very high | 96 | Very high | 169 Ų | 169 | 51.8 Ų | 51.8 | 90% | 0.904 | 25% | 0.25 | S | S | * | . | trans | 60.4 | 5.2 | 178.5 | -56.9 | -47.3 | 0 | 0 | 0 | 115.8 | ||||
| 60 | G | 94.4 | Very high | 96 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | trans | 74.2 | -151.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K54 E58 | K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.3Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 2.94Å; E58-G60 PolarHBondContact O-N 2.85Å | ||
| 61 | Y | 96.2 | Very high | 96 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | trans | -98.8 | 125.3 | -177.7 | -63.3 | -94 | 0 | 0 | 0 | 109.1 | K51 K54 I55 E65 C66 Y69 Q172 V175 | K51-Y61 VanDerWaalsContact CA-OH 3.25Å; K51-Y61 WeakPolarHBondContact CA-OH 3.24Å; K51-Y61 HydrophobicContact CB-CE2 4.44Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.01Å; K51-Y61 VanDerWaalsContact CG-OH 3.27Å; K51-Y61 WeakPolarHBondContact CG-OH 3.31Å; K54-Y61 HydrophobicContact CB-CE2 4.48Å; K54-Y61 HydrophobicContact CD-CD1 4.21Å; K54-Y61 HydrophobicContact CD-CE1 3.75Å; K54-Y61 HydrophobicContact CD-CE2 4.3Å; K54-Y61 HydrophobicContact CG-CE2 4.4Å; I55-Y61 HydrophobicContact CD1-CD2 4.2Å; I55-Y61 HydrophobicContact CD1-CE2 3.99Å; I55-Y61 HydrophobicContact CG1-CD2 3.85Å; I55-Y61 HydrophobicContact CG1-CE2 3.7Å; Y61-E65 HydrophobicContact CD1-CB 4.22Å; Y61-C66 VanDerWaalsContact CB-SG 3.59Å; Y61-Y69 HydrophobicContact CD1-CE2 4.13Å; Y61-Y69 AromaticContact CE1-CE2 3.98Å; Y61-Y69 HydrophobicContact CE1-CE2 3.98Å; Y61-Q172 HydrophobicContact CD2-CG 4.43Å; Y61-V175 HydrophobicContact CD1-CG1 4.22Å; Y61-V175 HydrophobicContact CD2-CG1 4.18Å; Y61-V175 HydrophobicContact CE1-CG1 4.01Å; Y61-V175 HydrophobicContact CE2-CG1 3.99Å; Y61-V175 HydrophobicContact CG-CG1 4.32Å | ||
| 62 | S | 96.7 | Very high | 96 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | trans | -63.4 | 161.3 | 168.3 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | E64 E65 C66 | S62-E64 PolarHBondContact O-N 3.16Å; S62-E65 WeakPolarHBondContact CB-OE2 3.39Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.36Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.35Å; S62-E65 PolarHBondContact OG-OE2 3.25Å; S62-C66 WeakPolarHBondContact O-CB 3.32Å; S62-C66 PolarHBondContact O-N 2.91Å | ||
| 63 | E | 96.8 | Very high | 96.1 | Very high | 117 Ų | 117 | 56.8 Ų | 56.8 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.4 | -38.1 | 177.2 | -168.5 | -169.6 | 122.8 | 0 | 0 | 112.1 | C66 R67 I169 | E63-C66 WeakPolarHBondContact O-CB 3.33Å; E63-C66 PolarHBondContact O-N 3.44Å; E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE1-CZ 3.2Å; E63-R67 IonicContact OE1-NH1 3.72Å; E63-R67 PolarHBondContact OE1-NH1 2.97Å; E63-R67 IonicContact OE1-NH2 2.8Å; E63-R67 PolarHBondContact OE1-NH2 2.8Å; E63-I169 HydrophobicContact CG-CD1 3.9Å; E63-I169 HydrophobicContact CG-CG2 3.94Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å |
| 64 | E | 96.9 | Very high | 96.2 | Very high | 104 Ų | 104 | 56.9 Ų | 56.9 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 179.9 | -173.4 | 55.4 | -157.4 | 0 | 0 | 112.2 | S62 R67 Q68 | S62-E64 PolarHBondContact O-N 3.16Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 2.82Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NH1 2.59Å; E64-R67 PolarHBondContact OE2-NH1 3.18Å; E64-Q68 WeakPolarHBondContact O-CG 3.47Å; E64-Q68 PolarHBondContact O-N 3.49Å |
| 65 | E | 97.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 173.5 | -68.3 | 168.6 | 122 | 0 | 0 | 111.3 | K54 Y61 S62 R67 Q68 Y69 | K54-E65 IonicContact NZ-OE1 2.59Å; K54-E65 PolarHBondContact NZ-OE1 2.83Å; K54-E65 IonicContact NZ-OE2 3.24Å; Y61-E65 HydrophobicContact CD1-CB 4.22Å; S62-E65 WeakPolarHBondContact CB-OE2 3.39Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.36Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.35Å; S62-E65 PolarHBondContact OG-OE2 3.25Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 2.86Å; E65-Q68 WeakPolarHBondContact O-CB 3.31Å; E65-Q68 PolarHBondContact O-N 2.72Å; E65-Q68 VanDerWaalsContact O-N 3.11Å; E65-Y69 VanDerWaalsContact O-CD2 3.3Å; E65-Y69 WeakPolarHBondContact O-CD2 3.5Å |
| 66 | C | 98.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.7 | -42.5 | 172.1 | -80.2 | 0 | 0 | 0 | 0 | 111.7 | Y61 S62 E63 Q68 Y69 I169 P170 | Y61-C66 VanDerWaalsContact CB-SG 3.59Å; S62-C66 WeakPolarHBondContact O-CB 3.32Å; S62-C66 PolarHBondContact O-N 2.91Å; E63-C66 WeakPolarHBondContact O-CB 3.33Å; E63-C66 PolarHBondContact O-N 3.44Å; C66-Q68 PolarHBondContact O-N 3.24Å; C66-Y69 WeakPolarHBondContact O-CB 3.38Å; C66-Y69 PolarHBondContact O-N 2.84Å; C66-I169 HydrophobicContact CB-CG2 4.15Å; C66-P170 WeakPolarHBondContact CB-O 3.4Å; C66-P170 WeakPolarHBondContact O-CD 3.05Å; C66-P170 WeakPolarHBondContact O-CG 3.06Å; C66-P170 PolarHBondContact SG-O 3.09Å |
| 67 | R | 97.3 | Very high | 96.6 | Very high | 93 Ų | 93 | 53.8 Ų | 53.8 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.6 | -34.7 | 176.6 | -174.9 | 176.1 | -78.4 | 110.2 | 4.5 | 112.1 | E63 E64 E65 Y69 R70 | E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE1-CZ 3.2Å; E63-R67 IonicContact OE1-NH1 3.72Å; E63-R67 PolarHBondContact OE1-NH1 2.97Å; E63-R67 IonicContact OE1-NH2 2.8Å; E63-R67 PolarHBondContact OE1-NH2 2.8Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 2.82Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NH1 2.59Å; E64-R67 PolarHBondContact OE2-NH1 3.18Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 2.86Å; R67-Y69 VanDerWaalsContact C-N 3.26Å; R67-Y69 PolarHBondContact O-N 3.29Å; R67-R70 WeakPolarHBondContact O-CB 3.33Å; R67-R70 PolarHBondContact O-N 3Å; R67-R70 VanDerWaalsContact O-N 3.14Å |
| 68 | Q | 96.8 | Very high | 96.8 | Very high | 133 Ų | 133 | 51.7 Ų | 51.7 | 62% | 0.621 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.7 | -26.2 | 176 | -64 | 169.9 | 5.4 | 0 | 0 | 113.2 | E64 E65 C66 R70 | E64-Q68 WeakPolarHBondContact O-CG 3.47Å; E64-Q68 PolarHBondContact O-N 3.49Å; E65-Q68 WeakPolarHBondContact O-CB 3.31Å; E65-Q68 PolarHBondContact O-N 2.72Å; E65-Q68 VanDerWaalsContact O-N 3.11Å; C66-Q68 PolarHBondContact O-N 3.24Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.15Å |
| 69 | Y | 97.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -7.6 | 175.7 | -77.1 | -84.8 | 0 | 0 | 0 | 113.8 | Y61 E65 C66 R67 A71 V72 V73 V175 T178 | Y61-Y69 HydrophobicContact CD1-CE2 4.13Å; Y61-Y69 AromaticContact CE1-CE2 3.98Å; Y61-Y69 HydrophobicContact CE1-CE2 3.98Å; E65-Y69 VanDerWaalsContact O-CD2 3.3Å; E65-Y69 WeakPolarHBondContact O-CD2 3.5Å; C66-Y69 WeakPolarHBondContact O-CB 3.38Å; C66-Y69 PolarHBondContact O-N 2.84Å; R67-Y69 VanDerWaalsContact C-N 3.26Å; R67-Y69 PolarHBondContact O-N 3.29Å; Y69-A71 PolarHBondContact O-N 2.94Å; Y69-V72 WeakPolarHBondContact O-CA 3.33Å; Y69-V72 WeakPolarHBondContact O-CB 3.29Å; Y69-V72 PolarHBondContact O-N 3.26Å; Y69-V73 PolarHBondContact O-N 2.95Å; Y69-V175 HydrophobicContact CD1-CG1 4.18Å; Y69-V175 HydrophobicContact CD2-CB 4.35Å; Y69-V175 HydrophobicContact CD2-CG1 3.79Å; Y69-V175 HydrophobicContact CD2-CG2 3.69Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.65Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.4Å; Y69-V175 HydrophobicContact CG-CG1 4.06Å; Y69-V175 HydrophobicContact CG-CG2 3.84Å; Y69-T178 HydrophobicContact CD1-CG2 4.09Å |
| 70 | R | 97.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.2 | -49.2 | -175 | -176 | 176.9 | 178 | 175.2 | -1.2 | 112.4 | R67 Q68 V72 V73 Y74 Q165 S166 Y168 P170 | R67-R70 WeakPolarHBondContact O-CB 3.33Å; R67-R70 PolarHBondContact O-N 3Å; R67-R70 VanDerWaalsContact O-N 3.14Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.15Å; R70-V72 PolarHBondContact O-N 3.22Å; R70-V73 PolarHBondContact O-N 3.14Å; R70-Y74 HydrophobicContact CG-CD2 4.11Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.56Å; R70-Y74 VanDerWaalsContact CZ-OH 3.27Å; R70-Y74 VanDerWaalsContact NE-CE2 3.32Å; R70-Y74 VanDerWaalsContact NE-CZ 3.31Å; R70-Y74 PolarHBondContact NE-OH 3.29Å; R70-Y74 PolarHBondContact NH2-OH 2.89Å; R70-Y74 PolarHBondContact O-N 2.61Å; R70-Q165 PolarHBondContact NH2-O 3.48Å; R70-S166 PolarHBondContact NH1-O 3.37Å; R70-S166 PolarHBondContact NH2-O 2.76Å; R70-Y168 WeakPolarHBondContact CD-O 3.37Å; R70-Y168 HydrophobicContact CG-CD1 4.15Å; R70-Y168 HydrophobicContact CG-CE1 4.44Å; R70-Y168 PolarHBondContact NE-O 3.23Å; R70-Y168 PolarHBondContact NH1-O 3.02Å; R70-P170 HydrophobicContact CB-CG 3.98Å |
| 71 | A | 97.1 | Very high | 97.6 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 35% | 0.347 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.7 | -34.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y69 Y74 S75 | Y69-A71 PolarHBondContact O-N 2.94Å; A71-Y74 PolarHBondContact O-N 2.59Å; A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.81Å |
| 72 | V | 97.7 | Very high | 97.7 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 22% | 0.218 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 177.7 | -173.4 | 0 | 0 | 0 | 0 | 111 | Y69 R70 Y74 S75 N76 T178 V180 | Y69-V72 WeakPolarHBondContact O-CA 3.33Å; Y69-V72 WeakPolarHBondContact O-CB 3.29Å; Y69-V72 PolarHBondContact O-N 3.26Å; R70-V72 PolarHBondContact O-N 3.22Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 3.22Å; V72-S75 PolarHBondContact O-N 3Å; V72-N76 WeakPolarHBondContact O-CB 3.29Å; V72-N76 PolarHBondContact O-N 3.41Å; V72-N76 PolarHBondContact O-ND2 2.88Å; V72-N76 PolarHBondContact O-OD1 3.02Å; V72-T178 HydrophobicContact CB-CG2 4.24Å; V72-T178 HydrophobicContact CG1-CG2 3.97Å; V72-V180 HydrophobicContact CG1-CG2 3.64Å; V72-V180 HydrophobicContact CG2-CG2 4.47Å |
| 73 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | Y69 R70 N76 T77 Y156 I163 Y168 P170 D174 T178 | Y69-V73 PolarHBondContact O-N 2.95Å; R70-V73 PolarHBondContact O-N 3.14Å; V73-N76 PolarHBondContact O-N 3Å; V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 2.87Å; V73-Y156 HydrophobicContact CB-CE1 4.44Å; V73-Y156 HydrophobicContact CG1-CD1 3.84Å; V73-Y156 HydrophobicContact CG1-CE1 3.66Å; V73-Y156 HydrophobicContact CG2-CE1 4.18Å; V73-I163 HydrophobicContact CG1-CD1 4.42Å; V73-I163 HydrophobicContact CG1-CG2 3.99Å; V73-Y168 HydrophobicContact CB-CE1 4.48Å; V73-Y168 HydrophobicContact CG1-CE1 4.1Å; V73-P170 HydrophobicContact CG2-CB 4.43Å; V73-P170 HydrophobicContact CG2-CG 4.25Å; V73-D174 HydrophobicContact CG2-CB 4.13Å; V73-T178 HydrophobicContact CG2-CG2 3.62Å |
| 74 | Y | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -50.6 | 177.7 | -65.8 | -18.4 | 0 | 0 | 0 | 112.3 | R70 A71 V72 N76 T77 I78 G118 V119 L120 I163 Y168 | R70-Y74 HydrophobicContact CG-CD2 4.11Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.56Å; R70-Y74 VanDerWaalsContact CZ-OH 3.27Å; R70-Y74 VanDerWaalsContact NE-CE2 3.32Å; R70-Y74 VanDerWaalsContact NE-CZ 3.31Å; R70-Y74 PolarHBondContact NE-OH 3.29Å; R70-Y74 PolarHBondContact NH2-OH 2.89Å; R70-Y74 PolarHBondContact O-N 2.61Å; A71-Y74 PolarHBondContact O-N 2.59Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 3.22Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.33Å; Y74-T77 WeakPolarHBondContact O-CB 3.3Å; Y74-T77 PolarHBondContact O-N 2.99Å; Y74-T77 VanDerWaalsContact O-N 3.14Å; Y74-I78 WeakPolarHBondContact O-CB 3.43Å; Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.4Å; Y74-I78 PolarHBondContact O-N 2.56Å; Y74-G118 WeakPolarHBondContact CD2-O 3.41Å; Y74-V119 VanDerWaalsContact CD2-C 3.5Å; Y74-L120 HydrophobicContact CD1-CB 3.78Å; Y74-L120 HydrophobicContact CD1-CD2 4.11Å; Y74-L120 HydrophobicContact CD2-CB 3.97Å; Y74-L120 HydrophobicContact CE1-CB 3.82Å; Y74-L120 HydrophobicContact CE1-CD2 4.15Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.83Å; Y74-I163 HydrophobicContact CD1-CG2 3.77Å; Y74-I163 HydrophobicContact CE1-CG2 3.55Å; Y74-I163 WeakPolarHBondContact CE1-O 3.43Å; Y74-I163 PolarHBondContact OH-O 2.9Å; Y74-Y168 AromaticContact CE1-CD1 3.68Å; Y74-Y168 HydrophobicContact CE1-CD1 3.68Å; Y74-Y168 AromaticContact CE1-CE1 3.98Å; Y74-Y168 HydrophobicContact CE1-CE1 3.98Å; Y74-Y168 AromaticContact CZ-CD1 3.88Å |
| 75 | S | 97.7 | Very high | 98 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.6 | A71 V72 T77 I78 Q79 E115 | A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.81Å; V72-S75 PolarHBondContact O-N 3Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.81Å; S75-I78 PolarHBondContact O-N 2.71Å; S75-Q79 VanDerWaalsContact O-CB 3.25Å; S75-Q79 WeakPolarHBondContact O-CB 3.49Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 2.8Å; S75-Q79 PolarHBondContact OG-NE2 3.05Å; S75-E115 PolarHBondContact OG-OE1 2.9Å; S75-E115 VanDerWaalsContact OG-OE1 3.1Å |
| 76 | N | 98.2 | Very high | 98 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 177.2 | -69.9 | 174.4 | 0 | 0 | 0 | 112.7 | V72 V73 Y74 S80 Y156 T178 R179 | V72-N76 WeakPolarHBondContact O-CB 3.29Å; V72-N76 PolarHBondContact O-N 3.41Å; V72-N76 PolarHBondContact O-ND2 2.88Å; V72-N76 PolarHBondContact O-OD1 3.02Å; V73-N76 PolarHBondContact O-N 3Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.33Å; N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.06Å; N76-S80 PolarHBondContact O-N 3.19Å; N76-S80 VanDerWaalsContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 3.33Å; N76-Y156 HydrophobicContact CB-CD2 4.4Å; N76-Y156 HydrophobicContact CB-CE2 4.07Å; N76-T178 WeakPolarHBondContact OD1-CA 3.44Å; N76-R179 PolarHBondContact ND2-O 3.28Å; N76-R179 PolarHBondContact OD1-N 3Å; N76-R179 PolarHBondContact OD1-O 2.92Å |
| 77 | T | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.5 | -51.5 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | V73 Y74 S75 S80 I81 Y156 L157 L160 | V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 2.87Å; Y74-T77 WeakPolarHBondContact O-CB 3.3Å; Y74-T77 PolarHBondContact O-N 2.99Å; Y74-T77 VanDerWaalsContact O-N 3.14Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.81Å; T77-S80 PolarHBondContact O-N 2.76Å; T77-I81 PolarHBondContact O-N 3.04Å; T77-Y156 WeakPolarHBondContact OG1-CB 3.23Å; T77-L157 HydrophobicContact CG2-CD2 3.89Å; T77-L160 HydrophobicContact CG2-CD1 3.9Å |
| 78 | I | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | -179.9 | -67 | 165.3 | 0 | 0 | 0 | 110.7 | Y74 S75 S80 I81 M82 A114 E115 L120 L124 I128 | Y74-I78 WeakPolarHBondContact O-CB 3.43Å; Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.4Å; Y74-I78 PolarHBondContact O-N 2.56Å; S75-I78 PolarHBondContact O-N 2.71Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.48Å; I78-I81 WeakPolarHBondContact O-CG2 3.35Å; I78-I81 PolarHBondContact O-N 2.8Å; I78-M82 HydrophobicContact CG2-CG 4.36Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.48Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 2.72Å; I78-A114 HydrophobicContact CD1-CB 3.99Å; I78-E115 HydrophobicContact CD1-CG 4.33Å; I78-E115 HydrophobicContact CG2-CG 4.2Å; I78-L120 HydrophobicContact CD1-CD1 4.21Å; I78-L120 HydrophobicContact CG1-CD1 4.21Å; I78-L124 HydrophobicContact CD1-CD2 3.91Å; I78-L124 HydrophobicContact CG1-CD2 4.22Å; I78-I128 HydrophobicContact CG1-CD1 4.1Å |
| 79 | Q | 97.9 | Very high | 98.1 | Very high | 84 Ų | 84 | 27.5 Ų | 27.5 | 39% | 0.393 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.1 | -35.5 | 178.6 | -71.5 | 174.2 | 3.8 | 0 | 0 | 112.3 | S75 A83 E115 | S75-Q79 VanDerWaalsContact O-CB 3.25Å; S75-Q79 WeakPolarHBondContact O-CB 3.49Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 2.8Å; S75-Q79 PolarHBondContact OG-NE2 3.05Å; Q79-A83 VanDerWaalsContact O-CB 3.32Å; Q79-A83 WeakPolarHBondContact O-CB 3.37Å; Q79-A83 PolarHBondContact O-N 3.04Å; Q79-E115 VanDerWaalsContact CG-OE1 3.26Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.21Å; Q79-E115 PolarHBondContact NE2-OE1 3.46Å |
| 80 | S | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -48.5 | 179.1 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | N76 T77 I78 A83 I84 L149 | N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.06Å; N76-S80 PolarHBondContact O-N 3.19Å; N76-S80 VanDerWaalsContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 3.33Å; T77-S80 PolarHBondContact O-N 2.76Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.48Å; S80-A83 PolarHBondContact O-N 3.44Å; S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 3.42Å; S80-I84 VanDerWaalsContact O-N 3.12Å; S80-L149 WeakPolarHBondContact O-CD1 3.36Å |
| 81 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -37.4 | 177.9 | -171.3 | 64.6 | 0 | 0 | 0 | 112 | T77 I78 A83 I84 V85 L107 I128 L131 W132 V137 L157 | T77-I81 PolarHBondContact O-N 3.04Å; I78-I81 WeakPolarHBondContact O-CG2 3.35Å; I78-I81 PolarHBondContact O-N 2.8Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.08Å; I81-I84 PolarHBondContact O-N 3.36Å; I81-V85 HydrophobicContact CD1-CG2 4.49Å; I81-V85 HydrophobicContact CG1-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.91Å; I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 3.95Å; I81-L107 HydrophobicContact CG2-CD2 4.12Å; I81-I128 HydrophobicContact CB-CG2 4.28Å; I81-I128 HydrophobicContact CG1-CG2 4.24Å; I81-I128 HydrophobicContact CG2-CD1 4.04Å; I81-I128 HydrophobicContact CG2-CG1 3.96Å; I81-I128 HydrophobicContact CG2-CG2 4.08Å; I81-L131 HydrophobicContact CD1-CB 4.26Å; I81-L131 HydrophobicContact CG1-CB 4.45Å; I81-W132 HydrophobicContact CD1-CE3 4.34Å; I81-V137 HydrophobicContact CD1-CG1 4.08Å; I81-L157 HydrophobicContact CB-CD2 4.01Å |
| 82 | M | 98.4 | Very high | 98 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 11% | 0.108 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 173.6 | -73 | 171.8 | 79.4 | 0 | 0 | 112.2 | I78 K86 L107 F108 S111 | I78-M82 HydrophobicContact CG2-CG 4.36Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.48Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 2.72Å; M82-K86 WeakPolarHBondContact O-CB 3.33Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.33Å; M82-K86 PolarHBondContact O-N 3.1Å; M82-L107 HydrophobicContact CG-CD1 4.15Å; M82-L107 HydrophobicContact CG-CD2 4.1Å; M82-L107 HydrophobicContact CG-CG 4.05Å; M82-F108 HydrophobicContact CB-CE1 3.98Å; M82-F108 HydrophobicContact CE-CD1 3.67Å; M82-F108 HydrophobicContact CE-CE1 3.86Å; M82-F108 HydrophobicContact CG-CD1 4.33Å; M82-F108 HydrophobicContact CG-CE1 3.95Å; M82-S111 VanDerWaalsContact CE-OG 3.27Å; M82-S111 WeakPolarHBondContact CE-OG 3.44Å; M82-S111 VanDerWaalsContact SD-CB 3.51Å |
| 83 | A | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 22% | 0.223 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q79 S80 I81 K86 A87 L149 | Q79-A83 VanDerWaalsContact O-CB 3.32Å; Q79-A83 WeakPolarHBondContact O-CB 3.37Å; Q79-A83 PolarHBondContact O-N 3.04Å; S80-A83 PolarHBondContact O-N 3.44Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.08Å; A83-K86 PolarHBondContact O-N 3Å; A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 3.14Å; A83-L149 HydrophobicContact CB-CD1 4.14Å |
| 84 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -49.9 | 177 | -61.6 | 159.9 | 0 | 0 | 0 | 110.5 | S80 I81 K86 A87 M88 W132 V137 C140 F141 Y147 L149 L157 | S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 3.42Å; S80-I84 VanDerWaalsContact O-N 3.12Å; I81-I84 PolarHBondContact O-N 3.36Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.25Å; I84-A87 WeakPolarHBondContact O-CB 3.43Å; I84-A87 PolarHBondContact O-N 3.33Å; I84-A87 VanDerWaalsContact O-N 3.08Å; I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 3.2Å; I84-W132 HydrophobicContact CD1-CE3 4.4Å; I84-W132 HydrophobicContact CD1-CZ3 3.8Å; I84-V137 HydrophobicContact CG2-CG1 3.87Å; I84-C140 HydrophobicContact CG2-CB 4.1Å; I84-F141 HydrophobicContact CD1-CD2 4.02Å; I84-Y147 HydrophobicContact CG1-CE2 4.18Å; I84-L149 HydrophobicContact CD1-CD1 4.2Å; I84-L149 HydrophobicContact CD1-CD2 4.18Å; I84-L149 HydrophobicContact CG1-CD1 3.87Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; I84-L157 HydrophobicContact CD1-CD1 4Å |
| 85 | V | 98.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | -179.3 | 174 | 0 | 0 | 0 | 0 | 112 | I81 M88 F95 A104 L107 F108 L131 | I81-V85 HydrophobicContact CD1-CG2 4.49Å; I81-V85 HydrophobicContact CG1-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.91Å; V85-M88 WeakPolarHBondContact O-CB 3.47Å; V85-M88 PolarHBondContact O-N 3.07Å; V85-F95 HydrophobicContact CG1-CZ 4.31Å; V85-A104 HydrophobicContact CG1-CB 3.91Å; V85-L107 HydrophobicContact CB-CD2 4.43Å; V85-L107 HydrophobicContact CG2-CD2 4.02Å; V85-F108 HydrophobicContact CB-CE2 4.41Å; V85-F108 HydrophobicContact CB-CZ 4.19Å; V85-F108 HydrophobicContact CG1-CE2 3.66Å; V85-F108 HydrophobicContact CG1-CZ 3.91Å; V85-L131 HydrophobicContact CG2-CD1 4.38Å |
| 86 | K | 98.2 | Very high | 98.1 | Very high | 125 Ų | 125 | 46.6 Ų | 46.6 | 54% | 0.543 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 172.1 | -77 | 173.2 | 176.4 | 172.1 | 0 | 111.6 | M82 A83 I84 M88 G89 N90 F108 | M82-K86 WeakPolarHBondContact O-CB 3.33Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.33Å; M82-K86 PolarHBondContact O-N 3.1Å; A83-K86 PolarHBondContact O-N 3Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.25Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 2.83Å; K86-G89 PolarHBondContact O-N 2.75Å; K86-N90 PolarHBondContact O-N 3.46Å; K86-F108 HydrophobicContact CD-CE1 4.29Å; K86-F108 HydrophobicContact CG-CE1 4.01Å; K86-F108 HydrophobicContact CG-CZ 3.77Å |
| 87 | A | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -32.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A83 I84 G89 N90 L91 Y147 | A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 3.14Å; I84-A87 WeakPolarHBondContact O-CB 3.43Å; I84-A87 PolarHBondContact O-N 3.33Å; I84-A87 VanDerWaalsContact O-N 3.08Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.25Å; A87-N90 PolarHBondContact O-N 3.34Å; A87-N90 VanDerWaalsContact O-N 3.13Å; A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 3.42Å; A87-Y147 HydrophobicContact CB-CD1 3.38Å; A87-Y147 HydrophobicContact CB-CD2 3.66Å; A87-Y147 HydrophobicContact CB-CE1 3.58Å; A87-Y147 HydrophobicContact CB-CE2 3.85Å; A87-Y147 HydrophobicContact CB-CG 3.42Å; A87-Y147 VanDerWaalsContact CB-CG 3.42Å |
| 88 | M | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.4 | -43.7 | 173.6 | -70.6 | 179.6 | 73.1 | 0 | 0 | 112.1 | I84 V85 K86 L91 Q92 I93 F95 V137 C140 | I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 3.2Å; V85-M88 WeakPolarHBondContact O-CB 3.47Å; V85-M88 PolarHBondContact O-N 3.07Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 2.83Å; M88-L91 PolarHBondContact O-N 3.01Å; M88-Q92 WeakPolarHBondContact O-CA 3.43Å; M88-Q92 PolarHBondContact O-N 2.87Å; M88-I93 HydrophobicContact CB-CB 4.47Å; M88-I93 HydrophobicContact CE-CG2 4.22Å; M88-I93 WeakPolarHBondContact CE-O 3.5Å; M88-I93 HydrophobicContact CG-CB 4.5Å; M88-I93 PolarHBondContact O-N 3.5Å; M88-F95 HydrophobicContact CE-CD1 3.57Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.07Å; M88-F95 HydrophobicContact CE-CZ 4.23Å; M88-F95 HydrophobicContact SD-CD1 4.15Å; M88-F95 HydrophobicContact SD-CE1 3.65Å; M88-F95 HydrophobicContact SD-CZ 4.17Å; M88-V137 HydrophobicContact CE-CG2 4.14Å; M88-V137 HydrophobicContact SD-CB 4.26Å; M88-V137 HydrophobicContact SD-CG2 3.53Å; M88-V137 VanDerWaalsContact SD-CG2 3.53Å; M88-C140 HydrophobicContact CG-CB 3.51Å; M88-C140 VanDerWaalsContact CG-SG 3.55Å; M88-C140 HydrophobicContact SD-CB 4.49Å |
| 89 | G | 96.6 | Very high | 97.9 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K86 A87 Q92 | K86-G89 PolarHBondContact O-N 2.75Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.25Å; G89-Q92 PolarHBondContact O-N 2.87Å |
| 90 | N | 96.3 | Very high | 97.9 | Very high | 141 Ų | 141 | 54.8 Ų | 54.8 | 75% | 0.754 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69 | -37.5 | 179.1 | -66.8 | -13.4 | 0 | 0 | 0 | 112.6 | K86 A87 Q92 | K86-N90 PolarHBondContact O-N 3.46Å; A87-N90 PolarHBondContact O-N 3.34Å; A87-N90 VanDerWaalsContact O-N 3.13Å; N90-Q92 VanDerWaalsContact C-N 3.31Å |
| 91 | L | 97.8 | Very high | 97.9 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -88.4 | 0.4 | -178.2 | -61.8 | -178.6 | 0 | 0 | 0 | 113.3 | A87 M88 I93 R143 E146 Y147 | A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 3.42Å; M88-L91 PolarHBondContact O-N 3.01Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.92Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-I93 PolarHBondContact O-N 3.4Å; L91-R143 HydrophobicContact CD1-CB 4.1Å; L91-E146 HydrophobicContact CD1-CB 4.36Å; L91-E146 HydrophobicContact CD2-CB 4.17Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.49Å; L91-Y147 HydrophobicContact CD1-CD1 4.13Å; L91-Y147 HydrophobicContact CD1-CE1 4.18Å |
| 92 | Q | 97.7 | Very high | 97.8 | Very high | 175 Ų | 175 | 59.7 Ų | 59.7 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 46.4 | -178.1 | -57.4 | -176.6 | -35.8 | 0 | 0 | 112.5 | M88 G89 N90 | M88-Q92 WeakPolarHBondContact O-CA 3.43Å; M88-Q92 PolarHBondContact O-N 2.87Å; G89-Q92 PolarHBondContact O-N 2.87Å; N90-Q92 VanDerWaalsContact C-N 3.31Å |
| 93 | I | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 59 Ų | 59 | 16% | 0.159 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 116.5 | 176.9 | -57.3 | 172.8 | 0 | 0 | 0 | 108 | M88 L91 G136 C140 | M88-I93 HydrophobicContact CB-CB 4.47Å; M88-I93 HydrophobicContact CE-CG2 4.22Å; M88-I93 WeakPolarHBondContact CE-O 3.5Å; M88-I93 HydrophobicContact CG-CB 4.5Å; M88-I93 PolarHBondContact O-N 3.5Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.92Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-I93 PolarHBondContact O-N 3.4Å; I93-G136 WeakPolarHBondContact CG2-O 3.17Å; I93-C140 HydrophobicContact CD1-CB 3.71Å |
| 94 | D | 98.1 | Very high | 97.8 | Very high | 141 Ų | 141 | 58.1 Ų | 58.1 | 75% | 0.754 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 153 | 175.3 | -66 | -39.7 | 0 | 0 | 0 | 111.4 | G136 | D94-G136 WeakPolarHBondContact O-CA 3.22Š|
| 95 | F | 98.5 | Very high | 97.8 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 20% | 0.202 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 141.4 | 165.1 | -63.4 | -73.6 | 0 | 0 | 0 | 109.9 | V85 M88 D97 R100 A101 A104 L131 V137 | V85-F95 HydrophobicContact CG1-CZ 4.31Å; M88-F95 HydrophobicContact CE-CD1 3.57Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.07Å; M88-F95 HydrophobicContact CE-CZ 4.23Å; M88-F95 HydrophobicContact SD-CD1 4.15Å; M88-F95 HydrophobicContact SD-CE1 3.65Å; M88-F95 HydrophobicContact SD-CZ 4.17Å; F95-D97 WeakPolarHBondContact CB-O 3.47Å; F95-R100 HydrophobicContact CB-CB 3.95Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.46Å; F95-R100 HydrophobicContact CD2-CB 4.38Å; F95-R100 HydrophobicContact CE1-CB 4.23Å; F95-R100 HydrophobicContact CG-CB 3.72Å; F95-A101 HydrophobicContact CD2-CB 4.34Å; F95-A101 HydrophobicContact CE2-CB 4.43Å; F95-A104 HydrophobicContact CE2-CB 4.15Å; F95-A104 HydrophobicContact CZ-CB 3.67Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.82Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; F95-V137 HydrophobicContact CD1-CG2 3.95Å; F95-V137 HydrophobicContact CE1-CG2 3.79Å |
| 96 | A | 98.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 51% | 0.512 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -69.1 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D134 H135 | A96-D134 WeakPolarHBondContact CB-OD2 3.43Å; A96-D134 PolarHBondContact N-OD1 3.34Å; A96-D134 PolarHBondContact N-OD2 2.9Å; A96-D134 VanDerWaalsContact N-OD2 3.1Å; A96-H135 HydrophobicContact CB-CB 3.76Å |
| 97 | D | 97.9 | Very high | 97.7 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -101.8 | 112.7 | 167.6 | 177.3 | -6.7 | 0 | 0 | 0 | 110.1 | F95 S99 R100 D134 | F95-D97 WeakPolarHBondContact CB-O 3.47Å; D97-S99 PolarHBondContact O-N 2.78Å; D97-S99 VanDerWaalsContact OD1-CB 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 3.37Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.19Å; D97-S99 PolarHBondContact OD2-OG 2.88Å; D97-R100 HydrophobicContact CB-CG 4.02Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.3Å; D97-R100 VanDerWaalsContact O-CG 3.29Å; D97-R100 WeakPolarHBondContact O-CG 3.23Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD2-CZ 3.59Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.25Å; D97-R100 IonicContact OD2-NH2 3.54Å; D97-D134 PolarHBondContact N-OD2 3.33Å |
| 98 | P | 96.9 | Very high | 97.7 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 69% | 0.688 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -23.6 | 179.6 | -27.4 | 35.4 | 0 | 0 | 0 | 114.7 | R100 A101 | P98-R100 PolarHBondContact O-N 3.11Å; P98-A101 WeakPolarHBondContact O-CB 3.42Å; P98-A101 PolarHBondContact O-N 3.28Å |
| 99 | S | 96.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 69.2 Ų | 69.2 | 40% | 0.399 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.9 | 176.1 | 70.5 | 0 | 0 | 0 | 0 | 113 | D97 A101 D102 | D97-S99 PolarHBondContact O-N 2.78Å; D97-S99 VanDerWaalsContact OD1-CB 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 3.37Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.19Å; D97-S99 PolarHBondContact OD2-OG 2.88Å; S99-A101 PolarHBondContact O-N 2.91Å; S99-D102 PolarHBondContact O-N 3.38Å; S99-D102 VanDerWaalsContact O-N 3.12Å |
| 100 | R | 98.1 | Very high | 97.6 | Very high | 42 Ų | 42 | 68.8 Ų | 68.8 | 16% | 0.158 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -16.9 | 174.2 | -61.3 | -66.7 | 87 | 77.4 | 10 | 113.3 | F95 D97 P98 D102 D103 A104 R130 L131 D134 | F95-R100 HydrophobicContact CB-CB 3.95Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.46Å; F95-R100 HydrophobicContact CD2-CB 4.38Å; F95-R100 HydrophobicContact CE1-CB 4.23Å; F95-R100 HydrophobicContact CG-CB 3.72Å; D97-R100 HydrophobicContact CB-CG 4.02Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.3Å; D97-R100 VanDerWaalsContact O-CG 3.29Å; D97-R100 WeakPolarHBondContact O-CG 3.23Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD2-CZ 3.59Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.25Å; D97-R100 IonicContact OD2-NH2 3.54Å; P98-R100 PolarHBondContact O-N 3.11Å; R100-D102 PolarHBondContact O-N 3.3Å; R100-D103 IonicContact CZ-OD2 3.57Å; R100-D103 IonicContact NE-OD2 3.39Å; R100-D103 PolarHBondContact NE-OD2 3.42Å; R100-D103 IonicContact NH2-OD2 2.71Å; R100-D103 PolarHBondContact NH2-OD2 3.37Å; R100-D103 WeakPolarHBondContact O-CB 3.42Å; R100-D103 PolarHBondContact O-N 3.08Å; R100-D103 VanDerWaalsContact O-N 3.17Å; R100-A104 PolarHBondContact O-N 2.88Å; R100-R130 WeakPolarHBondContact CD-O 3.4Å; R100-L131 HydrophobicContact CB-CD2 4.12Å; R100-D134 HydrophobicContact CG-CB 4.1Å |
| 101 | A | 97.3 | Very high | 97.6 | Very high | 43 Ų | 43 | 62.3 Ų | 62.3 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -30.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F95 P98 S99 R105 | F95-A101 HydrophobicContact CD2-CB 4.34Å; F95-A101 HydrophobicContact CE2-CB 4.43Å; P98-A101 WeakPolarHBondContact O-CB 3.42Å; P98-A101 PolarHBondContact O-N 3.28Å; S99-A101 PolarHBondContact O-N 2.91Å; A101-R105 PolarHBondContact O-N 2.99Å |
| 102 | D | 97.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 33% | 0.326 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.5 | -42.4 | 172.1 | -167.7 | 74.1 | 0 | 0 | 0 | 111.5 | S99 R100 A104 R105 Q106 | S99-D102 PolarHBondContact O-N 3.38Å; S99-D102 VanDerWaalsContact O-N 3.12Å; R100-D102 PolarHBondContact O-N 3.3Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.46Å; D102-R105 WeakPolarHBondContact O-CB 3.46Å; D102-R105 PolarHBondContact O-N 2.82Å; D102-R105 IonicContact OD1-CZ 3.61Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 3.48Å; D102-R105 IonicContact OD1-NH2 2.76Å; D102-R105 PolarHBondContact OD1-NH2 2.61Å; D102-Q106 WeakPolarHBondContact O-CG 3.11Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact OD2-NE2 2.66Å |
| 103 | D | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 174.1 | -72.5 | -39.3 | 0 | 0 | 0 | 111.8 | R100 R105 Q106 L107 V127 R130 L131 | R100-D103 IonicContact CZ-OD2 3.57Å; R100-D103 IonicContact NE-OD2 3.39Å; R100-D103 PolarHBondContact NE-OD2 3.42Å; R100-D103 IonicContact NH2-OD2 2.71Å; R100-D103 PolarHBondContact NH2-OD2 3.37Å; R100-D103 WeakPolarHBondContact O-CB 3.42Å; R100-D103 PolarHBondContact O-N 3.08Å; R100-D103 VanDerWaalsContact O-N 3.17Å; D103-R105 VanDerWaalsContact C-N 3.35Å; D103-R105 PolarHBondContact O-N 3.25Å; D103-Q106 PolarHBondContact O-N 3.36Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 3.44Å; D103-V127 HydrophobicContact CB-CG1 4.12Å; D103-V127 WeakPolarHBondContact O-CG1 3.43Å; D103-R130 IonicContact OD1-CZ 2.91Å; D103-R130 VanDerWaalsContact OD1-CZ 3.28Å; D103-R130 IonicContact OD1-NE 3.29Å; D103-R130 PolarHBondContact OD1-NE 2.86Å; D103-R130 IonicContact OD1-NH2 3.55Å; D103-R130 PolarHBondContact OD1-NH2 2.7Å; D103-R130 IonicContact OD2-CZ 3.3Å; D103-R130 IonicContact OD2-NE 3.51Å; D103-R130 PolarHBondContact OD2-NE 3.19Å; D103-L131 HydrophobicContact CB-CD1 4.35Å; D103-L131 HydrophobicContact CB-CD2 3.89Å; D103-L131 HydrophobicContact CB-CG 3.92Å |
| 104 | A | 98 | Very high | 97.1 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V85 F95 R100 D102 L107 F108 L131 | V85-A104 HydrophobicContact CG1-CB 3.91Å; F95-A104 HydrophobicContact CE2-CB 4.15Å; F95-A104 HydrophobicContact CZ-CB 3.67Å; R100-A104 PolarHBondContact O-N 2.88Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.46Å; A104-L107 PolarHBondContact O-N 3.03Å; A104-F108 WeakPolarHBondContact O-CD2 3.27Å; A104-F108 PolarHBondContact O-N 3.13Å; A104-L131 HydrophobicContact CB-CD2 4.36Å |
| 105 | R | 97.7 | Very high | 96.9 | Very high | 160 Ų | 160 | 53.8 Ų | 53.8 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 173.9 | -75 | -174.8 | -79.2 | 114.8 | -1.4 | 111.4 | A101 D102 D103 F108 A109 | A101-R105 PolarHBondContact O-N 2.99Å; D102-R105 WeakPolarHBondContact O-CB 3.46Å; D102-R105 PolarHBondContact O-N 2.82Å; D102-R105 IonicContact OD1-CZ 3.61Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 3.48Å; D102-R105 IonicContact OD1-NH2 2.76Å; D102-R105 PolarHBondContact OD1-NH2 2.61Å; D103-R105 VanDerWaalsContact C-N 3.35Å; D103-R105 PolarHBondContact O-N 3.25Å; R105-F108 PolarHBondContact O-N 3.46Å; R105-A109 PolarHBondContact O-N 2.95Å; R105-A109 VanDerWaalsContact O-N 3.15Å |
| 106 | Q | 97.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.8 | -67.4 | -176.4 | 39.9 | 0 | 0 | 112 | D102 D103 F108 A109 L110 V127 | D102-Q106 WeakPolarHBondContact O-CG 3.11Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact OD2-NE2 2.66Å; D103-Q106 PolarHBondContact O-N 3.36Å; Q106-F108 PolarHBondContact O-N 3.2Å; Q106-A109 PolarHBondContact O-N 3.44Å; Q106-A109 VanDerWaalsContact O-N 3.15Å; Q106-L110 WeakPolarHBondContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.25Å; Q106-L110 PolarHBondContact O-N 3.45Å; Q106-V127 HydrophobicContact CB-CG1 4.47Å; Q106-V127 HydrophobicContact CB-CG2 3.94Å |
| 107 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -52.3 | -53.4 | 176.4 | 171 | 62 | 0 | 0 | 0 | 111.1 | I81 M82 V85 D103 A104 A109 L110 S111 L124 V127 I128 L131 | I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 3.95Å; I81-L107 HydrophobicContact CG2-CD2 4.12Å; M82-L107 HydrophobicContact CG-CD1 4.15Å; M82-L107 HydrophobicContact CG-CD2 4.1Å; M82-L107 HydrophobicContact CG-CG 4.05Å; V85-L107 HydrophobicContact CB-CD2 4.43Å; V85-L107 HydrophobicContact CG2-CD2 4.02Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 3.44Å; A104-L107 PolarHBondContact O-N 3.03Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.05Å; L107-L110 PolarHBondContact O-N 3.27Å; L107-S111 VanDerWaalsContact O-CB 3.23Å; L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 3Å; L107-S111 PolarHBondContact O-OG 3.26Å; L107-L124 HydrophobicContact CD1-CD1 3.79Å; L107-V127 HydrophobicContact CB-CG1 3.91Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L107-L131 HydrophobicContact CB-CD1 4.01Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.44Å |
| 108 | F | 97.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -28.3 | -179.3 | -68.1 | -64.9 | 0 | 0 | 0 | 113.5 | M82 V85 K86 A104 R105 Q106 S111 | M82-F108 HydrophobicContact CB-CE1 3.98Å; M82-F108 HydrophobicContact CE-CD1 3.67Å; M82-F108 HydrophobicContact CE-CE1 3.86Å; M82-F108 HydrophobicContact CG-CD1 4.33Å; M82-F108 HydrophobicContact CG-CE1 3.95Å; V85-F108 HydrophobicContact CB-CE2 4.41Å; V85-F108 HydrophobicContact CB-CZ 4.19Å; V85-F108 HydrophobicContact CG1-CE2 3.66Å; V85-F108 HydrophobicContact CG1-CZ 3.91Å; K86-F108 HydrophobicContact CD-CE1 4.29Å; K86-F108 HydrophobicContact CG-CE1 4.01Å; K86-F108 HydrophobicContact CG-CZ 3.77Å; A104-F108 WeakPolarHBondContact O-CD2 3.27Å; A104-F108 PolarHBondContact O-N 3.13Å; R105-F108 PolarHBondContact O-N 3.46Å; Q106-F108 PolarHBondContact O-N 3.2Å; F108-S111 PolarHBondContact O-OG 2.9Å |
| 109 | A | 96.9 | Very high | 96.2 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -72.7 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R105 Q106 L107 | R105-A109 PolarHBondContact O-N 2.95Å; R105-A109 VanDerWaalsContact O-N 3.15Å; Q106-A109 PolarHBondContact O-N 3.44Å; Q106-A109 VanDerWaalsContact O-N 3.15Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.05Å |
| 110 | L | 96.5 | Very high | 96.3 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -90.3 | -27.4 | -175.4 | -63.8 | 173.7 | 0 | 0 | 0 | 113.2 | Q106 L107 C112 T113 A114 D123 L124 | Q106-L110 WeakPolarHBondContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.25Å; Q106-L110 PolarHBondContact O-N 3.45Å; L107-L110 PolarHBondContact O-N 3.27Å; L110-C112 PolarHBondContact O-N 3.42Å; L110-T113 PolarHBondContact O-N 3.48Å; L110-A114 PolarHBondContact O-N 2.95Å; L110-A114 VanDerWaalsContact O-N 3.16Å; L110-D123 HydrophobicContact CD1-CB 4.49Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.14Å; L110-L124 HydrophobicContact CB-CD2 4.49Å; L110-L124 HydrophobicContact CD1-CB 4.27Å |
| 111 | S | 95.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | -171.3 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | M82 L107 F108 T113 A114 E115 | M82-S111 VanDerWaalsContact CE-OG 3.27Å; M82-S111 WeakPolarHBondContact CE-OG 3.44Å; M82-S111 VanDerWaalsContact SD-CB 3.51Å; L107-S111 VanDerWaalsContact O-CB 3.23Å; L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 3Å; L107-S111 PolarHBondContact O-OG 3.26Å; F108-S111 PolarHBondContact O-OG 2.9Å; S111-T113 PolarHBondContact O-N 3.41Å; S111-A114 PolarHBondContact O-N 3.24Å; S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 WeakPolarHBondContact O-CG 3.5Å; S111-E115 PolarHBondContact O-N 3.2Å |
| 112 | C | 93.2 | Very high | 96 | Very high | 68 Ų | 68 | 60 Ų | 60 | 46% | 0.459 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | -176 | -164.6 | 0 | 0 | 0 | 0 | 111.3 | L110 E115 E116 | L110-C112 PolarHBondContact O-N 3.42Å; C112-E115 PolarHBondContact O-N 3.32Å; C112-E116 WeakPolarHBondContact O-CG 3.46Å; C112-E116 PolarHBondContact O-N 3.07Å; C112-E116 PolarHBondContact SG-OE1 2.95Å |
| 113 | T | 94.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 111 | L110 S111 E116 Q117 | L110-T113 PolarHBondContact O-N 3.48Å; S111-T113 PolarHBondContact O-N 3.41Å; T113-E116 PolarHBondContact O-N 3.26Å; T113-Q117 HydrophobicContact CG2-CG 4.5Å; T113-Q117 WeakPolarHBondContact O-CB 3.45Å; T113-Q117 WeakPolarHBondContact O-CG 3.34Å; T113-Q117 PolarHBondContact O-N 3.05Å |
| 114 | A | 95.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I78 L110 S111 G118 V119 L124 | I78-A114 HydrophobicContact CD1-CB 3.99Å; L110-A114 PolarHBondContact O-N 2.95Å; L110-A114 VanDerWaalsContact O-N 3.16Å; S111-A114 PolarHBondContact O-N 3.24Å; A114-G118 PolarHBondContact O-N 3.47Å; A114-V119 PolarHBondContact O-N 3.45Å; A114-L124 HydrophobicContact CB-CD2 3.45Å; A114-L124 VanDerWaalsContact CB-CD2 3.45Å |
| 115 | E | 94.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 176.8 | -73 | -169.9 | 100.3 | 0 | 0 | 112.3 | S75 I78 Q79 S111 C112 Q117 G118 | S75-E115 PolarHBondContact OG-OE1 2.9Å; S75-E115 VanDerWaalsContact OG-OE1 3.1Å; I78-E115 HydrophobicContact CD1-CG 4.33Å; I78-E115 HydrophobicContact CG2-CG 4.2Å; Q79-E115 VanDerWaalsContact CG-OE1 3.26Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.21Å; Q79-E115 PolarHBondContact NE2-OE1 3.46Å; S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 WeakPolarHBondContact O-CG 3.5Å; S111-E115 PolarHBondContact O-N 3.2Å; C112-E115 PolarHBondContact O-N 3.32Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.19Å; E115-G118 PolarHBondContact O-N 2.67Å |
| 116 | E | 93.9 | Very high | 95.9 | Very high | 154 Ų | 154 | 54 Ų | 54 | 72% | 0.72 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.2 | -38.4 | 177.4 | -76.2 | 173.2 | -167.4 | 0 | 0 | 112.5 | C112 T113 | C112-E116 WeakPolarHBondContact O-CG 3.46Å; C112-E116 PolarHBondContact O-N 3.07Å; C112-E116 PolarHBondContact SG-OE1 2.95Å; T113-E116 PolarHBondContact O-N 3.26Å |
| 117 | Q | 94.5 | Very high | 95.9 | Very high | 131 Ų | 131 | 50.8 Ų | 50.8 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -84.8 | -12.6 | 179 | -69.1 | 179.3 | 1.3 | 0 | 0 | 113.3 | T113 E115 V119 | T113-Q117 HydrophobicContact CG2-CG 4.5Å; T113-Q117 WeakPolarHBondContact O-CB 3.45Å; T113-Q117 WeakPolarHBondContact O-CG 3.34Å; T113-Q117 PolarHBondContact O-N 3.05Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.19Å; Q117-V119 VanDerWaalsContact C-N 3.33Å; Q117-V119 HydrophobicContact CB-CG1 4.45Å; Q117-V119 HydrophobicContact CB-CG2 3.77Å; Q117-V119 PolarHBondContact O-N 3.08Å |
| 118 | G | 94.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 34.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y74 A114 E115 | Y74-G118 WeakPolarHBondContact CD2-O 3.41Å; A114-G118 PolarHBondContact O-N 3.47Å; E115-G118 PolarHBondContact O-N 2.67Å |
| 119 | V | 95.3 | Very high | 96 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | trans | -124.2 | 162.9 | -178 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | Y74 A114 Q117 P121 | Y74-V119 VanDerWaalsContact CD2-C 3.5Å; A114-V119 PolarHBondContact O-N 3.45Å; Q117-V119 VanDerWaalsContact C-N 3.33Å; Q117-V119 HydrophobicContact CB-CG1 4.45Å; Q117-V119 HydrophobicContact CB-CG2 3.77Å; Q117-V119 PolarHBondContact O-N 3.08Å; V119-P121 HydrophobicContact CG2-CG 3.93Å | ||
| 120 | L | 96.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | trans | -125.8 | 89.3 | 171.8 | -177.9 | 61.8 | 0 | 0 | 0 | 108.8 | Y74 I78 L124 I128 L160 I163 A164 | Y74-L120 HydrophobicContact CD1-CB 3.78Å; Y74-L120 HydrophobicContact CD1-CD2 4.11Å; Y74-L120 HydrophobicContact CD2-CB 3.97Å; Y74-L120 HydrophobicContact CE1-CB 3.82Å; Y74-L120 HydrophobicContact CE1-CD2 4.15Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.83Å; I78-L120 HydrophobicContact CD1-CD1 4.21Å; I78-L120 HydrophobicContact CG1-CD1 4.21Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; L120-I128 HydrophobicContact CD1-CD1 4.04Å; L120-L160 HydrophobicContact CD2-CD1 3.94Å; L120-I163 HydrophobicContact CD2-CG2 4.17Å; L120-A164 HydrophobicContact CD2-CB 4.12Å | ||
| 121 | P | 95.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 31% | 0.312 | 27% | 0.268 | S | S | . | . | trans | -67.9 | 156.7 | -177.3 | -22.2 | 36.6 | 0 | 0 | 0 | 112.7 | V119 D123 L124 S125 | V119-P121 HydrophobicContact CG2-CG 3.93Å; P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 VanDerWaalsContact CB-OD1 3.23Å; P121-D123 WeakPolarHBondContact CB-OD1 3.28Å; P121-D123 PolarHBondContact O-N 2.88Å; P121-L124 PolarHBondContact O-N 2.88Å; P121-S125 PolarHBondContact O-N 2.79Å | ||
| 122 | D | 95.7 | Very high | 96.3 | Very high | 129 Ų | 129 | 51.9 Ų | 51.9 | 69% | 0.69 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.1 | -35 | -174.7 | -71.4 | -22.3 | 0 | 0 | 0 | 114 | S125 G126 | D122-S125 WeakPolarHBondContact CA-OG 3.39Å; D122-S125 PolarHBondContact O-OG 3.26Å; D122-S125 VanDerWaalsContact O-OG 3.14Å; D122-G126 PolarHBondContact O-N 3.11Å |
| 123 | D | 95.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 175.8 | 58.8 | -13.5 | 0 | 0 | 0 | 111 | L110 P121 G126 V127 | L110-D123 HydrophobicContact CD1-CB 4.49Å; P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 VanDerWaalsContact CB-OD1 3.23Å; P121-D123 WeakPolarHBondContact CB-OD1 3.28Å; P121-D123 PolarHBondContact O-N 2.88Å; D123-G126 PolarHBondContact O-N 3.1Å; D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 2.8Å |
| 124 | L | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 176.5 | 179.4 | 56.2 | 0 | 0 | 0 | 111.6 | I78 L107 L110 A114 L120 P121 G126 V127 I128 | I78-L124 HydrophobicContact CD1-CD2 3.91Å; I78-L124 HydrophobicContact CG1-CD2 4.22Å; L107-L124 HydrophobicContact CD1-CD1 3.79Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.14Å; L110-L124 HydrophobicContact CB-CD2 4.49Å; L110-L124 HydrophobicContact CD1-CB 4.27Å; A114-L124 HydrophobicContact CB-CD2 3.45Å; A114-L124 VanDerWaalsContact CB-CD2 3.45Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; P121-L124 PolarHBondContact O-N 2.88Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 2.83Å; L124-V127 WeakPolarHBondContact O-CB 3.38Å; L124-V127 PolarHBondContact O-N 2.82Å; L124-I128 HydrophobicContact CD1-CD1 4.03Å; L124-I128 HydrophobicContact CD1-CG1 4.05Å; L124-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CG-CG1 4.41Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.84Å |
| 125 | S | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 178.3 | 78.9 | 0 | 0 | 0 | 0 | 111.6 | P121 D122 I128 R129 | P121-S125 PolarHBondContact O-N 2.79Å; D122-S125 WeakPolarHBondContact CA-OG 3.39Å; D122-S125 PolarHBondContact O-OG 3.26Å; D122-S125 VanDerWaalsContact O-OG 3.14Å; S125-I128 PolarHBondContact O-N 3.02Å; S125-R129 WeakPolarHBondContact O-CB 3.3Å; S125-R129 PolarHBondContact O-N 3.02Å |
| 126 | G | 97.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | D122 D123 L124 R129 R130 | D122-G126 PolarHBondContact O-N 3.11Å; D123-G126 PolarHBondContact O-N 3.1Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 2.83Å; G126-R129 PolarHBondContact O-N 2.72Å; G126-R130 WeakPolarHBondContact O-CG 3.36Å; G126-R130 PolarHBondContact O-N 3.04Å; G126-R130 VanDerWaalsContact O-N 3.14Å; G126-R130 PolarHBondContact O-NH1 3.24Å |
| 127 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -51 | 174 | 163.9 | 0 | 0 | 0 | 0 | 111.1 | D103 Q106 L107 D123 L124 R129 R130 L131 | D103-V127 HydrophobicContact CB-CG1 4.12Å; D103-V127 WeakPolarHBondContact O-CG1 3.43Å; Q106-V127 HydrophobicContact CB-CG1 4.47Å; Q106-V127 HydrophobicContact CB-CG2 3.94Å; L107-V127 HydrophobicContact CB-CG1 3.91Å; D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 2.8Å; L124-V127 WeakPolarHBondContact O-CB 3.38Å; L124-V127 PolarHBondContact O-N 2.82Å; V127-R129 VanDerWaalsContact C-N 3.28Å; V127-R129 PolarHBondContact O-N 3.26Å; V127-R130 PolarHBondContact O-N 3.15Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 2.68Å |
| 128 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | -179.7 | -65.3 | 176.1 | 0 | 0 | 0 | 110.4 | I78 I81 L107 L120 L124 S125 L131 W132 L157 L160 | I78-I128 HydrophobicContact CG1-CD1 4.1Å; I81-I128 HydrophobicContact CB-CG2 4.28Å; I81-I128 HydrophobicContact CG1-CG2 4.24Å; I81-I128 HydrophobicContact CG2-CD1 4.04Å; I81-I128 HydrophobicContact CG2-CG1 3.96Å; I81-I128 HydrophobicContact CG2-CG2 4.08Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L120-I128 HydrophobicContact CD1-CD1 4.04Å; L124-I128 HydrophobicContact CD1-CD1 4.03Å; L124-I128 HydrophobicContact CD1-CG1 4.05Å; L124-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CG-CG1 4.41Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.84Å; S125-I128 PolarHBondContact O-N 3.02Å; I128-L131 PolarHBondContact O-N 2.96Å; I128-W132 VanDerWaalsContact O-CB 3.3Å; I128-W132 WeakPolarHBondContact O-CB 3.26Å; I128-W132 PolarHBondContact O-N 3.42Å; I128-L157 HydrophobicContact CG2-CD2 3.67Å; I128-L160 HydrophobicContact CB-CD2 3.9Å; I128-L160 HydrophobicContact CG2-CD1 4.31Å; I128-L160 HydrophobicContact CG2-CD2 3.6Å |
| 129 | R | 98.3 | Very high | 97.7 | Very high | 109 Ų | 109 | 45 Ų | 45 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.8 | -47 | 178 | -171.2 | -168.5 | -54.7 | -124.3 | -2.2 | 112.6 | S125 G126 V127 L131 W132 A133 L160 E161 | S125-R129 WeakPolarHBondContact O-CB 3.3Å; S125-R129 PolarHBondContact O-N 3.02Å; G126-R129 PolarHBondContact O-N 2.72Å; V127-R129 VanDerWaalsContact C-N 3.28Å; V127-R129 PolarHBondContact O-N 3.26Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-W132 PolarHBondContact O-N 2.87Å; R129-A133 WeakPolarHBondContact O-CB 3.48Å; R129-A133 PolarHBondContact O-N 3.27Å; R129-L160 HydrophobicContact CB-CD2 3.93Å; R129-E161 IonicContact CZ-OE2 3.28Å; R129-E161 IonicContact NH1-OE2 3.05Å; R129-E161 PolarHBondContact NH1-OE2 3.12Å; R129-E161 IonicContact NH2-OE2 3.03Å; R129-E161 PolarHBondContact NH2-OE2 3.02Å |
| 130 | R | 98.5 | Very high | 97.9 | Very high | 98 Ų | 98 | 42.3 Ų | 42.3 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.9 | -73.1 | -170.3 | -61.8 | -83.7 | 4 | 111.7 | R100 D103 G126 V127 D134 | R100-R130 WeakPolarHBondContact CD-O 3.4Å; D103-R130 IonicContact OD1-CZ 2.91Å; D103-R130 VanDerWaalsContact OD1-CZ 3.28Å; D103-R130 IonicContact OD1-NE 3.29Å; D103-R130 PolarHBondContact OD1-NE 2.86Å; D103-R130 IonicContact OD1-NH2 3.55Å; D103-R130 PolarHBondContact OD1-NH2 2.7Å; D103-R130 IonicContact OD2-CZ 3.3Å; D103-R130 IonicContact OD2-NE 3.51Å; D103-R130 PolarHBondContact OD2-NE 3.19Å; G126-R130 WeakPolarHBondContact O-CG 3.36Å; G126-R130 PolarHBondContact O-N 3.04Å; G126-R130 VanDerWaalsContact O-N 3.14Å; G126-R130 PolarHBondContact O-NH1 3.24Å; V127-R130 PolarHBondContact O-N 3.15Å; R130-D134 PolarHBondContact O-N 2.82Å |
| 131 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -49.6 | 174.6 | -70.2 | 169.6 | 0 | 0 | 0 | 111 | I81 V85 F95 R100 D103 A104 L107 V127 I128 R129 A133 D134 V137 | I81-L131 HydrophobicContact CD1-CB 4.26Å; I81-L131 HydrophobicContact CG1-CB 4.45Å; V85-L131 HydrophobicContact CG2-CD1 4.38Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.82Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; R100-L131 HydrophobicContact CB-CD2 4.12Å; D103-L131 HydrophobicContact CB-CD1 4.35Å; D103-L131 HydrophobicContact CB-CD2 3.89Å; D103-L131 HydrophobicContact CB-CG 3.92Å; A104-L131 HydrophobicContact CB-CD2 4.36Å; L107-L131 HydrophobicContact CB-CD1 4.01Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.44Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 2.68Å; I128-L131 PolarHBondContact O-N 2.96Å; R129-L131 VanDerWaalsContact C-N 3.35Å; L131-A133 PolarHBondContact O-N 2.88Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.25Å; L131-V137 WeakPolarHBondContact O-CB 3.41Å; L131-V137 WeakPolarHBondContact O-CG1 3.22Å; L131-V137 WeakPolarHBondContact O-CG2 3.28Å |
| 132 | W | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.076 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -32.2 | -178.4 | -173.7 | -124 | 0 | 0 | 0 | 112.9 | I81 I84 I128 R129 D134 V137 Q138 F141 L157 N158 | I81-W132 HydrophobicContact CD1-CE3 4.34Å; I84-W132 HydrophobicContact CD1-CE3 4.4Å; I84-W132 HydrophobicContact CD1-CZ3 3.8Å; I128-W132 VanDerWaalsContact O-CB 3.3Å; I128-W132 WeakPolarHBondContact O-CB 3.26Å; I128-W132 PolarHBondContact O-N 3.42Å; R129-W132 PolarHBondContact O-N 2.87Å; W132-D134 VanDerWaalsContact C-N 3.29Å; W132-D134 PolarHBondContact O-N 2.82Å; W132-V137 HydrophobicContact CE3-CG1 4.08Å; W132-Q138 VanDerWaalsContact CE3-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.34Å; W132-Q138 PolarHBondContact O-NE2 3.02Å; W132-F141 HydrophobicContact CH2-CB 4.08Å; W132-F141 AromaticContact CH2-CD1 3.78Å; W132-F141 HydrophobicContact CH2-CD1 3.78Å; W132-F141 AromaticContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CE1 4.18Å; W132-F141 HydrophobicContact CH2-CE2 4.14Å; W132-F141 AromaticContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CZ 4.37Å; W132-F141 HydrophobicContact CZ3-CB 3.93Å; W132-F141 HydrophobicContact CZ3-CD1 4.49Å; W132-F141 HydrophobicContact CZ3-CD2 4.04Å; W132-F141 AromaticContact CZ3-CG 3.88Å; W132-F141 HydrophobicContact CZ3-CG 3.88Å; W132-L157 VanDerWaalsContact CD1-O 3.28Å; W132-L157 HydrophobicContact CD2-CB 3.66Å; W132-L157 HydrophobicContact CD2-CD1 3.93Å; W132-L157 HydrophobicContact CD2-CG 4.32Å; W132-L157 VanDerWaalsContact CE2-CB 3.5Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CG-CB 3.85Å; W132-L157 HydrophobicContact CH2-CD1 4.13Å; W132-L157 HydrophobicContact CZ2-CB 4.02Å; W132-L157 HydrophobicContact CZ2-CD1 4.35Å; W132-L157 HydrophobicContact CZ3-CD1 3.8Å; W132-N158 PolarHBondContact NE1-OD1 3.46Å |
| 133 | A | 98.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R129 L131 | R129-A133 WeakPolarHBondContact O-CB 3.48Å; R129-A133 PolarHBondContact O-N 3.27Å; L131-A133 PolarHBondContact O-N 2.88Å |
| 134 | D | 98.7 | Very high | 98.1 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | trans | -72.2 | 134.3 | -178.5 | -177.2 | -93.8 | 0 | 0 | 0 | 111.9 | A96 D97 R100 R130 L131 W132 G136 V137 Q138 | A96-D134 WeakPolarHBondContact CB-OD2 3.43Å; A96-D134 PolarHBondContact N-OD1 3.34Å; A96-D134 PolarHBondContact N-OD2 2.9Å; A96-D134 VanDerWaalsContact N-OD2 3.1Å; D97-D134 PolarHBondContact N-OD2 3.33Å; R100-D134 HydrophobicContact CG-CB 4.1Å; R130-D134 PolarHBondContact O-N 2.82Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.25Å; W132-D134 VanDerWaalsContact C-N 3.29Å; W132-D134 PolarHBondContact O-N 2.82Å; D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.38Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.33Å; D134-G136 PolarHBondContact OD1-N 3.01Å; D134-V137 HydrophobicContact CB-CB 4.17Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 2.97Å; D134-V137 PolarHBondContact OD1-N 3.48Å; D134-Q138 WeakPolarHBondContact O-CG 3.48Å; D134-Q138 PolarHBondContact O-N 3.14Å | ||
| 135 | H | 98.4 | Very high | 98 | Very high | 151 Ų | 151 | 45.5 Ų | 45.5 | 70% | 0.699 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.5 | -29.1 | -178.3 | -71.4 | -68 | 0 | 0 | 0 | 113.7 | A96 A139 | A96-H135 HydrophobicContact CB-CB 3.76Å; H135-A139 VanDerWaalsContact O-CB 3.3Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.44Å |
| 136 | G | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I93 D94 D134 A139 C140 | I93-G136 WeakPolarHBondContact CG2-O 3.17Å; D94-G136 WeakPolarHBondContact O-CA 3.22Å; D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.38Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.33Å; D134-G136 PolarHBondContact OD1-N 3.01Å; G136-A139 PolarHBondContact O-N 2.95Å; G136-C140 PolarHBondContact O-N 2.91Å |
| 137 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | I81 I84 M88 F95 L131 W132 D134 A139 C140 F141 | I81-V137 HydrophobicContact CD1-CG1 4.08Å; I84-V137 HydrophobicContact CG2-CG1 3.87Å; M88-V137 HydrophobicContact CE-CG2 4.14Å; M88-V137 HydrophobicContact SD-CB 4.26Å; M88-V137 HydrophobicContact SD-CG2 3.53Å; M88-V137 VanDerWaalsContact SD-CG2 3.53Å; F95-V137 HydrophobicContact CD1-CG2 3.95Å; F95-V137 HydrophobicContact CE1-CG2 3.79Å; L131-V137 WeakPolarHBondContact O-CB 3.41Å; L131-V137 WeakPolarHBondContact O-CG1 3.22Å; L131-V137 WeakPolarHBondContact O-CG2 3.28Å; W132-V137 HydrophobicContact CE3-CG1 4.08Å; D134-V137 HydrophobicContact CB-CB 4.17Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 2.97Å; D134-V137 PolarHBondContact OD1-N 3.48Å; V137-A139 PolarHBondContact O-N 3.49Å; V137-C140 WeakPolarHBondContact O-CB 3.19Å; V137-C140 PolarHBondContact O-N 3.48Å; V137-F141 PolarHBondContact O-N 3.39Å |
| 138 | Q | 98.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.6 | -71.8 | -63 | -42.6 | 0 | 0 | 112.5 | W132 D134 C140 F141 G142 | W132-Q138 VanDerWaalsContact CE3-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.34Å; W132-Q138 PolarHBondContact O-NE2 3.02Å; D134-Q138 WeakPolarHBondContact O-CG 3.48Å; D134-Q138 PolarHBondContact O-N 3.14Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.49Å; Q138-F141 WeakPolarHBondContact O-CB 3.43Å; Q138-F141 PolarHBondContact O-N 3.01Å; Q138-G142 PolarHBondContact O-N 3.03Å |
| 139 | A | 98.3 | Very high | 97.8 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | H135 G136 V137 G142 | H135-A139 VanDerWaalsContact O-CB 3.3Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.44Å; G136-A139 PolarHBondContact O-N 2.95Å; V137-A139 PolarHBondContact O-N 3.49Å; A139-G142 PolarHBondContact O-N 3.36Å |
| 140 | C | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | I84 M88 I93 G136 V137 Q138 G142 R143 Y147 | I84-C140 HydrophobicContact CG2-CB 4.1Å; M88-C140 HydrophobicContact CG-CB 3.51Å; M88-C140 VanDerWaalsContact CG-SG 3.55Å; M88-C140 HydrophobicContact SD-CB 4.49Å; I93-C140 HydrophobicContact CD1-CB 3.71Å; G136-C140 PolarHBondContact O-N 2.91Å; V137-C140 WeakPolarHBondContact O-CB 3.19Å; V137-C140 PolarHBondContact O-N 3.48Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.49Å; C140-G142 VanDerWaalsContact C-N 3.31Å; C140-G142 PolarHBondContact O-N 3.46Å; C140-R143 CarbonylContact O-C 3.27Å; C140-R143 WeakPolarHBondContact O-CA 3.31Å; C140-R143 PolarHBondContact O-N 3.49Å; C140-Y147 WeakPolarHBondContact O-CE1 3.48Å; C140-Y147 PolarHBondContact O-OH 2.98Å |
| 141 | F | 98.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 172.9 | 176.9 | -104.1 | 0 | 0 | 0 | 112.2 | I84 W132 V137 Q138 R143 S144 Y147 L149 A153 A154 | I84-F141 HydrophobicContact CD1-CD2 4.02Å; W132-F141 HydrophobicContact CH2-CB 4.08Å; W132-F141 AromaticContact CH2-CD1 3.78Å; W132-F141 HydrophobicContact CH2-CD1 3.78Å; W132-F141 AromaticContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CE1 4.18Å; W132-F141 HydrophobicContact CH2-CE2 4.14Å; W132-F141 AromaticContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CZ 4.37Å; W132-F141 HydrophobicContact CZ3-CB 3.93Å; W132-F141 HydrophobicContact CZ3-CD1 4.49Å; W132-F141 HydrophobicContact CZ3-CD2 4.04Å; W132-F141 AromaticContact CZ3-CG 3.88Å; W132-F141 HydrophobicContact CZ3-CG 3.88Å; V137-F141 PolarHBondContact O-N 3.39Å; Q138-F141 WeakPolarHBondContact O-CB 3.43Å; Q138-F141 PolarHBondContact O-N 3.01Å; F141-R143 PolarHBondContact O-N 3.2Å; F141-R143 VanDerWaalsContact O-N 3.1Å; F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 3.29Å; F141-S144 PolarHBondContact O-OG 2.95Å; F141-Y147 WeakPolarHBondContact CA-OH 3.38Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.56Å; F141-A153 HydrophobicContact CE2-CB 4.39Å; F141-A154 HydrophobicContact CE1-CB 4.29Å; F141-A154 HydrophobicContact CE2-CB 4.35Å; F141-A154 HydrophobicContact CZ-CB 3.69Å |
| 142 | G | 96.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q138 A139 C140 | Q138-G142 PolarHBondContact O-N 3.03Å; A139-G142 PolarHBondContact O-N 3.36Å; C140-G142 VanDerWaalsContact C-N 3.31Å; C140-G142 PolarHBondContact O-N 3.46Å |
| 143 | R | 96.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 20.2 | 174.5 | -66.1 | 176.1 | 66.8 | -173.7 | 0.3 | 112.5 | L91 C140 F141 R145 E146 Y147 | L91-R143 HydrophobicContact CD1-CB 4.1Å; C140-R143 CarbonylContact O-C 3.27Å; C140-R143 WeakPolarHBondContact O-CA 3.31Å; C140-R143 PolarHBondContact O-N 3.49Å; F141-R143 PolarHBondContact O-N 3.2Å; F141-R143 VanDerWaalsContact O-N 3.1Å; R143-R145 PolarHBondContact O-N 3.41Å; R143-E146 WeakPolarHBondContact CB-OE1 3.38Å; R143-E146 IonicContact CZ-OE1 3.45Å; R143-E146 IonicContact CZ-OE2 2.69Å; R143-E146 IonicContact NE-OE1 2.68Å; R143-E146 PolarHBondContact NE-OE1 2.71Å; R143-E146 IonicContact NE-OE2 2.63Å; R143-E146 IonicContact NH2-OE1 3.42Å; R143-E146 PolarHBondContact NH2-OE1 3.31Å; R143-E146 IonicContact NH2-OE2 3.51Å; R143-E146 PolarHBondContact NH2-OE2 2.78Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 2.82Å; R143-Y147 WeakPolarHBondContact O-CE1 3.22Å |
| 144 | S | 96.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -58.6 | -11.7 | -177.2 | 49.6 | 0 | 0 | 0 | 0 | 115.7 | F141 E146 | F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 3.29Å; F141-S144 PolarHBondContact O-OG 2.95Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.29Å |
| 145 | R | 94.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -71 | -19.5 | 169.3 | 72.7 | 178.3 | -174.4 | -173 | 2.2 | 114.1 | R143 Y147 L233 S282 | R143-R145 PolarHBondContact O-N 3.41Å; R145-Y147 VanDerWaalsContact C-N 3.32Å; R145-L233 HydrophobicContact CB-CD2 3.87Å; R145-S282 PolarHBondContact NH1-OG 3.13Å; R145-S282 VanDerWaalsContact NH1-OG 3.1Å |
| 146 | E | 96 | Very high | 97.3 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -87.5 | -1 | -176.1 | -61.5 | 177.3 | -127.9 | 0 | 0 | 112.8 | L91 R143 S144 | L91-E146 HydrophobicContact CD1-CB 4.36Å; L91-E146 HydrophobicContact CD2-CB 4.17Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.49Å; R143-E146 WeakPolarHBondContact CB-OE1 3.38Å; R143-E146 IonicContact CZ-OE1 3.45Å; R143-E146 IonicContact CZ-OE2 2.69Å; R143-E146 IonicContact NE-OE1 2.68Å; R143-E146 PolarHBondContact NE-OE1 2.71Å; R143-E146 IonicContact NE-OE2 2.63Å; R143-E146 IonicContact NH2-OE1 3.42Å; R143-E146 PolarHBondContact NH2-OE1 3.31Å; R143-E146 IonicContact NH2-OE2 3.51Å; R143-E146 PolarHBondContact NH2-OE2 2.78Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 2.82Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.29Å |
| 147 | Y | 97.2 | Very high | 97.3 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -152.5 | 173.7 | 177.1 | 57.9 | -85 | 0 | 0 | 0 | 110.8 | I84 A87 L91 C140 F141 R143 R145 L149 | I84-Y147 HydrophobicContact CG1-CE2 4.18Å; A87-Y147 HydrophobicContact CB-CD1 3.38Å; A87-Y147 HydrophobicContact CB-CD2 3.66Å; A87-Y147 HydrophobicContact CB-CE1 3.58Å; A87-Y147 HydrophobicContact CB-CE2 3.85Å; A87-Y147 HydrophobicContact CB-CG 3.42Å; A87-Y147 VanDerWaalsContact CB-CG 3.42Å; L91-Y147 HydrophobicContact CD1-CD1 4.13Å; L91-Y147 HydrophobicContact CD1-CE1 4.18Å; C140-Y147 WeakPolarHBondContact O-CE1 3.48Å; C140-Y147 PolarHBondContact O-OH 2.98Å; F141-Y147 WeakPolarHBondContact CA-OH 3.38Å; R143-Y147 WeakPolarHBondContact O-CE1 3.22Å; R145-Y147 VanDerWaalsContact C-N 3.32Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.91Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.39Å; Y147-L149 PolarHBondContact O-N 2.84Å |
| 148 | Q | 96.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | trans | -85.6 | 112.3 | -179 | -57.5 | -61.6 | -36.1 | 0 | 0 | 110.1 | V234 A236 | Q148-V234 PolarHBondContact NE2-O 2.85Å; Q148-A236 HydrophobicContact CG-CB 4.3Å | ||
| 149 | L | 97.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | trans | -132.5 | 140.5 | 176.5 | -172.1 | 62.3 | 0 | 0 | 0 | 110.8 | S80 A83 I84 F141 Y147 A153 | S80-L149 WeakPolarHBondContact O-CD1 3.36Å; A83-L149 HydrophobicContact CB-CD1 4.14Å; I84-L149 HydrophobicContact CD1-CD1 4.2Å; I84-L149 HydrophobicContact CD1-CD2 4.18Å; I84-L149 HydrophobicContact CG1-CD1 3.87Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.56Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.91Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.39Å; Y147-L149 PolarHBondContact O-N 2.84Å; L149-A153 HydrophobicContact CD1-CB 3.87Å; L149-A153 HydrophobicContact CD2-CB 4.03Å; L149-A153 HydrophobicContact CG-CB 3.89Å | ||
| 150 | N | 94.9 | Very high | 97.2 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | trans | -70.8 | 134.6 | 174.9 | -71.3 | -35.7 | 0 | 0 | 0 | 110.4 | S152 A153 | N150-S152 PolarHBondContact O-N 3.39Å; N150-A153 WeakPolarHBondContact O-CB 3.34Å; N150-A153 PolarHBondContact O-N 3.07Å | ||
| 151 | D | 94.8 | Very high | 97.1 | Very high | 60 Ų | 60 | 50 Ų | 50 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.8 | 177.6 | -65.1 | -28.4 | 0 | 0 | 0 | 113.6 | A153 K271 L274 | D151-A153 PolarHBondContact O-N 3.21Å; D151-K271 WeakPolarHBondContact OD2-CD 3.32Å; D151-K271 WeakPolarHBondContact OD2-CE 3.45Å; D151-K271 IonicContact OD2-NZ 2.69Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; D151-L274 HydrophobicContact CB-CD1 3.67Å |
| 152 | S | 96.7 | Very high | 97 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.9 | 179.4 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | N150 Y155 Y156 R177 | N150-S152 PolarHBondContact O-N 3.39Å; S152-Y155 WeakPolarHBondContact O-CB 3.37Å; S152-Y155 PolarHBondContact O-N 2.95Å; S152-Y156 VanDerWaalsContact O-CD2 3.29Å; S152-Y156 WeakPolarHBondContact O-CD2 3.4Å; S152-Y156 PolarHBondContact O-N 3.06Å; S152-Y156 VanDerWaalsContact O-N 3.14Å; S152-R177 WeakPolarHBondContact CB-O 3.39Å; S152-R177 PolarHBondContact OG-O 3.25Å |
| 153 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.4 | -55.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F141 L149 N150 D151 Y155 Y156 L157 | F141-A153 HydrophobicContact CE2-CB 4.39Å; L149-A153 HydrophobicContact CD1-CB 3.87Å; L149-A153 HydrophobicContact CD2-CB 4.03Å; L149-A153 HydrophobicContact CG-CB 3.89Å; N150-A153 WeakPolarHBondContact O-CB 3.34Å; N150-A153 PolarHBondContact O-N 3.07Å; D151-A153 PolarHBondContact O-N 3.21Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.41Å; A153-Y156 PolarHBondContact O-N 3.46Å; A153-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.33Å; A153-L157 PolarHBondContact O-N 2.86Å |
| 154 | A | 97.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 20% | 0.198 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F141 Y156 N158 | F141-A154 HydrophobicContact CE1-CB 4.29Å; F141-A154 HydrophobicContact CE2-CB 4.35Å; F141-A154 HydrophobicContact CZ-CB 3.69Å; A154-Y156 PolarHBondContact O-N 2.91Å; A154-N158 WeakPolarHBondContact O-CB 3.46Å; A154-N158 PolarHBondContact O-N 3.48Å; A154-N158 PolarHBondContact O-ND2 3.49Å; A154-N158 VanDerWaalsContact O-ND2 3.14Å |
| 155 | Y | 98.2 | Very high | 97.1 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -49.7 | 178.7 | 174 | -99.5 | 0 | 0 | 0 | 111.8 | S152 A153 Q173 D174 R177 | S152-Y155 WeakPolarHBondContact O-CB 3.37Å; S152-Y155 PolarHBondContact O-N 2.95Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.41Å; Y155-Q173 HydrophobicContact CE2-CG 4.23Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.33Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.32Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.44Å; Y155-D174 PolarHBondContact OH-OD1 2.76Å; Y155-D174 VanDerWaalsContact OH-OD1 3.05Å; Y155-R177 HydrophobicContact CD1-CB 3.92Å; Y155-R177 HydrophobicContact CD1-CG 3.81Å; Y155-R177 HydrophobicContact CE1-CB 4.02Å; Y155-R177 HydrophobicContact CE1-CG 3.86Å; Y155-R177 HydrophobicContact CG-CG 4.17Å |
| 156 | Y | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.9 | -41.5 | -179.8 | -63.3 | -53.1 | 0 | 0 | 0 | 113.2 | V73 N76 T77 S152 A153 A154 N158 D159 L160 I163 D174 R177 T178 | V73-Y156 HydrophobicContact CB-CE1 4.44Å; V73-Y156 HydrophobicContact CG1-CD1 3.84Å; V73-Y156 HydrophobicContact CG1-CE1 3.66Å; V73-Y156 HydrophobicContact CG2-CE1 4.18Å; N76-Y156 HydrophobicContact CB-CD2 4.4Å; N76-Y156 HydrophobicContact CB-CE2 4.07Å; T77-Y156 WeakPolarHBondContact OG1-CB 3.23Å; S152-Y156 VanDerWaalsContact O-CD2 3.29Å; S152-Y156 WeakPolarHBondContact O-CD2 3.4Å; S152-Y156 PolarHBondContact O-N 3.06Å; S152-Y156 VanDerWaalsContact O-N 3.14Å; A153-Y156 PolarHBondContact O-N 3.46Å; A154-Y156 PolarHBondContact O-N 2.91Å; Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.48Å; Y156-D159 CarbonylContact O-C 3.5Å; Y156-D159 PolarHBondContact O-N 3.42Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; Y156-L160 PolarHBondContact O-N 2.77Å; Y156-I163 HydrophobicContact CD1-CD1 3.64Å; Y156-I163 HydrophobicContact CG-CD1 4.23Å; Y156-I163 WeakPolarHBondContact O-CD1 3.47Å; Y156-D174 HydrophobicContact CE1-CB 4.29Å; Y156-D174 PolarHBondContact OH-O 2.78Å; Y156-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 HydrophobicContact CE2-CB 4.45Å; Y156-R177 WeakPolarHBondContact OH-CB 3.39Å; Y156-R177 PolarHBondContact OH-O 3.33Å; Y156-T178 WeakPolarHBondContact OH-CA 3.39Å; Y156-T178 WeakPolarHBondContact OH-CG2 3.4Å; Y156-T178 PolarHBondContact OH-N 3.36Å |
| 157 | L | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.3 | -32.2 | -177 | -66.5 | 169.3 | 0 | 0 | 0 | 112.2 | T77 I81 I84 I128 W132 A153 D159 | T77-L157 HydrophobicContact CG2-CD2 3.89Å; I81-L157 HydrophobicContact CB-CD2 4.01Å; I84-L157 HydrophobicContact CD1-CD1 4Å; I128-L157 HydrophobicContact CG2-CD2 3.67Å; W132-L157 VanDerWaalsContact CD1-O 3.28Å; W132-L157 HydrophobicContact CD2-CB 3.66Å; W132-L157 HydrophobicContact CD2-CD1 3.93Å; W132-L157 HydrophobicContact CD2-CG 4.32Å; W132-L157 VanDerWaalsContact CE2-CB 3.5Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CG-CB 3.85Å; W132-L157 HydrophobicContact CH2-CD1 4.13Å; W132-L157 HydrophobicContact CZ2-CB 4.02Å; W132-L157 HydrophobicContact CZ2-CD1 4.35Å; W132-L157 HydrophobicContact CZ3-CD1 3.8Å; A153-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.33Å; A153-L157 PolarHBondContact O-N 2.86Å; L157-D159 VanDerWaalsContact C-N 3.31Å |
| 158 | N | 98.3 | Very high | 97 | Very high | 116 Ų | 116 | 46.4 Ų | 46.4 | 62% | 0.62 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -72.6 | -23.4 | 174.7 | -69.6 | -19.5 | 0 | 0 | 0 | 113.3 | W132 A154 Y156 | W132-N158 PolarHBondContact NE1-OD1 3.46Å; A154-N158 WeakPolarHBondContact O-CB 3.46Å; A154-N158 PolarHBondContact O-N 3.48Å; A154-N158 PolarHBondContact O-ND2 3.49Å; A154-N158 VanDerWaalsContact O-ND2 3.14Å; Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.48Å |
| 159 | D | 97.8 | Very high | 97 | Very high | 56 Ų | 56 | 45.4 Ų | 45.4 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 24.4 | -176.6 | -152.7 | 2.7 | 0 | 0 | 0 | 112.1 | Y156 L157 E161 R162 I163 | Y156-D159 CarbonylContact O-C 3.5Å; Y156-D159 PolarHBondContact O-N 3.42Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; L157-D159 VanDerWaalsContact C-N 3.31Å; D159-E161 PolarHBondContact O-N 3.5Å; D159-R162 VanDerWaalsContact CG-NE 3.31Å; D159-R162 PolarHBondContact O-N 3.49Å; D159-R162 VanDerWaalsContact O-N 3.1Å; D159-R162 WeakPolarHBondContact OD1-CB 3.42Å; D159-R162 IonicContact OD1-NE 3.78Å; D159-R162 IonicContact OD2-CZ 3.85Å; D159-R162 IonicContact OD2-NE 2.88Å; D159-R162 PolarHBondContact OD2-NE 2.89Å; D159-R162 IonicContact OD2-NH2 3.46Å; D159-R162 PolarHBondContact OD2-NH2 2.87Å; D159-I163 HydrophobicContact CB-CD1 4.35Å; D159-I163 WeakPolarHBondContact O-CG1 3.42Å; D159-I163 PolarHBondContact O-N 2.85Å; D159-I163 VanDerWaalsContact O-N 3.15Å |
| 160 | L | 97.8 | Very high | 97 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.5 | -30.9 | -174.8 | -171 | 68.3 | 0 | 0 | 0 | 112.5 | T77 L120 I128 R129 Y156 R162 I163 A164 | T77-L160 HydrophobicContact CG2-CD1 3.9Å; L120-L160 HydrophobicContact CD2-CD1 3.94Å; I128-L160 HydrophobicContact CB-CD2 3.9Å; I128-L160 HydrophobicContact CG2-CD1 4.31Å; I128-L160 HydrophobicContact CG2-CD2 3.6Å; R129-L160 HydrophobicContact CB-CD2 3.93Å; Y156-L160 PolarHBondContact O-N 2.77Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.43Å; L160-I163 PolarHBondContact O-N 2.76Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.41Å |
| 161 | E | 96.1 | Very high | 97.2 | Very high | 98 Ų | 98 | 45.5 Ų | 45.5 | 46% | 0.458 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 176.1 | -179.1 | 60.7 | -152.5 | 0 | 0 | 111.8 | R129 D159 Q165 | R129-E161 IonicContact CZ-OE2 3.28Å; R129-E161 IonicContact NH1-OE2 3.05Å; R129-E161 PolarHBondContact NH1-OE2 3.12Å; R129-E161 IonicContact NH2-OE2 3.03Å; R129-E161 PolarHBondContact NH2-OE2 3.02Å; D159-E161 PolarHBondContact O-N 3.5Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-NE2 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 3.1Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.14Å |
| 162 | R | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 26% | 0.26 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.1 | -43.3 | 177.7 | 179.9 | -179.7 | 61.3 | 86 | 2.4 | 111.3 | D159 L160 Q165 Y168 D174 | D159-R162 VanDerWaalsContact CG-NE 3.31Å; D159-R162 PolarHBondContact O-N 3.49Å; D159-R162 VanDerWaalsContact O-N 3.1Å; D159-R162 WeakPolarHBondContact OD1-CB 3.42Å; D159-R162 IonicContact OD1-NE 3.78Å; D159-R162 IonicContact OD2-CZ 3.85Å; D159-R162 IonicContact OD2-NE 2.88Å; D159-R162 PolarHBondContact OD2-NE 2.89Å; D159-R162 IonicContact OD2-NH2 3.46Å; D159-R162 PolarHBondContact OD2-NH2 2.87Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.43Å; R162-Q165 PolarHBondContact O-N 3.38Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.26Å; R162-D174 IonicContact CZ-OD1 3.6Å; R162-D174 IonicContact CZ-OD2 3.51Å; R162-D174 IonicContact NH1-OD1 2.7Å; R162-D174 IonicContact NH1-OD2 3.5Å; R162-D174 PolarHBondContact NH1-OD2 3.28Å; R162-D174 IonicContact NH2-OD1 2.71Å; R162-D174 PolarHBondContact NH2-OD1 2.96Å; R162-D174 IonicContact NH2-OD2 3.39Å |
| 163 | I | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69 | -35.2 | -175 | -66.9 | 166.1 | 0 | 0 | 0 | 111.3 | V73 Y74 L120 Y156 D159 L160 Q165 Y168 | V73-I163 HydrophobicContact CG1-CD1 4.42Å; V73-I163 HydrophobicContact CG1-CG2 3.99Å; Y74-I163 HydrophobicContact CD1-CG2 3.77Å; Y74-I163 HydrophobicContact CE1-CG2 3.55Å; Y74-I163 WeakPolarHBondContact CE1-O 3.43Å; Y74-I163 PolarHBondContact OH-O 2.9Å; L120-I163 HydrophobicContact CD2-CG2 4.17Å; Y156-I163 HydrophobicContact CD1-CD1 3.64Å; Y156-I163 HydrophobicContact CG-CD1 4.23Å; Y156-I163 WeakPolarHBondContact O-CD1 3.47Å; D159-I163 HydrophobicContact CB-CD1 4.35Å; D159-I163 WeakPolarHBondContact O-CG1 3.42Å; D159-I163 PolarHBondContact O-N 2.85Å; D159-I163 VanDerWaalsContact O-N 3.15Å; L160-I163 PolarHBondContact O-N 2.76Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.07Å; I163-Y168 HydrophobicContact CB-CE1 4.4Å; I163-Y168 HydrophobicContact CG1-CE1 4.39Å; I163-Y168 HydrophobicContact CG1-CE2 4.43Å; I163-Y168 HydrophobicContact CG2-CD1 4.34Å; I163-Y168 HydrophobicContact CG2-CE1 4.03Å; I163-Y168 VanDerWaalsContact O-CD1 3.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.26Å |
| 164 | A | 96.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L120 L160 | L120-A164 HydrophobicContact CD2-CB 4.12Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.41Å |
| 165 | Q | 96.6 | Very high | 97.4 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -62.8 | 141.6 | 178.2 | -60.5 | -58.2 | -48.1 | 0 | 0 | 111.5 | R70 E161 R162 I163 D167 Y168 | R70-Q165 PolarHBondContact NH2-O 3.48Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-NE2 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 3.1Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.14Å; R162-Q165 PolarHBondContact O-N 3.38Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.07Å; Q165-D167 VanDerWaalsContact C-N 3.25Å; Q165-D167 WeakPolarHBondContact CB-OD1 3.19Å; Q165-D167 PolarHBondContact O-N 3Å; Q165-Y168 WeakPolarHBondContact O-CB 3.32Å; Q165-Y168 PolarHBondContact O-N 3.3Å |
| 166 | S | 93 | Very high | 97.4 | Very high | 104 Ų | 104 | 44 Ų | 44 | 73% | 0.727 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.8 | -178.6 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | R70 | R70-S166 PolarHBondContact NH1-O 3.37Å; R70-S166 PolarHBondContact NH2-O 2.76Å |
| 167 | D | 94.9 | Very high | 97.3 | Very high | 120 Ų | 120 | 46 Ų | 46 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 10.9 | 177.6 | 65.8 | -27.3 | 0 | 0 | 0 | 113.2 | Q165 I169 | Q165-D167 VanDerWaalsContact C-N 3.25Å; Q165-D167 WeakPolarHBondContact CB-OD1 3.19Å; Q165-D167 PolarHBondContact O-N 3Å; D167-I169 PolarHBondContact O-N 3.06Å |
| 168 | Y | 97.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | trans | -54.6 | 126.8 | 177.7 | 170.9 | -122.1 | 0 | 0 | 0 | 112 | R70 V73 Y74 R162 I163 Q165 P170 D174 | R70-Y168 WeakPolarHBondContact CD-O 3.37Å; R70-Y168 HydrophobicContact CG-CD1 4.15Å; R70-Y168 HydrophobicContact CG-CE1 4.44Å; R70-Y168 PolarHBondContact NE-O 3.23Å; R70-Y168 PolarHBondContact NH1-O 3.02Å; V73-Y168 HydrophobicContact CB-CE1 4.48Å; V73-Y168 HydrophobicContact CG1-CE1 4.1Å; Y74-Y168 AromaticContact CE1-CD1 3.68Å; Y74-Y168 HydrophobicContact CE1-CD1 3.68Å; Y74-Y168 AromaticContact CE1-CE1 3.98Å; Y74-Y168 HydrophobicContact CE1-CE1 3.98Å; Y74-Y168 AromaticContact CZ-CD1 3.88Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.26Å; I163-Y168 HydrophobicContact CB-CE1 4.4Å; I163-Y168 HydrophobicContact CG1-CE1 4.39Å; I163-Y168 HydrophobicContact CG1-CE2 4.43Å; I163-Y168 HydrophobicContact CG2-CD1 4.34Å; I163-Y168 HydrophobicContact CG2-CE1 4.03Å; I163-Y168 VanDerWaalsContact O-CD1 3.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.26Å; Q165-Y168 WeakPolarHBondContact O-CB 3.32Å; Q165-Y168 PolarHBondContact O-N 3.3Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; Y168-P170 WeakPolarHBondContact OH-CA 3.48Å; Y168-D174 PolarHBondContact OH-OD2 3.04Å | ||
| 169 | I | 97.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 28% | 0.277 | 22% | 0.218 | S | C | . | . | trans | -119.9 | 125.7 | 169.1 | -58.2 | 166.8 | 0 | 0 | 0 | 107.4 | E63 C66 D167 T171 | E63-I169 HydrophobicContact CG-CD1 3.9Å; E63-I169 HydrophobicContact CG-CG2 3.94Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å; C66-I169 HydrophobicContact CB-CG2 4.15Å; D167-I169 PolarHBondContact O-N 3.06Å; I169-T171 PolarHBondContact O-N 3.08Å | ||
| 170 | P | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | trans | -53.9 | 137.7 | 175.2 | -29 | 36.7 | 0 | 0 | 0 | 112.9 | C66 R70 V73 Y168 D174 V175 | C66-P170 WeakPolarHBondContact CB-O 3.4Å; C66-P170 WeakPolarHBondContact O-CD 3.05Å; C66-P170 WeakPolarHBondContact O-CG 3.06Å; C66-P170 PolarHBondContact SG-O 3.09Å; R70-P170 HydrophobicContact CB-CG 3.98Å; V73-P170 HydrophobicContact CG2-CB 4.43Å; V73-P170 HydrophobicContact CG2-CG 4.25Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; Y168-P170 WeakPolarHBondContact OH-CA 3.48Å; P170-D174 HydrophobicContact CB-CB 3.95Å; P170-V175 HydrophobicContact CB-CG2 4.36Å | ||
| 171 | T | 98 | Very high | 96.9 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | trans | -78 | 164.1 | 167 | 64.4 | 0 | 0 | 0 | 0 | 109.6 | I169 Q173 D174 V175 | I169-T171 PolarHBondContact O-N 3.08Å; T171-Q173 PolarHBondContact O-N 3.1Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 2.76Å; T171-D174 PolarHBondContact N-OD2 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.36Å; T171-D174 VanDerWaalsContact OG1-CG 3.25Å; T171-D174 PolarHBondContact OG1-N 3.45Å; T171-D174 VanDerWaalsContact OG1-N 3.09Å; T171-D174 PolarHBondContact OG1-OD2 3.07Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 2.66Å | ||
| 172 | Q | 97.5 | Very high | 96.9 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58 | -29.3 | 170.7 | -61.4 | -169.2 | 23.9 | 0 | 0 | 111.9 | I55 Y61 V175 L176 | I55-Q172 HydrophobicContact CD1-CB 4.19Å; Y61-Q172 HydrophobicContact CD2-CG 4.43Å; Q172-V175 WeakPolarHBondContact O-CB 3.4Å; Q172-V175 PolarHBondContact O-N 2.81Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.38Å; Q172-L176 PolarHBondContact O-N 3.17Å |
| 173 | Q | 97.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 29% | 0.29 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 175.1 | -168.1 | 63.1 | 9.2 | 0 | 0 | 112.4 | Y155 T171 V175 L176 R177 T328 | Y155-Q173 HydrophobicContact CE2-CG 4.23Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.33Å; T171-Q173 PolarHBondContact O-N 3.1Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 2.76Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-L176 PolarHBondContact O-N 3.44Å; Q173-R177 VanDerWaalsContact O-CG 3.25Å; Q173-R177 WeakPolarHBondContact O-CG 3.33Å; Q173-R177 PolarHBondContact O-N 2.95Å; Q173-R177 VanDerWaalsContact O-N 3.08Å; Q173-T328 PolarHBondContact NE2-O 2.72Å; Q173-T328 PolarHBondContact OE1-O 3.44Å |
| 174 | D | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 171.2 | -60.2 | -50.2 | 0 | 0 | 0 | 109.7 | V73 Y155 Y156 R162 Y168 P170 T171 L176 R177 T178 | V73-D174 HydrophobicContact CG2-CB 4.13Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.32Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.44Å; Y155-D174 PolarHBondContact OH-OD1 2.76Å; Y155-D174 VanDerWaalsContact OH-OD1 3.05Å; Y156-D174 HydrophobicContact CE1-CB 4.29Å; Y156-D174 PolarHBondContact OH-O 2.78Å; R162-D174 IonicContact CZ-OD1 3.6Å; R162-D174 IonicContact CZ-OD2 3.51Å; R162-D174 IonicContact NH1-OD1 2.7Å; R162-D174 IonicContact NH1-OD2 3.5Å; R162-D174 PolarHBondContact NH1-OD2 3.28Å; R162-D174 IonicContact NH2-OD1 2.71Å; R162-D174 PolarHBondContact NH2-OD1 2.96Å; R162-D174 IonicContact NH2-OD2 3.39Å; Y168-D174 PolarHBondContact OH-OD2 3.04Å; P170-D174 HydrophobicContact CB-CB 3.95Å; T171-D174 PolarHBondContact N-OD2 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.36Å; T171-D174 VanDerWaalsContact OG1-CG 3.25Å; T171-D174 PolarHBondContact OG1-N 3.45Å; T171-D174 VanDerWaalsContact OG1-N 3.09Å; T171-D174 PolarHBondContact OG1-OD2 3.07Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.12Å; D174-R177 CarbonylContact O-C 3.59Å; D174-R177 PolarHBondContact O-N 2.91Å; D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3.29Å |
| 175 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.7 | -44.3 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | K51 Y61 Y69 P170 T171 Q172 Q173 R177 T178 | K51-V175 HydrophobicContact CD-CG1 4.47Å; K51-V175 PolarHBondContact NZ-O 3.17Å; Y61-V175 HydrophobicContact CD1-CG1 4.22Å; Y61-V175 HydrophobicContact CD2-CG1 4.18Å; Y61-V175 HydrophobicContact CE1-CG1 4.01Å; Y61-V175 HydrophobicContact CE2-CG1 3.99Å; Y61-V175 HydrophobicContact CG-CG1 4.32Å; Y69-V175 HydrophobicContact CD1-CG1 4.18Å; Y69-V175 HydrophobicContact CD2-CB 4.35Å; Y69-V175 HydrophobicContact CD2-CG1 3.79Å; Y69-V175 HydrophobicContact CD2-CG2 3.69Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.65Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.4Å; Y69-V175 HydrophobicContact CG-CG1 4.06Å; Y69-V175 HydrophobicContact CG-CG2 3.84Å; P170-V175 HydrophobicContact CB-CG2 4.36Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 2.66Å; Q172-V175 WeakPolarHBondContact O-CB 3.4Å; Q172-V175 PolarHBondContact O-N 2.81Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; V175-T178 PolarHBondContact O-N 3.2Å; V175-T178 PolarHBondContact O-OG1 3.31Å |
| 176 | L | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 176.5 | -75.4 | 172.8 | 0 | 0 | 0 | 113.1 | T48 K51 Q52 I55 Q172 Q173 D174 T328 | T48-L176 HydrophobicContact CG2-CB 4.49Å; T48-L176 HydrophobicContact CG2-CD2 3.96Å; K51-L176 HydrophobicContact CB-CD2 3.82Å; Q52-L176 HydrophobicContact CG-CD2 3.74Å; I55-L176 HydrophobicContact CD1-CD1 3.78Å; I55-L176 HydrophobicContact CD1-CD2 3.83Å; I55-L176 HydrophobicContact CD1-CG 3.78Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.38Å; Q172-L176 PolarHBondContact O-N 3.17Å; Q173-L176 PolarHBondContact O-N 3.44Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.12Å; L176-T328 HydrophobicContact CB-CG2 4.47Å |
| 177 | R | 97.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -83.5 | -12.6 | -179.7 | -68.1 | -76.7 | -178.2 | -173.5 | 0.3 | 113.2 | S152 Y155 Y156 Q173 D174 V175 D273 T328 | S152-R177 WeakPolarHBondContact CB-O 3.39Å; S152-R177 PolarHBondContact OG-O 3.25Å; Y155-R177 HydrophobicContact CD1-CB 3.92Å; Y155-R177 HydrophobicContact CD1-CG 3.81Å; Y155-R177 HydrophobicContact CE1-CB 4.02Å; Y155-R177 HydrophobicContact CE1-CG 3.86Å; Y155-R177 HydrophobicContact CG-CG 4.17Å; Y156-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 HydrophobicContact CE2-CB 4.45Å; Y156-R177 WeakPolarHBondContact OH-CB 3.39Å; Y156-R177 PolarHBondContact OH-O 3.33Å; Q173-R177 VanDerWaalsContact O-CG 3.25Å; Q173-R177 WeakPolarHBondContact O-CG 3.33Å; Q173-R177 PolarHBondContact O-N 2.95Å; Q173-R177 VanDerWaalsContact O-N 3.08Å; D174-R177 CarbonylContact O-C 3.59Å; D174-R177 PolarHBondContact O-N 2.91Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; R177-D273 IonicContact NH2-OD2 4Å; R177-T328 HydrophobicContact CG-CG2 4.47Å; R177-T328 VanDerWaalsContact CZ-OG1 3.28Å; R177-T328 PolarHBondContact NH2-OG1 2.96Å |
| 178 | T | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | trans | -64.4 | 139.8 | 176.1 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | K51 Y69 V72 V73 N76 Y156 D174 V175 | K51-T178 PolarHBondContact NZ-O 3.47Å; K51-T178 VanDerWaalsContact NZ-O 3.12Å; K51-T178 PolarHBondContact NZ-OG1 2.99Å; Y69-T178 HydrophobicContact CD1-CG2 4.09Å; V72-T178 HydrophobicContact CB-CG2 4.24Å; V72-T178 HydrophobicContact CG1-CG2 3.97Å; V73-T178 HydrophobicContact CG2-CG2 3.62Å; N76-T178 WeakPolarHBondContact OD1-CA 3.44Å; Y156-T178 WeakPolarHBondContact OH-CA 3.39Å; Y156-T178 WeakPolarHBondContact OH-CG2 3.4Å; Y156-T178 PolarHBondContact OH-N 3.36Å; D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3.29Å; V175-T178 PolarHBondContact O-N 3.2Å; V175-T178 PolarHBondContact O-OG1 3.31Å | ||
| 179 | R | 95.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 18% | 0.177 | 26% | 0.263 | C | S | . | . | trans | -114.5 | 112.8 | 178.2 | 174.8 | 57 | 179.1 | 136 | -1.6 | 109.6 | E43 N76 K181 | E43-R179 VanDerWaalsContact CG-NE 3.3Å; E43-R179 IonicContact OE1-CZ 2.68Å; E43-R179 IonicContact OE1-NE 3.72Å; E43-R179 PolarHBondContact OE1-NE 3.42Å; E43-R179 IonicContact OE1-NH2 3.55Å; E43-R179 PolarHBondContact OE1-NH2 2.87Å; N76-R179 PolarHBondContact ND2-O 3.28Å; N76-R179 PolarHBondContact OD1-N 3Å; N76-R179 PolarHBondContact OD1-O 2.92Å; R179-K181 VanDerWaalsContact NH1-CA 3.34Å | ||
| 180 | V | 95.5 | Very high | 96.2 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | trans | -121.2 | 133.7 | 166.2 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | V72 T182 | V72-V180 HydrophobicContact CG1-CG2 3.64Å; V72-V180 HydrophobicContact CG2-CG2 4.47Å; V180-T182 PolarHBondContact O-N 2.63Å; V180-T182 VanDerWaalsContact O-N 3.11Å | ||
| 181 | K | 94.6 | Very high | 95.9 | Very high | 145 Ų | 145 | 51.8 Ų | 51.8 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | trans | -66.3 | 108.2 | 173.9 | -71.2 | -178.3 | -177.8 | 177 | 0 | 109 | R179 T183 | R179-K181 VanDerWaalsContact NH1-CA 3.34Å; K181-T183 PolarHBondContact O-N 2.84Å | ||
| 182 | T | 94.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | trans | -62.1 | 124.7 | 173.3 | -43.3 | 0 | 0 | 0 | 0 | 109.6 | S47 V180 V186 G203 | S47-T182 PolarHBondContact OG-OG1 3.03Å; V180-T182 PolarHBondContact O-N 2.63Å; V180-T182 VanDerWaalsContact O-N 3.11Å; T182-V186 HydrophobicContact CG2-CG2 4.32Å; T182-G203 WeakPolarHBondContact O-CA 3.4Å | ||
| 183 | T | 93.7 | Very high | 95.1 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 63% | 0.632 | 26% | 0.264 | S | S | * | . | trans | -117.8 | 139.3 | 174.4 | 61.2 | 0 | 0 | 0 | 0 | 108.6 | K181 E208 | K181-T183 PolarHBondContact O-N 2.84Å; T183-E208 WeakPolarHBondContact CA-OE2 3.24Å | ||
| 184 | G | 94 | Very high | 94.6 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 19% | 0.186 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 70.5 | -144.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G203 E208 | G184-G203 PolarHBondContact O-N 3.21Å; G184-E208 PolarHBondContact N-OE2 3.23Å |
| 185 | I | 95 | Very high | 94.3 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 36% | 0.359 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.3 | -174.9 | -60 | 157.6 | 0 | 0 | 0 | 107 | F200 V202 H214 C215 | I185-F200 HydrophobicContact CG2-CD1 3.94Å; I185-V202 HydrophobicContact CB-CG1 4.35Å; I185-V202 HydrophobicContact CG1-CG1 3.87Å; I185-V202 HydrophobicContact CG2-CG1 4.2Å; I185-H214 HydrophobicContact CD1-CB 3.96Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å; I185-C215 VanDerWaalsContact CG2-SG 3.55Å |
| 186 | V | 95.3 | Very high | 94 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.3 | 175.4 | 180 | 0 | 0 | 0 | 0 | 107.9 | T182 F200 D201 | T182-V186 HydrophobicContact CG2-CG2 4.32Å; V186-F200 WeakPolarHBondContact O-CA 3.23Å; V186-D201 PolarHBondContact N-O 3.4Å; V186-D201 PolarHBondContact O-N 3.29Å |
| 187 | E | 95.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.8 | 175.6 | -172 | 173.1 | 179 | 0 | 0 | 109.4 | H189 M199 F200 | E187-H189 IonicContact OE1-CE1 3.33Å; E187-H189 PolarHBondContact OE1-CE1 2.82Å; E187-H189 IonicContact OE1-NE2 3.93Å; E187-H189 PolarHBondContact OE1-NE2 3.45Å; E187-M199 CarbonylContact C-O 3.57Å; E187-M199 WeakPolarHBondContact CA-O 3.24Å; E187-F200 HydrophobicContact CB-CD1 4.28Å; E187-F200 HydrophobicContact CB-CE1 4.06Å; E187-F200 VanDerWaalsContact CD-CZ 3.4Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.78Å; E187-F200 HydrophobicContact CG-CE2 4.38Å; E187-F200 HydrophobicContact CG-CZ 3.84Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.47Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.47Å |
| 188 | T | 95 | Very high | 93.8 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.4 | 176.3 | -58.7 | 0 | 0 | 0 | 0 | 108.7 | V50 M199 | V50-T188 HydrophobicContact CG1-CG2 4.04Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.13Å; T188-M199 PolarHBondContact N-O 3.26Å; T188-M199 PolarHBondContact O-N 3.28Å |
| 189 | H | 95 | Very high | 93.7 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 145 | -177.9 | -57.3 | -96.8 | 0 | 0 | 0 | 109.1 | E187 F197 | E187-H189 IonicContact OE1-CE1 3.33Å; E187-H189 PolarHBondContact OE1-CE1 2.82Å; E187-H189 IonicContact OE1-NE2 3.93Å; E187-H189 PolarHBondContact OE1-NE2 3.45Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.41Å |
| 190 | F | 94.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 162.1 | 168.3 | 56.9 | -84.7 | 0 | 0 | 0 | 109.5 | M53 H57 E58 F192 F197 M199 F337 | M53-F190 HydrophobicContact CB-CD1 3.87Å; M53-F190 HydrophobicContact CB-CE1 3.77Å; M53-F190 HydrophobicContact CB-CG 4.36Å; M53-F190 HydrophobicContact CB-CZ 4.17Å; M53-F190 HydrophobicContact CG-CD1 4.25Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.47Å; M53-F190 HydrophobicContact CG-CZ 3.75Å; M53-F190 HydrophobicContact SD-CE1 4.09Å; M53-F190 HydrophobicContact SD-CE2 3.94Å; M53-F190 HydrophobicContact SD-CZ 3.55Å; M53-F190 VanDerWaalsContact SD-CZ 3.55Å; H57-F190 HydrophobicContact CB-CB 4.19Å; H57-F190 HydrophobicContact CB-CD2 4.17Å; H57-F190 HydrophobicContact CB-CG 4.49Å; H57-F190 AromaticContact CD2-CD2 3.7Å; H57-F190 AromaticContact CD2-CE2 3.86Å; E58-F190 HydrophobicContact CG-CB 4.28Å; F190-F192 HydrophobicContact CD2-CB 4.37Å; F190-F192 HydrophobicContact CE2-CB 4.46Å; F190-F197 HydrophobicContact CD1-CB 4.06Å; F190-F197 HydrophobicContact CD2-CB 3.93Å; F190-F197 HydrophobicContact CD2-CD2 4.09Å; F190-F197 HydrophobicContact CD2-CG 4.21Å; F190-F197 HydrophobicContact CE1-CB 3.71Å; F190-F197 HydrophobicContact CE1-CG 4.46Å; F190-F197 HydrophobicContact CE2-CB 3.57Å; F190-F197 HydrophobicContact CE2-CD1 4.27Å; F190-F197 AromaticContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CE2 4.41Å; F190-F197 AromaticContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CG-CB 4.16Å; F190-F197 HydrophobicContact CZ-CB 3.44Å; F190-F197 VanDerWaalsContact CZ-CB 3.44Å; F190-F197 HydrophobicContact CZ-CD1 4.14Å; F190-F197 HydrophobicContact CZ-CD2 4.28Å; F190-F197 AromaticContact CZ-CG 3.71Å; F190-F197 HydrophobicContact CZ-CG 3.71Å; F190-F197 PolarHBondContact N-O 3.06Å; F190-F197 PolarHBondContact O-N 2.83Å; F190-M199 HydrophobicContact CE1-CB 4Å; F190-M199 HydrophobicContact CE1-CE 3.84Å; F190-M199 HydrophobicContact CE1-SD 4.31Å; F190-M199 HydrophobicContact CZ-CE 3.84Å; F190-F337 AromaticContact CE2-CE1 3.74Å; F190-F337 HydrophobicContact CE2-CE1 3.74Å; F190-F337 AromaticContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CZ-CE1 4.04Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.57Å; F190-F337 HydrophobicContact CZ-CZ 3.57Å |
| 191 | T | 91.8 | Very high | 93.9 | Very high | 77 Ų | 77 | 55.2 Ų | 55.2 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.5 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 110 | L195 H196 | T191-L195 WeakPolarHBondContact CA-O 3.3Å; T191-H196 PolarHBondContact OG1-ND1 3.3Å; T191-H196 VanDerWaalsContact OG1-ND1 3.17Å |
| 192 | F | 91.1 | Very high | 94 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 18% | 0.18 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 133.6 | 178.2 | 178.1 | -123.4 | 0 | 0 | 0 | 110.3 | H57 F190 D194 L195 F197 F337 D338 T341 | H57-F192 AromaticContact CE1-CD2 3.26Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.41Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.55Å; H57-F192 AromaticContact ND1-CD2 3.64Å; F190-F192 HydrophobicContact CD2-CB 4.37Å; F190-F192 HydrophobicContact CE2-CB 4.46Å; F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.45Å; F192-L195 PolarHBondContact N-O 2.79Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.92Å; F192-F197 HydrophobicContact CB-CD2 4.13Å; F192-F197 HydrophobicContact CB-CE2 3.84Å; F192-F197 HydrophobicContact CD1-CE2 4.22Å; F192-F337 HydrophobicContact CD1-CD1 4.19Å; F192-F337 AromaticContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CE1-CD1 4.24Å; F192-F337 HydrophobicContact CE1-CE1 4.45Å; F192-D338 WeakPolarHBondContact CZ-OD1 3.48Å; F192-T341 HydrophobicContact CD1-CG2 3.85Å; F192-T341 HydrophobicContact CE1-CG2 3.81Å; F192-T341 WeakPolarHBondContact CE1-OG1 3.43Å |
| 193 | K | 88.6 | Confident | 94.1 | Very high | 81 Ų | 81 | 47.4 Ų | 47.4 | 35% | 0.352 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 46 | -177.7 | -70.2 | 178.8 | 161.3 | 174.6 | 0 | 113.4 | L195 D338 T341 D342 I345 | K193-L195 PolarHBondContact O-N 2.88Å; K193-L195 VanDerWaalsContact O-N 3.07Å; K193-D338 WeakPolarHBondContact CE-OD1 3.18Å; K193-D338 IonicContact NZ-OD1 3.53Å; K193-D338 PolarHBondContact NZ-OD1 2.93Å; K193-D338 IonicContact NZ-OD2 2.87Å; K193-T341 HydrophobicContact CD-CG2 3.92Å; K193-D342 IonicContact NZ-OD1 3.93Å; K193-D342 PolarHBondContact NZ-OD1 2.85Å; K193-D342 IonicContact NZ-OD2 3.5Å; K193-I345 HydrophobicContact CD-CD1 4.32Å |
| 194 | D | 85.9 | Confident | 94.1 | Very high | 129 Ų | 129 | 42.6 Ų | 42.6 | 69% | 0.69 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 11.3 | -176.9 | -57.7 | -44.6 | 0 | 0 | 0 | 115.8 | F192 | F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.45Å |
| 195 | L | 91.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143.4 | 173.3 | -61.4 | 173.6 | 0 | 0 | 0 | 110.8 | R32 V34 T191 F192 K193 F197 T341 I345 | R32-L195 HydrophobicContact CB-CD2 4.37Å; R32-L195 WeakPolarHBondContact O-CA 3.39Å; V34-L195 HydrophobicContact CG2-CB 4.34Å; V34-L195 HydrophobicContact CG2-CD1 4.01Å; V34-L195 HydrophobicContact CG2-CD2 4.37Å; V34-L195 HydrophobicContact CG2-CG 4.49Å; T191-L195 WeakPolarHBondContact CA-O 3.3Å; F192-L195 PolarHBondContact N-O 2.79Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.92Å; K193-L195 PolarHBondContact O-N 2.88Å; K193-L195 VanDerWaalsContact O-N 3.07Å; L195-F197 HydrophobicContact CB-CD2 4.21Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.3Å; L195-F197 HydrophobicContact CD1-CE2 4.25Å; L195-F197 HydrophobicContact CD1-CZ 4.1Å; L195-T341 HydrophobicContact CD1-CG2 4.36Å; L195-I345 HydrophobicContact CD1-CD1 3.9Å; L195-I345 HydrophobicContact CD1-CG1 3.57Å |
| 196 | H | 92.7 | Very high | 94.2 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 43% | 0.426 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 107.9 | 174.6 | -61.5 | -61.1 | 0 | 0 | 0 | 109.3 | R32 E33 V34 T191 | R32-H196 PolarHBondContact O-N 3.27Å; E33-H196 WeakPolarHBondContact CA-O 3.4Å; V34-H196 PolarHBondContact N-O 2.75Å; T191-H196 PolarHBondContact OG1-ND1 3.3Å; T191-H196 VanDerWaalsContact OG1-ND1 3.17Å |
| 197 | F | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132 | 179.9 | -72.9 | -92.9 | 0 | 0 | 0 | 110.7 | V34 L36 H189 F190 F192 L195 F337 T341 | V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.86Å; V34-F197 HydrophobicContact CB-CG 4.4Å; V34-F197 HydrophobicContact CB-CZ 4.49Å; V34-F197 HydrophobicContact CG1-CD1 3.71Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG2-CE1 4.37Å; V34-F197 CarbonylContact O-C 3.55Å; V34-F197 WeakPolarHBondContact O-CA 3.19Å; L36-F197 HydrophobicContact CD1-CD1 3.48Å; L36-F197 VanDerWaalsContact CD1-CD1 3.48Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 3.84Å; L36-F197 HydrophobicContact CG-CE1 4.27Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.41Å; F190-F197 HydrophobicContact CD1-CB 4.06Å; F190-F197 HydrophobicContact CD2-CB 3.93Å; F190-F197 HydrophobicContact CD2-CD2 4.09Å; F190-F197 HydrophobicContact CD2-CG 4.21Å; F190-F197 HydrophobicContact CE1-CB 3.71Å; F190-F197 HydrophobicContact CE1-CG 4.46Å; F190-F197 HydrophobicContact CE2-CB 3.57Å; F190-F197 HydrophobicContact CE2-CD1 4.27Å; F190-F197 AromaticContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CE2 4.41Å; F190-F197 AromaticContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CG-CB 4.16Å; F190-F197 HydrophobicContact CZ-CB 3.44Å; F190-F197 VanDerWaalsContact CZ-CB 3.44Å; F190-F197 HydrophobicContact CZ-CD1 4.14Å; F190-F197 HydrophobicContact CZ-CD2 4.28Å; F190-F197 AromaticContact CZ-CG 3.71Å; F190-F197 HydrophobicContact CZ-CG 3.71Å; F190-F197 PolarHBondContact N-O 3.06Å; F190-F197 PolarHBondContact O-N 2.83Å; F192-F197 HydrophobicContact CB-CD2 4.13Å; F192-F197 HydrophobicContact CB-CE2 3.84Å; F192-F197 HydrophobicContact CD1-CE2 4.22Å; L195-F197 HydrophobicContact CB-CD2 4.21Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.3Å; L195-F197 HydrophobicContact CD1-CE2 4.25Å; L195-F197 HydrophobicContact CD1-CZ 4.1Å; F197-F337 HydrophobicContact CD1-CZ 4.2Å; F197-F337 HydrophobicContact CE1-CE1 4.43Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.39Å; F197-T341 HydrophobicContact CZ-CG2 3.93Å |
| 198 | K | 95.8 | Very high | 94.2 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 102.3 | 164.5 | -63.6 | -175.1 | 174.3 | 161.9 | 0 | 108.3 | E33 V34 K35 L36 F200 | E33-K198 HydrophobicContact CG-CD 4.25Å; E33-K198 HydrophobicContact CG-CG 4.41Å; E33-K198 WeakPolarHBondContact OE1-CE 3.4Å; E33-K198 IonicContact OE1-NZ 2.73Å; E33-K198 PolarHBondContact OE1-NZ 3.04Å; E33-K198 WeakPolarHBondContact OE2-CE 3.25Å; E33-K198 IonicContact OE2-NZ 2.96Å; E33-K198 PolarHBondContact OE2-NZ 2.97Å; V34-K198 PolarHBondContact O-N 3.09Å; K35-K198 WeakPolarHBondContact CA-O 3.32Å; L36-K198 PolarHBondContact N-O 3.39Å; K198-F200 HydrophobicContact CB-CE2 3.74Å; K198-F200 HydrophobicContact CB-CZ 4.42Å; K198-F200 WeakPolarHBondContact O-CD2 3.28Å |
| 199 | M | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123 | -178.5 | -175.9 | 173.8 | -75.3 | 0 | 0 | 110.4 | L36 L38 V50 M53 E187 T188 F190 F337 | L36-M199 HydrophobicContact CB-CB 4.46Å; L36-M199 HydrophobicContact CB-CE 4.5Å; L36-M199 HydrophobicContact CB-CG 4.44Å; L36-M199 HydrophobicContact CD1-CE 3.67Å; L36-M199 CarbonylContact O-C 3.6Å; L36-M199 WeakPolarHBondContact O-CA 3.42Å; L38-M199 HydrophobicContact CD1-CG 3.72Å; L38-M199 HydrophobicContact CD1-SD 3.6Å; L38-M199 VanDerWaalsContact CD1-SD 3.6Å; L38-M199 HydrophobicContact CG-CG 4.09Å; L38-M199 HydrophobicContact CG-SD 4.27Å; V50-M199 HydrophobicContact CG2-CG 4.38Å; V50-M199 HydrophobicContact CG2-SD 3.91Å; M53-M199 HydrophobicContact CG-CE 3.61Å; M53-M199 HydrophobicContact CG-SD 3.76Å; M53-M199 HydrophobicContact SD-CE 3.98Å; E187-M199 CarbonylContact C-O 3.57Å; E187-M199 WeakPolarHBondContact CA-O 3.24Å; T188-M199 PolarHBondContact N-O 3.26Å; T188-M199 PolarHBondContact O-N 3.28Å; F190-M199 HydrophobicContact CE1-CB 4Å; F190-M199 HydrophobicContact CE1-CE 3.84Å; F190-M199 HydrophobicContact CE1-SD 4.31Å; F190-M199 HydrophobicContact CZ-CE 3.84Å; M199-F337 HydrophobicContact CE-CE2 3.9Å; M199-F337 HydrophobicContact CE-CZ 4.37Å |
| 200 | F | 97.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.3 | 180 | -67.5 | -94.8 | 0 | 0 | 0 | 109.8 | K35 L36 L37 L38 I185 V186 E187 K198 | K35-F200 HydrophobicContact CD-CD2 4.28Å; K35-F200 HydrophobicContact CD-CE2 3.83Å; K35-F200 HydrophobicContact CG-CD2 3.88Å; K35-F200 HydrophobicContact CG-CE2 3.69Å; L36-F200 PolarHBondContact O-N 3.16Å; L37-F200 HydrophobicContact CD1-CB 3.81Å; L38-F200 PolarHBondContact N-O 3.28Å; I185-F200 HydrophobicContact CG2-CD1 3.94Å; V186-F200 WeakPolarHBondContact O-CA 3.23Å; E187-F200 HydrophobicContact CB-CD1 4.28Å; E187-F200 HydrophobicContact CB-CE1 4.06Å; E187-F200 VanDerWaalsContact CD-CZ 3.4Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.78Å; E187-F200 HydrophobicContact CG-CE2 4.38Å; E187-F200 HydrophobicContact CG-CZ 3.84Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.47Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.47Å; K198-F200 HydrophobicContact CB-CE2 3.74Å; K198-F200 HydrophobicContact CB-CZ 4.42Å; K198-F200 WeakPolarHBondContact O-CD2 3.28Å |
| 201 | D | 97.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131 | 170 | -178.3 | 33.3 | 0 | 0 | 0 | 110.4 | L38 K46 S47 V50 V186 | L38-D201 HydrophobicContact CD1-CB 4.2Å; K46-D201 VanDerWaalsContact CB-OD1 3.23Å; K46-D201 WeakPolarHBondContact CB-OD1 3.49Å; S47-D201 WeakPolarHBondContact CA-OD2 3.34Å; S47-D201 VanDerWaalsContact CB-OD2 3.29Å; S47-D201 WeakPolarHBondContact CB-OD2 3.43Å; S47-D201 PolarHBondContact OG-OD2 3.17Å; V50-D201 HydrophobicContact CG2-CB 3.63Å; V186-D201 PolarHBondContact N-O 3.4Å; V186-D201 PolarHBondContact O-N 3.29Å |
| 202 | V | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.5 | -175.7 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | L37 L38 L39 K46 I185 G204 W212 | L37-V202 HydrophobicContact CD1-CG1 4.41Å; L38-V202 WeakPolarHBondContact O-CG2 3.45Å; L39-V202 HydrophobicContact CD2-CG2 3.68Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; I185-V202 HydrophobicContact CB-CG1 4.35Å; I185-V202 HydrophobicContact CG1-CG1 3.87Å; I185-V202 HydrophobicContact CG2-CG1 4.2Å; V202-G204 PolarHBondContact O-N 3.21Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.22Å; V202-W212 HydrophobicContact CG2-CG 4.07Å; V202-W212 HydrophobicContact CG2-CZ2 4.34Å; V202-W212 VanDerWaalsContact CG2-NE1 3.28Å |
| 203 | G | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | -53.8 | 128.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T182 G184 E208 W212 | T182-G203 WeakPolarHBondContact O-CA 3.4Å; G184-G203 PolarHBondContact O-N 3.21Å; G203-E208 WeakPolarHBondContact O-CB 3.23Å; G203-W212 PolarHBondContact O-NE1 3.14Å | ||
| 204 | G | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -89.8 | -17.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G40 G42 V202 R209 | G40-G204 WeakPolarHBondContact O-CA 3.29Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.97Å; V202-G204 PolarHBondContact O-N 3.21Å; G204-R209 PolarHBondContact O-NE 3.3Å; G204-R209 VanDerWaalsContact O-NE 3.1Å | ||
| 205 | Q | 95.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -65.3 | 151.1 | -178.9 | -62.1 | 86.7 | -21.2 | 0 | 0 | 110.3 | S207 E208 R209 E237 | Q205-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact O-N 3.1Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 2.97Å; Q205-R209 WeakPolarHBondContact O-CG 3.41Å; Q205-R209 PolarHBondContact O-N 3.03Å; Q205-E237 WeakPolarHBondContact CA-OE1 3.47Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.29Å |
| 206 | R | 95 | Very high | 95.3 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -36.4 | -176 | -76.4 | -176.8 | 170.2 | 173.5 | -0 | 113 | E208 E237 D238 E246 | R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3Å; R206-E237 PolarHBondContact N-OE1 3.18Å; R206-D238 IonicContact CZ-OD2 2.61Å; R206-D238 IonicContact NH1-OD2 3.57Å; R206-D238 PolarHBondContact NH1-OD2 2.82Å; R206-D238 IonicContact NH2-OD2 3.96Å; R206-D238 PolarHBondContact NH2-OD2 3.05Å; R206-E246 IonicContact CZ-OE1 3.64Å; R206-E246 IonicContact CZ-OE2 3.88Å; R206-E246 IonicContact NE-OE1 3.83Å; R206-E246 PolarHBondContact NE-OE1 2.88Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 2.75Å; R206-E246 IonicContact NH2-OE2 3.04Å; R206-E246 PolarHBondContact NH2-OE2 3.37Å |
| 207 | S | 94.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 49.2 Ų | 49.2 | 62% | 0.622 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.2 | 178 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | Q205 | Q205-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact O-N 3.1Å |
| 208 | E | 96.1 | Very high | 95 | Very high | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -20.7 | -173.4 | -61 | -56.7 | 102.3 | 0 | 0 | 112.8 | T183 G184 G203 Q205 R206 K210 K211 | T183-E208 WeakPolarHBondContact CA-OE2 3.24Å; G184-E208 PolarHBondContact N-OE2 3.23Å; G203-E208 WeakPolarHBondContact O-CB 3.23Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 2.97Å; R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3Å; E208-K210 PolarHBondContact O-N 3.08Å; E208-K210 VanDerWaalsContact O-N 3.14Å; E208-K211 VanDerWaalsContact O-CB 3.3Å; E208-K211 WeakPolarHBondContact O-CB 3.19Å; E208-K211 PolarHBondContact O-N 3.42Å; E208-K211 IonicContact OE1-NZ 2.72Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; E208-K211 IonicContact OE2-NZ 2.75Å; E208-K211 PolarHBondContact OE2-NZ 2.81Å |
| 209 | R | 95.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 50 Ų | 50 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -63.7 | -25.8 | -170.6 | -53.9 | -169 | -165.2 | 154.1 | 2 | 114.8 | G204 Q205 K211 W212 E246 | G204-R209 PolarHBondContact O-NE 3.3Å; G204-R209 VanDerWaalsContact O-NE 3.1Å; Q205-R209 WeakPolarHBondContact O-CG 3.41Å; Q205-R209 PolarHBondContact O-N 3.03Å; R209-K211 PolarHBondContact O-N 3.24Å; R209-W212 HydrophobicContact CB-CD2 4.2Å; R209-W212 HydrophobicContact CB-CZ2 4.46Å; R209-W212 HydrophobicContact CG-CD2 4.49Å; R209-W212 HydrophobicContact CG-CH2 4.36Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.25Å; R209-W212 VanDerWaalsContact O-CG 3.26Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.15Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.13Å; R209-E246 PolarHBondContact NH1-OE1 3.4Å; R209-E246 IonicContact NH2-OE1 2.7Å; R209-E246 PolarHBondContact NH2-OE1 2.77Å |
| 210 | K | 94.2 | Very high | 94.7 | Very high | 184 Ų | 184 | 51.5 Ų | 51.5 | 80% | 0.8 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -61 | -26.4 | 174.2 | -68.2 | -177.8 | -179.7 | 177.5 | 0 | 112.2 | E208 W212 I213 | E208-K210 PolarHBondContact O-N 3.08Å; E208-K210 VanDerWaalsContact O-N 3.14Å; K210-W212 VanDerWaalsContact C-N 3.3Å; K210-I213 WeakPolarHBondContact O-CG2 3.28Å |
| 211 | K | 95.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 33% | 0.326 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -77.5 | -16 | -179.5 | -56.1 | 175.2 | -174.4 | 167.9 | 0 | 112.6 | E208 R209 I213 H214 | E208-K211 VanDerWaalsContact O-CB 3.3Å; E208-K211 WeakPolarHBondContact O-CB 3.19Å; E208-K211 PolarHBondContact O-N 3.42Å; E208-K211 IonicContact OE1-NZ 2.72Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; E208-K211 IonicContact OE2-NZ 2.75Å; E208-K211 PolarHBondContact OE2-NZ 2.81Å; R209-K211 PolarHBondContact O-N 3.24Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.9Å; K211-H214 WeakPolarHBondContact O-CB 3.38Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 3.39Å |
| 212 | W | 96 | Very high | 94.6 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -61.6 | -34.3 | -174.3 | -66.8 | 4.5 | 0 | 0 | 0 | 113.3 | L39 V202 G203 R209 K210 H214 C215 F216 L250 I254 | L39-W212 HydrophobicContact CB-CH2 4.4Å; L39-W212 HydrophobicContact CB-CZ3 4.27Å; L39-W212 HydrophobicContact CD1-CE3 4.49Å; L39-W212 HydrophobicContact CD1-CZ3 4.49Å; L39-W212 HydrophobicContact CD2-CD2 3.82Å; L39-W212 HydrophobicContact CD2-CE3 3.7Å; L39-W212 HydrophobicContact CD2-CG 4.3Å; L39-W212 HydrophobicContact CD2-CH2 4.31Å; L39-W212 HydrophobicContact CD2-CZ2 4.45Å; L39-W212 HydrophobicContact CD2-CZ3 3.93Å; L39-W212 HydrophobicContact CG-CZ3 4.46Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.22Å; V202-W212 HydrophobicContact CG2-CG 4.07Å; V202-W212 HydrophobicContact CG2-CZ2 4.34Å; V202-W212 VanDerWaalsContact CG2-NE1 3.28Å; G203-W212 PolarHBondContact O-NE1 3.14Å; R209-W212 HydrophobicContact CB-CD2 4.2Å; R209-W212 HydrophobicContact CB-CZ2 4.46Å; R209-W212 HydrophobicContact CG-CD2 4.49Å; R209-W212 HydrophobicContact CG-CH2 4.36Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.25Å; R209-W212 VanDerWaalsContact O-CG 3.26Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.15Å; K210-W212 VanDerWaalsContact C-N 3.3Å; W212-H214 PolarHBondContact O-N 2.74Å; W212-C215 PolarHBondContact O-N 3.36Å; W212-F216 HydrophobicContact CB-CE1 3.79Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.38Å; W212-L250 HydrophobicContact CH2-CD1 4.35Å; W212-L250 HydrophobicContact CH2-CD2 3.34Å; W212-L250 HydrophobicContact CH2-CG 4.43Å; W212-L250 HydrophobicContact CZ3-CD2 3.32Å; W212-I254 HydrophobicContact CE3-CD1 4.2Å; W212-I254 HydrophobicContact CZ3-CD1 4.08Å; W212-I254 HydrophobicContact CZ3-CG1 4.35Å |
| 213 | I | 92.8 | Very high | 94.6 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 41% | 0.41 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -55.8 | -27.4 | 179.8 | -168.6 | 60 | 0 | 0 | 0 | 112.6 | K210 K211 C215 F216 W259 | K210-I213 WeakPolarHBondContact O-CG2 3.28Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.9Å; I213-C215 PolarHBondContact O-N 3.37Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.58Å; I213-F216 HydrophobicContact CD1-CE2 4.16Å; I213-F216 HydrophobicContact CD1-CG 4.11Å; I213-F216 PolarHBondContact O-N 3.06Å; I213-W259 HydrophobicContact CD1-CZ2 4.48Å |
| 214 | H | 93.4 | Very high | 94.7 | Very high | 146 Ų | 146 | 50.1 Ų | 50.1 | 68% | 0.676 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -68.5 | -11.9 | 177.7 | -59.2 | -59.9 | 0 | 0 | 0 | 113.7 | I185 K211 W212 | I185-H214 HydrophobicContact CD1-CB 3.96Å; K211-H214 WeakPolarHBondContact O-CB 3.38Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 3.39Å; W212-H214 PolarHBondContact O-N 2.74Å |
| 215 | C | 94.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -107.2 | -2.2 | 178.7 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | K35 L37 I185 W212 I213 E217 V219 | K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.4Å; K35-C215 PolarHBondContact NZ-O 3.42Å; L37-C215 HydrophobicContact CD1-CB 3.61Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å; I185-C215 VanDerWaalsContact CG2-SG 3.55Å; W212-C215 PolarHBondContact O-N 3.36Å; I213-C215 PolarHBondContact O-N 3.37Å; C215-E217 PolarHBondContact O-N 2.71Å; C215-V219 WeakPolarHBondContact O-CG2 3.47Å |
| 216 | F | 94.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | trans | -77.2 | -18.5 | -166.8 | -78.2 | 17.3 | 0 | 0 | 0 | 114.5 | L37 L39 W212 I213 I254 W259 F260 | L37-F216 HydrophobicContact CD2-CD1 3.81Å; L37-F216 HydrophobicContact CD2-CE1 3.95Å; L39-F216 HydrophobicContact CD1-CE1 4.5Å; W212-F216 HydrophobicContact CB-CE1 3.79Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.38Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.58Å; I213-F216 HydrophobicContact CD1-CE2 4.16Å; I213-F216 HydrophobicContact CD1-CG 4.11Å; I213-F216 PolarHBondContact O-N 3.06Å; F216-I254 HydrophobicContact CZ-CD1 4.21Å; F216-W259 HydrophobicContact CB-CB 4.47Å; F216-W259 HydrophobicContact CB-CD2 4.33Å; F216-W259 HydrophobicContact CB-CE3 4.34Å; F216-W259 HydrophobicContact CB-CG 4.4Å; F216-W259 HydrophobicContact CD2-CB 3.94Å; F216-W259 AromaticContact CD2-CG 3.9Å; F216-W259 HydrophobicContact CD2-CG 3.9Å; F216-F260 HydrophobicContact CB-CE1 4.13Å; F216-F260 HydrophobicContact CB-CZ 4.18Å; F216-F260 HydrophobicContact CD1-CE1 4.11Å; F216-F260 HydrophobicContact CD1-CE2 4.31Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.16Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.53Å; F216-F260 HydrophobicContact CD2-CZ 3.53Å; F216-F260 AromaticContact CE1-CE2 3.98Å; F216-F260 HydrophobicContact CE1-CE2 3.98Å; F216-F260 AromaticContact CE1-CZ 3.45Å; F216-F260 HydrophobicContact CE1-CZ 3.45Å; F216-F260 VanDerWaalsContact CE1-CZ 3.45Å; F216-F260 AromaticContact CE2-CE2 3.62Å; F216-F260 HydrophobicContact CE2-CE2 3.62Å; F216-F260 AromaticContact CE2-CZ 3.6Å; F216-F260 HydrophobicContact CE2-CZ 3.6Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.43Å; F216-F260 HydrophobicContact CG-CZ 3.43Å; F216-F260 VanDerWaalsContact CG-CZ 3.43Å; F216-F260 AromaticContact CZ-CE2 3.62Å; F216-F260 HydrophobicContact CZ-CE2 3.62Å; F216-F260 AromaticContact CZ-CZ 3.56Å; F216-F260 HydrophobicContact CZ-CZ 3.56Å | ||
| 217 | E | 92.2 | Very high | 95.2 | Very high | 155 Ų | 155 | 45.2 Ų | 45.2 | 72% | 0.724 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 137.2 | 177.7 | -173.8 | 172.9 | -165.9 | 0 | 0 | 111.7 | K35 C215 V219 | K35-E217 PolarHBondContact NZ-O 2.96Å; C215-E217 PolarHBondContact O-N 2.71Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.87Å |
| 218 | G | 90.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 41 Ų | 41 | 64% | 0.639 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 24.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K35 T220 | K35-G218 WeakPolarHBondContact CB-O 3.27Å; K35-G218 WeakPolarHBondContact CD-O 3.37Å; G218-T220 PolarHBondContact O-N 3.26Å |
| 219 | V | 94.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | trans | -74.5 | 120.1 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | K35 L37 C215 E217 A221 I222 F260 T263 | K35-V219 HydrophobicContact CD-CG2 4.41Å; L37-V219 HydrophobicContact CB-CG1 3.82Å; L37-V219 HydrophobicContact CB-CG2 4.18Å; L37-V219 HydrophobicContact CD2-CG2 4Å; C215-V219 WeakPolarHBondContact O-CG2 3.47Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.87Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; V219-I222 HydrophobicContact CG1-CG1 3.94Å; V219-F260 HydrophobicContact CG2-CE1 4.31Å; V219-T263 HydrophobicContact CB-CG2 4.23Å; V219-T263 HydrophobicContact CG1-CG2 3.76Å; V219-T263 WeakPolarHBondContact O-CG2 3.45Å; V219-T263 PolarHBondContact O-OG1 2.93Å | ||
| 220 | T | 92.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 38 Ų | 38 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -73.4 | -47.9 | 175.2 | -45.9 | 0 | 0 | 0 | 0 | 110.8 | V34 K35 G218 I344 N348 | V34-T220 HydrophobicContact CG1-CG2 4.01Å; K35-T220 PolarHBondContact N-OG1 3.17Å; K35-T220 WeakPolarHBondContact O-CB 3Å; K35-T220 PolarHBondContact O-N 3.27Å; G218-T220 PolarHBondContact O-N 3.26Å; T220-I344 HydrophobicContact CG2-CG2 3.95Å; T220-N348 WeakPolarHBondContact CG2-OD1 3.36Å |
| 221 | A | 94.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 149.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K35 L36 L37 V219 S264 I266 I344 | K35-A221 PolarHBondContact O-N 3.03Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.83Å; L37-A221 PolarHBondContact N-O 2.73Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; A221-S264 CarbonylContact C-O 3.42Å; A221-S264 VanDerWaalsContact CA-O 3.3Å; A221-S264 WeakPolarHBondContact CA-O 3.32Å; A221-I266 HydrophobicContact CB-CD1 3.77Å; A221-I344 HydrophobicContact CB-CD1 3.92Å; A221-I344 HydrophobicContact CB-CG1 3.97Å |
| 222 | I | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.5 | 173.1 | -64.2 | 170.6 | 0 | 0 | 0 | 108.5 | L37 L39 V219 F224 I254 F260 T263 S264 I265 I266 | L37-I222 HydrophobicContact CB-CG1 4.44Å; L37-I222 WeakPolarHBondContact O-CA 3.3Å; L39-I222 HydrophobicContact CB-CG2 4.33Å; L39-I222 HydrophobicContact CD1-CD1 4.37Å; L39-I222 HydrophobicContact CD1-CG2 3.97Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; V219-I222 HydrophobicContact CG1-CG1 3.94Å; I222-F224 HydrophobicContact CG2-CB 4.44Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.37Å; I222-F260 HydrophobicContact CD1-CB 4.01Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.42Å; I222-F260 VanDerWaalsContact CD1-CD2 3.42Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.39Å; I222-F260 HydrophobicContact CD1-CZ 3.67Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.91Å; I222-S264 PolarHBondContact N-O 2.87Å; I222-I265 HydrophobicContact CB-CG1 4.41Å; I222-I266 PolarHBondContact O-N 2.94Å |
| 223 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.6 | 164.4 | -64.5 | 170.3 | 0 | 0 | 0 | 106.8 | L36 L37 L38 L39 I266 F268 F337 | L36-I223 HydrophobicContact CD1-CD1 4.23Å; L37-I223 PolarHBondContact O-N 2.75Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.63Å; L38-I223 HydrophobicContact CD2-CD1 4.2Å; L38-I223 HydrophobicContact CD2-CG1 4.5Å; L38-I223 HydrophobicContact CD2-CG2 3.66Å; L39-I223 PolarHBondContact N-O 3.19Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.17Å; I223-I266 HydrophobicContact CG1-CB 4.25Å; I223-I266 HydrophobicContact CG1-CD1 4.25Å; I223-F268 HydrophobicContact CD1-CZ 4.38Å; I223-F268 HydrophobicContact CG2-CB 4.43Å; I223-F268 HydrophobicContact CG2-CD1 4.15Å; I223-F268 HydrophobicContact CG2-CD2 3.49Å; I223-F268 VanDerWaalsContact CG2-CD2 3.49Å; I223-F268 HydrophobicContact CG2-CE1 4.28Å; I223-F268 HydrophobicContact CG2-CE2 3.62Å; I223-F268 HydrophobicContact CG2-CG 3.76Å; I223-F268 HydrophobicContact CG2-CZ 4.02Å; I223-F337 HydrophobicContact CD1-CE2 4.32Å |
| 224 | F | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 112.1 | 177 | -166.1 | -83.1 | 0 | 0 | 0 | 110 | L39 I222 V226 L250 F251 I254 I266 L267 F268 | L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.29Å; L39-F224 CarbonylContact O-C 3.59Å; L39-F224 WeakPolarHBondContact O-CA 3.17Å; I222-F224 HydrophobicContact CG2-CB 4.44Å; F224-V226 HydrophobicContact CD1-CG2 3.82Å; F224-V226 HydrophobicContact CE1-CG2 3.83Å; F224-L250 HydrophobicContact CE2-CD2 3.91Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 4.11Å; F224-F251 HydrophobicContact CB-CD2 4.05Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.3Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.32Å; F224-F251 HydrophobicContact CD1-CG 4.32Å; F224-F251 AromaticContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CE1-CB 3.75Å; F224-F251 AromaticContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CG 4.27Å; F224-F251 HydrophobicContact CE2-CB 4.32Å; F224-F251 HydrophobicContact CE2-CD2 4.26Å; F224-F251 AromaticContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CE2 4.15Å; F224-F251 HydrophobicContact CZ-CB 3.76Å; F224-F251 HydrophobicContact CZ-CD2 4.23Å; F224-I254 HydrophobicContact CD2-CB 4.39Å; F224-I254 HydrophobicContact CD2-CG1 4.37Å; F224-I254 HydrophobicContact CD2-CG2 4.33Å; F224-I254 HydrophobicContact CE2-CB 4.35Å; F224-I254 HydrophobicContact CE2-CG1 4.02Å; F224-I266 PolarHBondContact N-O 3.06Å; F224-L267 HydrophobicContact CD1-CD1 4.09Å; F224-F268 PolarHBondContact O-N 3.46Å |
| 225 | C | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.7 | -179.7 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | L39 S44 K46 | L39-C225 PolarHBondContact O-N 3.27Å; S44-C225 WeakPolarHBondContact CB-O 3.45Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 3.39Å; S44-C225 VanDerWaalsContact OG-O 3.09Å; K46-C225 HydrophobicContact CG-CB 3.96Å |
| 226 | V | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133 | 174 | -180 | 0 | 0 | 0 | 0 | 108.6 | F224 L228 M244 L267 F268 L269 N270 F308 | F224-V226 HydrophobicContact CD1-CG2 3.82Å; F224-V226 HydrophobicContact CE1-CG2 3.83Å; V226-L228 PolarHBondContact O-N 3.32Å; V226-M244 HydrophobicContact CG1-CE 4.18Å; V226-M244 HydrophobicContact CG1-SD 3.87Å; V226-L267 HydrophobicContact CG2-CD1 3.65Å; V226-F268 PolarHBondContact N-O 3.16Å; V226-L269 HydrophobicContact CB-CD2 3.99Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.23Å; V226-N270 WeakPolarHBondContact O-CA 3.38Å; V226-N270 WeakPolarHBondContact O-CB 3.15Å; V226-N270 PolarHBondContact O-N 2.97Å; V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.31Å; V226-F308 HydrophobicContact CG1-CE2 3.81Å; V226-F308 HydrophobicContact CG1-CZ 3.55Å; V226-F308 HydrophobicContact CG2-CD1 4.09Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.3Å; V226-F308 HydrophobicContact CG2-CZ 3.66Å |
| 227 | A | 98.5 | Very high | 96.2 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 106.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S229 A230 M244 K271 | A227-S229 VanDerWaalsContact C-N 3.27Å; A227-S229 PolarHBondContact O-N 2.86Å; A227-A230 HydrophobicContact CB-CB 3.85Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.41Å; A227-M244 WeakPolarHBondContact O-CE 3.4Å; A227-K271 HydrophobicContact CB-CD 3.93Å |
| 228 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -57.5 | -43.8 | 175.8 | -76.9 | 176.3 | 0 | 0 | 0 | 111.4 | V226 A230 Y231 L269 N270 K272 F275 I304 F324 | V226-L228 PolarHBondContact O-N 3.32Å; L228-A230 PolarHBondContact O-N 3.12Å; L228-Y231 WeakPolarHBondContact O-CD1 3.45Å; L228-Y231 PolarHBondContact O-N 2.63Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 4.25Å; L228-L269 HydrophobicContact CG-CB 3.94Å; L228-N270 WeakPolarHBondContact CB-O 3.46Å; L228-N270 PolarHBondContact N-O 2.98Å; L228-K272 HydrophobicContact CD1-CB 4.22Å; L228-F275 HydrophobicContact CB-CB 3.65Å; L228-F275 HydrophobicContact CB-CD1 4.38Å; L228-F275 HydrophobicContact CB-CD2 4.01Å; L228-F275 HydrophobicContact CB-CG 3.75Å; L228-F275 HydrophobicContact CD1-CD1 4.35Å; L228-F275 HydrophobicContact CD1-CG 4.49Å; L228-F275 WeakPolarHBondContact O-CD2 3.38Å; L228-I304 HydrophobicContact CD2-CB 4.14Å; L228-I304 HydrophobicContact CD2-CD1 3.97Å; L228-I304 HydrophobicContact CD2-CG2 3.7Å; L228-F324 HydrophobicContact CD1-CD1 3.8Å; L228-F324 HydrophobicContact CD1-CE1 4.06Å |
| 229 | S | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -65.2 | -4.6 | -179.4 | 65.2 | 0 | 0 | 0 | 0 | 115 | A227 K271 K278 | A227-S229 VanDerWaalsContact C-N 3.27Å; A227-S229 PolarHBondContact O-N 2.86Å; S229-K271 WeakPolarHBondContact OG-CD 3.28Å; S229-K278 PolarHBondContact O-NZ 3.34Å |
| 230 | A | 97.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 7% | 0.066 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -91.5 | 4.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | A227 L228 D232 L233 R243 | A227-A230 HydrophobicContact CB-CB 3.85Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.41Å; L228-A230 PolarHBondContact O-N 3.12Å; A230-D232 PolarHBondContact O-N 3.25Å; A230-L233 HydrophobicContact CB-CD1 4.32Å; A230-L233 PolarHBondContact O-N 3.34Å; A230-L233 VanDerWaalsContact O-N 3.15Å; A230-R243 HydrophobicContact CB-CB 3.93Å |
| 231 | Y | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -28 | -177.5 | 71.3 | -85.8 | 0 | 0 | 0 | 114.1 | L228 N242 F275 K278 I279 S282 L284 C287 | L228-Y231 WeakPolarHBondContact O-CD1 3.45Å; L228-Y231 PolarHBondContact O-N 2.63Å; Y231-N242 PolarHBondContact O-ND2 3.49Å; Y231-F275 AromaticContact CD1-CD2 3.69Å; Y231-F275 HydrophobicContact CD1-CD2 3.69Å; Y231-F275 AromaticContact CD1-CE2 3.63Å; Y231-F275 HydrophobicContact CD1-CE2 3.63Å; Y231-F275 AromaticContact CE1-CD2 3.57Å; Y231-F275 HydrophobicContact CE1-CD2 3.57Å; Y231-F275 AromaticContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CG-CE2 4.47Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.5Å; Y231-I279 HydrophobicContact CE2-CD1 4.48Å; Y231-I279 WeakPolarHBondContact OH-CA 3.47Å; Y231-I279 PolarHBondContact OH-N 3.43Å; Y231-S282 WeakPolarHBondContact CE2-O 3.5Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 2.9Å; Y231-L284 HydrophobicContact CD2-CD1 3.91Å; Y231-L284 HydrophobicContact CE2-CD1 4.5Å; Y231-L284 HydrophobicContact CG-CD1 4.07Å; Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.48Å |
| 232 | D | 97.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 15.1 | 179.7 | 68.9 | -15.3 | 0 | 0 | 0 | 113.6 | A230 K278 S282 I286 | A230-D232 PolarHBondContact O-N 3.25Å; D232-K278 WeakPolarHBondContact OD1-CD 3.31Å; D232-K278 IonicContact OD1-NZ 2.82Å; D232-K278 PolarHBondContact OD1-NZ 3.1Å; D232-K278 WeakPolarHBondContact OD2-CD 3.33Å; D232-K278 IonicContact OD2-NZ 3.25Å; D232-S282 WeakPolarHBondContact CB-OG 3.43Å; D232-S282 WeakPolarHBondContact OD2-CB 3.41Å; D232-S282 PolarHBondContact OD2-OG 3.18Å; D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.25Å |
| 233 | L | 97.5 | Very high | 96.7 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | trans | -111.1 | 153.6 | -177.9 | -57.8 | -177.3 | 0 | 0 | 0 | 111.8 | R145 A230 N242 R243 | R145-L233 HydrophobicContact CB-CD2 3.87Å; A230-L233 HydrophobicContact CB-CD1 4.32Å; A230-L233 PolarHBondContact O-N 3.34Å; A230-L233 VanDerWaalsContact O-N 3.15Å; L233-N242 CarbonylContact O-C 3.46Å; L233-N242 WeakPolarHBondContact O-CA 3.34Å; L233-N242 PolarHBondContact O-ND2 2.59Å; L233-R243 HydrophobicContact CB-CB 4.45Å; L233-R243 HydrophobicContact CB-CG 3.9Å; L233-R243 PolarHBondContact O-N 3.45Å | ||
| 234 | V | 97.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 35 Ų | 35 | 30% | 0.303 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 157.6 | 167.8 | -61 | 0 | 0 | 0 | 0 | 111.2 | Q148 E239 M241 R243 | Q148-V234 PolarHBondContact NE2-O 2.85Å; V234-E239 WeakPolarHBondContact CG1-O 3.32Å; V234-M241 CarbonylContact C-O 3.6Å; V234-M241 WeakPolarHBondContact CA-O 3.34Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.43Å; V234-R243 PolarHBondContact O-NE 3.22Å |
| 235 | L | 95.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 146.8 | 177.8 | -66.4 | 173.6 | 0 | 0 | 0 | 110.6 | E237 D238 M241 R243 E246 | L235-E237 PolarHBondContact O-N 3.01Å; L235-D238 HydrophobicContact CB-CB 4.17Å; L235-D238 HydrophobicContact CD1-CB 4.24Å; L235-D238 PolarHBondContact N-O 3.48Å; L235-D238 CarbonylContact O-C 3.58Å; L235-D238 PolarHBondContact O-N 3.39Å; L235-M241 HydrophobicContact CD1-CB 3.88Å; L235-M241 HydrophobicContact CD1-CG 3.67Å; L235-M241 HydrophobicContact CG-CB 4.36Å; L235-M241 HydrophobicContact CG-CG 4.32Å; L235-M241 PolarHBondContact N-O 2.91Å; L235-R243 HydrophobicContact CD2-CB 4.41Å; L235-R243 HydrophobicContact CD2-CG 3.95Å; L235-R243 HydrophobicContact CG-CG 4.4Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.69Å; L235-E246 HydrophobicContact CD2-CB 4.11Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.28Å; L235-E246 HydrophobicContact CG-CG 4.35Å |
| 236 | A | 93.2 | Very high | 96.7 | Very high | 57 Ų | 57 | 38.8 Ų | 38.8 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -27.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q148 | Q148-A236 HydrophobicContact CG-CB 4.3Š|
| 237 | E | 93.6 | Very high | 96.7 | Very high | 89 Ų | 89 | 39 Ų | 39 | 42% | 0.416 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -9.8 | 178.3 | -54.3 | 100.1 | 129.3 | 0 | 0 | 114.1 | Q205 R206 L235 | Q205-E237 WeakPolarHBondContact CA-OE1 3.47Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.29Å; R206-E237 PolarHBondContact N-OE1 3.18Å; L235-E237 PolarHBondContact O-N 3.01Å |
| 238 | D | 94 | Very high | 96.7 | Very high | 48 Ų | 48 | 39.6 Ų | 39.6 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 99.6 | -171 | -175 | -15.8 | 0 | 0 | 0 | 110.2 | R206 L235 E240 M241 | R206-D238 IonicContact CZ-OD2 2.61Å; R206-D238 IonicContact NH1-OD2 3.57Å; R206-D238 PolarHBondContact NH1-OD2 2.82Å; R206-D238 IonicContact NH2-OD2 3.96Å; R206-D238 PolarHBondContact NH2-OD2 3.05Å; L235-D238 HydrophobicContact CB-CB 4.17Å; L235-D238 HydrophobicContact CD1-CB 4.24Å; L235-D238 PolarHBondContact N-O 3.48Å; L235-D238 CarbonylContact O-C 3.58Å; L235-D238 PolarHBondContact O-N 3.39Å; D238-E240 PolarHBondContact O-N 3.43Å; D238-E240 PolarHBondContact OD1-N 3.01Å; D238-M241 HydrophobicContact CB-CB 3.99Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.39Å; D238-M241 PolarHBondContact OD1-N 3.33Å; D238-M241 WeakPolarHBondContact OD2-CB 3.46Å |
| 239 | E | 91.3 | Very high | 96.7 | Very high | 165 Ų | 165 | 45.8 Ų | 45.8 | 77% | 0.771 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -9.4 | -172.9 | -64.4 | -177.3 | 175.8 | 0 | 0 | 113.9 | V234 | V234-E239 WeakPolarHBondContact CG1-O 3.32Å |
| 240 | E | 94 | Very high | 96.7 | Very high | 186 Ų | 186 | 46.3 Ų | 46.3 | 87% | 0.869 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -21.4 | 174.9 | -61.5 | -172.1 | 156 | 0 | 0 | 112.1 | D238 | D238-E240 PolarHBondContact O-N 3.43Å; D238-E240 PolarHBondContact OD1-N 3.01Å |
| 241 | M | 96.6 | Very high | 96.7 | Very high | 23 Ų | 23 | 46 Ų | 46 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.4 | -174.6 | -173.8 | 71.1 | -163.7 | 0 | 0 | 111.6 | V234 L235 D238 R243 H245 E246 K249 | V234-M241 CarbonylContact C-O 3.6Å; V234-M241 WeakPolarHBondContact CA-O 3.34Å; L235-M241 HydrophobicContact CD1-CB 3.88Å; L235-M241 HydrophobicContact CD1-CG 3.67Å; L235-M241 HydrophobicContact CG-CB 4.36Å; L235-M241 HydrophobicContact CG-CG 4.32Å; L235-M241 PolarHBondContact N-O 2.91Å; D238-M241 HydrophobicContact CB-CB 3.99Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.39Å; D238-M241 PolarHBondContact OD1-N 3.33Å; D238-M241 WeakPolarHBondContact OD2-CB 3.46Å; M241-R243 PolarHBondContact O-N 2.89Å; M241-H245 VanDerWaalsContact CE-C 3.41Å; M241-H245 HydrophobicContact CE-CB 3.66Å; M241-E246 HydrophobicContact CE-CB 3.76Å; M241-E246 HydrophobicContact CG-CB 4.15Å; M241-K249 HydrophobicContact CE-CD 3.77Å |
| 242 | N | 97.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 134.5 | 171.2 | 179.3 | -79.3 | 0 | 0 | 0 | 112 | Y231 L233 M244 H245 E246 | Y231-N242 PolarHBondContact O-ND2 3.49Å; L233-N242 CarbonylContact O-C 3.46Å; L233-N242 WeakPolarHBondContact O-CA 3.34Å; L233-N242 PolarHBondContact O-ND2 2.59Å; N242-M244 PolarHBondContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CA 2.96Å; N242-M244 WeakPolarHBondContact OD1-CB 3.42Å; N242-M244 PolarHBondContact OD1-N 2.92Å; N242-H245 HydrophobicContact CB-CB 4.24Å; N242-H245 PolarHBondContact O-N 3.41Å; N242-H245 PolarHBondContact OD1-N 2.92Å; N242-H245 VanDerWaalsContact OD1-N 3.15Å; N242-E246 PolarHBondContact O-N 3.5Å |
| 243 | R | 98 | Very high | 96.7 | Very high | 29 Ų | 29 | 51 Ų | 51 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -35.9 | -175.6 | -65.6 | -162.8 | 176.1 | -162.3 | -5.1 | 113.3 | E43 A230 L233 V234 L235 M241 E246 S247 | E43-R243 IonicContact OE2-CZ 2.61Å; E43-R243 IonicContact OE2-NH1 2.87Å; E43-R243 PolarHBondContact OE2-NH1 3.39Å; E43-R243 IonicContact OE2-NH2 3.06Å; E43-R243 PolarHBondContact OE2-NH2 3.12Å; A230-R243 HydrophobicContact CB-CB 3.93Å; L233-R243 HydrophobicContact CB-CB 4.45Å; L233-R243 HydrophobicContact CB-CG 3.9Å; L233-R243 PolarHBondContact O-N 3.45Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.43Å; V234-R243 PolarHBondContact O-NE 3.22Å; L235-R243 HydrophobicContact CD2-CB 4.41Å; L235-R243 HydrophobicContact CD2-CG 3.95Å; L235-R243 HydrophobicContact CG-CG 4.4Å; M241-R243 PolarHBondContact O-N 2.89Å; R243-E246 PolarHBondContact O-N 3.15Å; R243-S247 WeakPolarHBondContact O-CB 3.5Å; R243-S247 PolarHBondContact O-N 2.8Å |
| 244 | M | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 178.6 | -177.5 | 63.8 | 73.5 | 0 | 0 | 111.1 | V226 A227 N242 E246 S247 M248 F288 I304 F308 | V226-M244 HydrophobicContact CG1-CE 4.18Å; V226-M244 HydrophobicContact CG1-SD 3.87Å; A227-M244 WeakPolarHBondContact O-CE 3.4Å; N242-M244 PolarHBondContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CA 2.96Å; N242-M244 WeakPolarHBondContact OD1-CB 3.42Å; N242-M244 PolarHBondContact OD1-N 2.92Å; M244-E246 VanDerWaalsContact C-N 3.27Å; M244-E246 PolarHBondContact O-N 3.23Å; M244-S247 WeakPolarHBondContact O-CB 3.13Å; M244-S247 PolarHBondContact O-N 2.71Å; M244-S247 VanDerWaalsContact O-N 3.12Å; M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.91Å; M244-F288 HydrophobicContact CG-CE2 4.19Å; M244-F288 HydrophobicContact CG-CZ 3.92Å; M244-I304 HydrophobicContact CE-CD1 4.34Å; M244-I304 HydrophobicContact CE-CG2 4.16Å; M244-I304 HydrophobicContact SD-CG2 4.17Å; M244-F308 HydrophobicContact SD-CE2 3.52Å; M244-F308 VanDerWaalsContact SD-CE2 3.52Å; M244-F308 HydrophobicContact SD-CZ 3.78Å |
| 245 | H | 98.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 47.9 Ų | 47.9 | 32% | 0.324 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.9 | -37.6 | 172.9 | -79.1 | -57.1 | 0 | 0 | 0 | 112.3 | M241 N242 M248 K249 C287 F288 | M241-H245 VanDerWaalsContact CE-C 3.41Å; M241-H245 HydrophobicContact CE-CB 3.66Å; N242-H245 HydrophobicContact CB-CB 4.24Å; N242-H245 PolarHBondContact O-N 3.41Å; N242-H245 PolarHBondContact OD1-N 2.92Å; N242-H245 VanDerWaalsContact OD1-N 3.15Å; H245-M248 PolarHBondContact O-N 3.3Å; H245-K249 WeakPolarHBondContact O-CG 3.37Å; H245-K249 PolarHBondContact O-N 2.84Å; H245-C287 PolarHBondContact NE2-O 3.5Å; H245-F288 AromaticContact CE1-CE1 3.98Å |
| 246 | E | 98.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 173.8 | 177 | 76.8 | 172.5 | 0 | 0 | 110 | R206 R209 L235 M241 N242 R243 M244 M248 K249 L250 | R206-E246 IonicContact CZ-OE1 3.64Å; R206-E246 IonicContact CZ-OE2 3.88Å; R206-E246 IonicContact NE-OE1 3.83Å; R206-E246 PolarHBondContact NE-OE1 2.88Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 2.75Å; R206-E246 IonicContact NH2-OE2 3.04Å; R206-E246 PolarHBondContact NH2-OE2 3.37Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.13Å; R209-E246 PolarHBondContact NH1-OE1 3.4Å; R209-E246 IonicContact NH2-OE1 2.7Å; R209-E246 PolarHBondContact NH2-OE1 2.77Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.69Å; L235-E246 HydrophobicContact CD2-CB 4.11Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.28Å; L235-E246 HydrophobicContact CG-CG 4.35Å; M241-E246 HydrophobicContact CE-CB 3.76Å; M241-E246 HydrophobicContact CG-CB 4.15Å; N242-E246 PolarHBondContact O-N 3.5Å; R243-E246 PolarHBondContact O-N 3.15Å; M244-E246 VanDerWaalsContact C-N 3.27Å; M244-E246 PolarHBondContact O-N 3.23Å; E246-M248 VanDerWaalsContact C-N 3.27Å; E246-M248 PolarHBondContact O-N 3.15Å; E246-K249 PolarHBondContact O-N 3.39Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 3.43Å |
| 247 | S | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -39.6 | 178 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | R243 M244 L250 F251 | R243-S247 WeakPolarHBondContact O-CB 3.5Å; R243-S247 PolarHBondContact O-N 2.8Å; M244-S247 WeakPolarHBondContact O-CB 3.13Å; M244-S247 PolarHBondContact O-N 2.71Å; M244-S247 VanDerWaalsContact O-N 3.12Å; S247-L250 WeakPolarHBondContact O-CB 3.45Å; S247-L250 PolarHBondContact O-N 3.37Å; S247-F251 WeakPolarHBondContact O-CB 3.29Å; S247-F251 PolarHBondContact O-N 3.14Å |
| 248 | M | 98.7 | Very high | 96.8 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.113 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -48.9 | 175.4 | -73.7 | 178.7 | 67.6 | 0 | 0 | 112.4 | M244 H245 E246 L250 F251 D252 F288 K307 F308 L311 | M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.91Å; H245-M248 PolarHBondContact O-N 3.3Å; E246-M248 VanDerWaalsContact C-N 3.27Å; E246-M248 PolarHBondContact O-N 3.15Å; M248-L250 PolarHBondContact O-N 2.7Å; M248-F251 PolarHBondContact O-N 2.86Å; M248-F251 VanDerWaalsContact O-N 3.15Å; M248-D252 PolarHBondContact O-N 3.15Å; M248-F288 HydrophobicContact CE-CE1 4.48Å; M248-F288 HydrophobicContact SD-CE1 3.78Å; M248-F288 HydrophobicContact SD-CZ 3.8Å; M248-K307 HydrophobicContact CE-CB 3.84Å; M248-K307 HydrophobicContact SD-CB 4.41Å; M248-F308 HydrophobicContact CB-CE1 4.43Å; M248-F308 HydrophobicContact CB-CZ 4.36Å; M248-F308 HydrophobicContact CG-CD1 4.42Å; M248-F308 HydrophobicContact CG-CD2 4.25Å; M248-F308 HydrophobicContact CG-CE1 3.86Å; M248-F308 HydrophobicContact CG-CE2 3.67Å; M248-F308 HydrophobicContact CG-CZ 3.44Å; M248-F308 VanDerWaalsContact CG-CZ 3.44Å; M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.17Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.41Å |
| 249 | K | 98.2 | Very high | 96.7 | Very high | 129 Ų | 129 | 57.8 Ų | 57.8 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -55.9 | -40.1 | 175 | -73.4 | 176.5 | -176.6 | 174.5 | 0 | 111.6 | M241 H245 E246 S253 | M241-K249 HydrophobicContact CE-CD 3.77Å; H245-K249 WeakPolarHBondContact O-CG 3.37Å; H245-K249 PolarHBondContact O-N 2.84Å; E246-K249 PolarHBondContact O-N 3.39Å; K249-S253 PolarHBondContact O-N 2.75Å |
| 250 | L | 97.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.5 | -44 | 179.7 | -141 | 167 | 0 | 0 | 0 | 110.8 | A41 W212 F224 E246 S247 M248 S253 I254 | A41-L250 HydrophobicContact CB-CD1 4.36Å; W212-L250 HydrophobicContact CH2-CD1 4.35Å; W212-L250 HydrophobicContact CH2-CD2 3.34Å; W212-L250 HydrophobicContact CH2-CG 4.43Å; W212-L250 HydrophobicContact CZ3-CD2 3.32Å; F224-L250 HydrophobicContact CE2-CD2 3.91Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 4.11Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 3.43Å; S247-L250 WeakPolarHBondContact O-CB 3.45Å; S247-L250 PolarHBondContact O-N 3.37Å; M248-L250 PolarHBondContact O-N 2.7Å; L250-S253 PolarHBondContact O-N 3.34Å; L250-I254 HydrophobicContact CD2-CG1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.18Å; L250-I254 VanDerWaalsContact O-N 3.14Å |
| 251 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.1 | -175.1 | -108.9 | 0 | 0 | 0 | 112.1 | F224 S247 M248 S253 I254 C255 I265 L267 F308 L311 I320 | F224-F251 HydrophobicContact CB-CD2 4.05Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.3Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.32Å; F224-F251 HydrophobicContact CD1-CG 4.32Å; F224-F251 AromaticContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CE1-CB 3.75Å; F224-F251 AromaticContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CG 4.27Å; F224-F251 HydrophobicContact CE2-CB 4.32Å; F224-F251 HydrophobicContact CE2-CD2 4.26Å; F224-F251 AromaticContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CE2 4.15Å; F224-F251 HydrophobicContact CZ-CB 3.76Å; F224-F251 HydrophobicContact CZ-CD2 4.23Å; S247-F251 WeakPolarHBondContact O-CB 3.29Å; S247-F251 PolarHBondContact O-N 3.14Å; M248-F251 PolarHBondContact O-N 2.86Å; M248-F251 VanDerWaalsContact O-N 3.15Å; F251-S253 PolarHBondContact O-N 2.85Å; F251-I254 PolarHBondContact O-N 3.39Å; F251-C255 HydrophobicContact CD1-CB 4.4Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CE2-CB 4.15Å; F251-C255 HydrophobicContact CZ-CB 3.86Å; F251-C255 PolarHBondContact O-N 3.39Å; F251-C255 PolarHBondContact O-SG 3.35Å; F251-I265 HydrophobicContact CE2-CG2 4.07Å; F251-I265 HydrophobicContact CZ-CG2 4.46Å; F251-L267 HydrophobicContact CD2-CD1 4.27Å; F251-L267 HydrophobicContact CE2-CD1 4.01Å; F251-L267 HydrophobicContact CZ-CD1 4.42Å; F251-F308 HydrophobicContact CB-CD1 3.79Å; F251-F308 HydrophobicContact CB-CE1 3.82Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD2-CD1 4.47Å; F251-F308 HydrophobicContact CE1-CB 4.39Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 VanDerWaalsContact CE1-O 3.26Å; F251-F308 WeakPolarHBondContact CE1-O 3.19Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.24Å; F251-L311 HydrophobicContact CD1-CB 4.13Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; F251-L311 HydrophobicContact CE1-CB 4.49Å; F251-I320 HydrophobicContact CZ-CD1 4.25Å; F251-I320 HydrophobicContact CZ-CG1 4.43Å; F251-I320 HydrophobicContact CZ-CG2 4.06Å |
| 252 | D | 98.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.8 | -41.9 | 176.1 | 180 | 48.6 | 0 | 0 | 0 | 111.7 | M248 N256 L311 K313 | M248-D252 PolarHBondContact O-N 3.15Å; D252-N256 WeakPolarHBondContact O-CB 3.49Å; D252-N256 PolarHBondContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.43Å; D252-N256 VanDerWaalsContact O-ND2 3.07Å; D252-N256 PolarHBondContact OD1-ND2 3.38Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.36Å; D252-L311 HydrophobicContact CB-CD2 4.26Å; D252-K313 IonicContact OD1-NZ 2.78Å; D252-K313 PolarHBondContact OD1-NZ 3.21Å; D252-K313 IonicContact OD2-NZ 2.66Å; D252-K313 PolarHBondContact OD2-NZ 3.45Å |
| 253 | S | 97 | Very high | 96.1 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -35.4 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 113.3 | K249 L250 F251 N257 | K249-S253 PolarHBondContact O-N 2.75Å; L250-S253 PolarHBondContact O-N 3.34Å; F251-S253 PolarHBondContact O-N 2.85Å; S253-N257 WeakPolarHBondContact O-CB 3.33Å; S253-N257 PolarHBondContact O-N 2.89Å |
| 254 | I | 96.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -81 | -51.7 | -179.2 | -65.4 | -55.3 | 0 | 0 | 0 | 111.2 | L39 W212 F216 I222 F224 L250 F251 N256 N257 F260 | L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.06Å; L39-I254 HydrophobicContact CD1-CG2 3.81Å; W212-I254 HydrophobicContact CE3-CD1 4.2Å; W212-I254 HydrophobicContact CZ3-CD1 4.08Å; W212-I254 HydrophobicContact CZ3-CG1 4.35Å; F216-I254 HydrophobicContact CZ-CD1 4.21Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.37Å; F224-I254 HydrophobicContact CD2-CB 4.39Å; F224-I254 HydrophobicContact CD2-CG1 4.37Å; F224-I254 HydrophobicContact CD2-CG2 4.33Å; F224-I254 HydrophobicContact CE2-CB 4.35Å; F224-I254 HydrophobicContact CE2-CG1 4.02Å; L250-I254 HydrophobicContact CD2-CG1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.18Å; L250-I254 VanDerWaalsContact O-N 3.14Å; F251-I254 PolarHBondContact O-N 3.39Å; I254-N256 PolarHBondContact O-N 3.23Å; I254-N257 VanDerWaalsContact O-CB 3.31Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; I254-F260 HydrophobicContact CD1-CE2 4.21Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å |
| 255 | C | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -23.7 | -173.7 | 73 | 0 | 0 | 0 | 0 | 113 | F251 I265 R314 I320 | F251-C255 HydrophobicContact CD1-CB 4.4Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CE2-CB 4.15Å; F251-C255 HydrophobicContact CZ-CB 3.86Å; F251-C255 PolarHBondContact O-N 3.39Å; F251-C255 PolarHBondContact O-SG 3.35Å; C255-I265 HydrophobicContact CB-CD1 3.92Å; C255-R314 PolarHBondContact O-NH2 3.37Å; C255-I320 HydrophobicContact CB-CD1 4.47Å |
| 256 | N | 96.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 46 Ų | 46 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 7.9 | 175.9 | -59.3 | -56.6 | 0 | 0 | 0 | 113.7 | D252 I254 L311 K313 | D252-N256 WeakPolarHBondContact O-CB 3.49Å; D252-N256 PolarHBondContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.43Å; D252-N256 VanDerWaalsContact O-ND2 3.07Å; D252-N256 PolarHBondContact OD1-ND2 3.38Å; I254-N256 PolarHBondContact O-N 3.23Å; N256-L311 PolarHBondContact ND2-O 3.27Å; N256-K313 HydrophobicContact CB-CD 4.46Å; N256-K313 PolarHBondContact ND2-NZ 3.32Å; N256-K313 WeakPolarHBondContact OD1-CB 3.2Å; N256-K313 PolarHBondContact OD1-N 3.5Å |
| 257 | N | 94.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | trans | -67.5 | 144 | 177.6 | -156.6 | -54.3 | 0 | 0 | 0 | 111.1 | S253 I254 W259 F260 R314 | S253-N257 WeakPolarHBondContact O-CB 3.33Å; S253-N257 PolarHBondContact O-N 2.89Å; I254-N257 VanDerWaalsContact O-CB 3.31Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; N257-W259 PolarHBondContact OD1-N 2.83Å; N257-F260 HydrophobicContact CB-CD2 3.72Å; N257-F260 HydrophobicContact CB-CE2 4.39Å; N257-F260 HydrophobicContact CB-CG 4.45Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.46Å; N257-R314 PolarHBondContact O-NH2 3.15Å | ||
| 258 | K | 93.9 | Very high | 95.6 | Very high | 185 Ų | 185 | 45.4 Ų | 45.4 | 80% | 0.804 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -69.5 | -32.4 | 176.6 | -67.3 | -174.6 | 179 | -177.7 | 0 | 112.8 | F260 T261 | K258-F260 PolarHBondContact O-N 3.39Å; K258-T261 PolarHBondContact O-N 3.43Å; K258-T261 PolarHBondContact O-OG1 3.45Å |
| 259 | W | 93.3 | Very high | 95.6 | Very high | 153 Ų | 153 | 44.3 Ų | 44.3 | 58% | 0.58 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -59.5 | -26 | 173.9 | -76.7 | 99.6 | 0 | 0 | 0 | 112.6 | I213 F216 N257 | I213-W259 HydrophobicContact CD1-CZ2 4.48Å; F216-W259 HydrophobicContact CB-CB 4.47Å; F216-W259 HydrophobicContact CB-CD2 4.33Å; F216-W259 HydrophobicContact CB-CE3 4.34Å; F216-W259 HydrophobicContact CB-CG 4.4Å; F216-W259 HydrophobicContact CD2-CB 3.94Å; F216-W259 AromaticContact CD2-CG 3.9Å; F216-W259 HydrophobicContact CD2-CG 3.9Å; N257-W259 PolarHBondContact OD1-N 2.83Å |
| 260 | F | 93.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -117.1 | 43.4 | -175.8 | -51.2 | -45.8 | 0 | 0 | 0 | 110.4 | L37 L39 F216 V219 I222 I254 N257 K258 T263 K318 | L37-F260 HydrophobicContact CD2-CE1 4.47Å; L37-F260 HydrophobicContact CD2-CZ 4.08Å; L39-F260 HydrophobicContact CD1-CE2 4.38Å; F216-F260 HydrophobicContact CB-CE1 4.13Å; F216-F260 HydrophobicContact CB-CZ 4.18Å; F216-F260 HydrophobicContact CD1-CE1 4.11Å; F216-F260 HydrophobicContact CD1-CE2 4.31Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.16Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.53Å; F216-F260 HydrophobicContact CD2-CZ 3.53Å; F216-F260 AromaticContact CE1-CE2 3.98Å; F216-F260 HydrophobicContact CE1-CE2 3.98Å; F216-F260 AromaticContact CE1-CZ 3.45Å; F216-F260 HydrophobicContact CE1-CZ 3.45Å; F216-F260 VanDerWaalsContact CE1-CZ 3.45Å; F216-F260 AromaticContact CE2-CE2 3.62Å; F216-F260 HydrophobicContact CE2-CE2 3.62Å; F216-F260 AromaticContact CE2-CZ 3.6Å; F216-F260 HydrophobicContact CE2-CZ 3.6Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.43Å; F216-F260 HydrophobicContact CG-CZ 3.43Å; F216-F260 VanDerWaalsContact CG-CZ 3.43Å; F216-F260 AromaticContact CZ-CE2 3.62Å; F216-F260 HydrophobicContact CZ-CE2 3.62Å; F216-F260 AromaticContact CZ-CZ 3.56Å; F216-F260 HydrophobicContact CZ-CZ 3.56Å; V219-F260 HydrophobicContact CG2-CE1 4.31Å; I222-F260 HydrophobicContact CD1-CB 4.01Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.42Å; I222-F260 VanDerWaalsContact CD1-CD2 3.42Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.39Å; I222-F260 HydrophobicContact CD1-CZ 3.67Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I254-F260 HydrophobicContact CD1-CE2 4.21Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å; N257-F260 HydrophobicContact CB-CD2 3.72Å; N257-F260 HydrophobicContact CB-CE2 4.39Å; N257-F260 HydrophobicContact CB-CG 4.45Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.46Å; K258-F260 PolarHBondContact O-N 3.39Å; F260-T263 HydrophobicContact CD1-CG2 4.46Å; F260-K318 PolarHBondContact O-NZ 2.98Å |
| 261 | T | 91.5 | Very high | 95.7 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 37% | 0.368 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -68.6 | -55.6 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 109.1 | K258 K318 | K258-T261 PolarHBondContact O-N 3.43Å; K258-T261 PolarHBondContact O-OG1 3.45Å; T261-K318 PolarHBondContact O-NZ 3.4Å |
| 262 | D | 88.8 | Confident | 95.7 | Very high | 153 Ų | 153 | 41.7 Ų | 41.7 | 82% | 0.818 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -93.2 | -5.2 | -175.8 | -48.5 | -51.3 | 0 | 0 | 0 | 113.6 | ||
| 263 | T | 92.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -71.4 | 130.1 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | V219 I222 F260 K318 | V219-T263 HydrophobicContact CB-CG2 4.23Å; V219-T263 HydrophobicContact CG1-CG2 3.76Å; V219-T263 WeakPolarHBondContact O-CG2 3.45Å; V219-T263 PolarHBondContact O-OG1 2.93Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.91Å; F260-T263 HydrophobicContact CD1-CG2 4.46Å; T263-K318 WeakPolarHBondContact O-CE 3.36Å; T263-K318 PolarHBondContact O-NZ 3.17Å |
| 264 | S | 92.2 | Very high | 95.7 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 137.4 | 173.5 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | A221 I222 N347 | A221-S264 CarbonylContact C-O 3.42Å; A221-S264 VanDerWaalsContact CA-O 3.3Å; A221-S264 WeakPolarHBondContact CA-O 3.32Å; I222-S264 PolarHBondContact N-O 2.87Å; S264-N347 PolarHBondContact OG-ND2 3.47Å |
| 265 | I | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.8 | 178.6 | -58.8 | -173.8 | 0 | 0 | 0 | 109.9 | I222 F251 C255 I320 Y321 | I222-I265 HydrophobicContact CB-CG1 4.41Å; F251-I265 HydrophobicContact CE2-CG2 4.07Å; F251-I265 HydrophobicContact CZ-CG2 4.46Å; C255-I265 HydrophobicContact CB-CD1 3.92Å; I265-I320 HydrophobicContact CB-CD1 3.72Å; I265-I320 HydrophobicContact CD1-CD1 4.31Å; I265-I320 HydrophobicContact CG1-CD1 4.49Å; I265-I320 HydrophobicContact CG2-CD1 3.86Å; I265-Y321 PolarHBondContact O-N 3.39Å |
| 266 | I | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.1 | 173.5 | -57.1 | 103.8 | 0 | 0 | 0 | 108.2 | A221 I222 I223 F224 F268 Y321 V340 | A221-I266 HydrophobicContact CB-CD1 3.77Å; I222-I266 PolarHBondContact O-N 2.94Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.17Å; I223-I266 HydrophobicContact CG1-CB 4.25Å; I223-I266 HydrophobicContact CG1-CD1 4.25Å; F224-I266 PolarHBondContact N-O 3.06Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 VanDerWaalsContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.42Å; I266-Y321 CarbonylContact C-O 3.54Å; I266-Y321 VanDerWaalsContact CA-O 3.3Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; I266-Y321 WeakPolarHBondContact CG2-O 3.21Å; I266-V340 HydrophobicContact CB-CG2 4.5Å; I266-V340 HydrophobicContact CD1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG1 3.86Å; I266-V340 HydrophobicContact CG1-CG2 4.19Å; I266-V340 HydrophobicContact CG2-CG2 3.61Å |
| 267 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112.2 | 177.9 | 177.7 | 63.9 | 0 | 0 | 0 | 109.7 | F224 V226 F251 L269 F308 I320 Y321 T322 H323 | F224-L267 HydrophobicContact CD1-CD1 4.09Å; V226-L267 HydrophobicContact CG2-CD1 3.65Å; F251-L267 HydrophobicContact CD2-CD1 4.27Å; F251-L267 HydrophobicContact CE2-CD1 4.01Å; F251-L267 HydrophobicContact CZ-CD1 4.42Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4.05Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD2 4.03Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L267-F308 HydrophobicContact CD1-CD1 4.23Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.15Å; L267-I320 HydrophobicContact CB-CG2 3.74Å; L267-I320 HydrophobicContact CD2-CG2 4.44Å; L267-Y321 PolarHBondContact N-O 3.3Å; L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 3.96Å; L267-T322 HydrophobicContact CG-CG2 4.19Å; L267-T322 CarbonylContact O-C 3.39Å; L267-T322 WeakPolarHBondContact O-CA 3.41Å; L267-H323 PolarHBondContact O-N 2.88Å |
| 268 | F | 98.6 | Very high | 96 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 105.8 | 172.6 | -79.7 | 8.2 | 0 | 0 | 0 | 109.9 | I49 I223 F224 V226 I266 N270 H323 T325 V336 V340 | I49-F268 HydrophobicContact CD1-CD2 4.2Å; I49-F268 HydrophobicContact CD1-CE2 4.14Å; I49-F268 HydrophobicContact CG1-CD2 4.31Å; I49-F268 HydrophobicContact CG1-CE2 4.41Å; I49-F268 HydrophobicContact CG2-CE2 4.48Å; I223-F268 HydrophobicContact CD1-CZ 4.38Å; I223-F268 HydrophobicContact CG2-CB 4.43Å; I223-F268 HydrophobicContact CG2-CD1 4.15Å; I223-F268 HydrophobicContact CG2-CD2 3.49Å; I223-F268 VanDerWaalsContact CG2-CD2 3.49Å; I223-F268 HydrophobicContact CG2-CE1 4.28Å; I223-F268 HydrophobicContact CG2-CE2 3.62Å; I223-F268 HydrophobicContact CG2-CG 3.76Å; I223-F268 HydrophobicContact CG2-CZ 4.02Å; F224-F268 PolarHBondContact O-N 3.46Å; V226-F268 PolarHBondContact N-O 3.16Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 VanDerWaalsContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.42Å; F268-N270 PolarHBondContact O-N 3.39Å; F268-N270 VanDerWaalsContact O-N 3.17Å; F268-H323 HydrophobicContact CD1-CB 4.19Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; F268-T325 HydrophobicContact CB-CG2 4.44Å; F268-T325 HydrophobicContact CD1-CG2 4.17Å; F268-T325 HydrophobicContact CD2-CG2 4.09Å; F268-T325 HydrophobicContact CE1-CG2 4.44Å; F268-T325 HydrophobicContact CE2-CG2 4.39Å; F268-T325 HydrophobicContact CG-CG2 3.99Å; F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.42Å; F268-V336 VanDerWaalsContact CE1-CG1 3.42Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.56Å; F268-V340 HydrophobicContact CE1-CG2 3.92Å; F268-V340 HydrophobicContact CZ-CG2 4.22Å |
| 269 | L | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 84.5 | 168.4 | -61.8 | -179.3 | 0 | 0 | 0 | 108.2 | V226 L228 L267 Q305 F308 T322 H323 F324 T325 | V226-L269 HydrophobicContact CB-CD2 3.99Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.23Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 4.25Å; L228-L269 HydrophobicContact CG-CB 3.94Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4.05Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD2 4.03Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L269-Q305 HydrophobicContact CD1-CB 3.65Å; L269-Q305 HydrophobicContact CD1-CG 4.23Å; L269-F308 HydrophobicContact CD2-CD2 4.37Å; L269-T322 HydrophobicContact CD1-CG2 3.56Å; L269-T322 HydrophobicContact CG-CG2 3.87Å; L269-H323 PolarHBondContact N-O 3.32Å; L269-F324 HydrophobicContact CB-CD1 3.78Å; L269-F324 HydrophobicContact CB-CE1 3.95Å; L269-F324 HydrophobicContact CD1-CD1 4.08Å; L269-F324 HydrophobicContact CD1-CE1 3.43Å; L269-F324 VanDerWaalsContact CD1-CE1 3.43Å; L269-F324 HydrophobicContact CD1-CZ 3.74Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.48Å; L269-T325 PolarHBondContact O-N 3.42Å |
| 270 | N | 98.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 167.8 | -169 | -170.9 | 35 | 0 | 0 | 0 | 113 | S44 V226 L228 F268 K272 T325 A327 | S44-N270 PolarHBondContact O-ND2 2.85Å; V226-N270 WeakPolarHBondContact O-CA 3.38Å; V226-N270 WeakPolarHBondContact O-CB 3.15Å; V226-N270 PolarHBondContact O-N 2.97Å; L228-N270 WeakPolarHBondContact CB-O 3.46Å; L228-N270 PolarHBondContact N-O 2.98Å; F268-N270 PolarHBondContact O-N 3.39Å; F268-N270 VanDerWaalsContact O-N 3.17Å; N270-K272 VanDerWaalsContact C-N 3.28Å; N270-K272 PolarHBondContact O-N 2.68Å; N270-T325 CarbonylContact C-O 3.48Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.45Å; N270-T325 WeakPolarHBondContact CA-OG1 3.44Å; N270-T325 VanDerWaalsContact CB-OG1 3.32Å; N270-T325 WeakPolarHBondContact CB-OG1 3.43Å; N270-T325 PolarHBondContact OD1-O 2.94Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; N270-A327 WeakPolarHBondContact OD1-CB 3.15Å; N270-A327 PolarHBondContact OD1-N 3.13Å |
| 271 | K | 98.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 44 Ų | 44 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | trans | 60.1 | 38.9 | -177 | -49.6 | -175.6 | -172.5 | 178.1 | 0 | 112 | E43 D151 A227 S229 D273 L274 F275 T325 | E43-K271 WeakPolarHBondContact O-CE 3.42Å; E43-K271 PolarHBondContact O-NZ 3.21Å; D151-K271 WeakPolarHBondContact OD2-CD 3.32Å; D151-K271 WeakPolarHBondContact OD2-CE 3.45Å; D151-K271 IonicContact OD2-NZ 2.69Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; A227-K271 HydrophobicContact CB-CD 3.93Å; S229-K271 WeakPolarHBondContact OG-CD 3.28Å; K271-D273 VanDerWaalsContact C-OD1 3.26Å; K271-D273 WeakPolarHBondContact CA-OD1 3.2Å; K271-D273 PolarHBondContact O-N 3.15Å; K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CB-CD1 4.36Å; K271-L274 HydrophobicContact CD-CD1 4.22Å; K271-L274 PolarHBondContact O-N 2.95Å; K271-F275 WeakPolarHBondContact O-CB 3.3Å; K271-F275 PolarHBondContact O-N 3.42Å; K271-T325 PolarHBondContact N-O 2.97Å | ||
| 272 | K | 98.1 | Very high | 96.6 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 26% | 0.261 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.7 | -32.4 | 178.2 | 73.4 | 176.9 | -172.7 | 169.7 | 0 | 112.1 | L228 N270 F275 E276 Y297 F324 T325 C326 | L228-K272 HydrophobicContact CD1-CB 4.22Å; N270-K272 VanDerWaalsContact C-N 3.28Å; N270-K272 PolarHBondContact O-N 2.68Å; K272-F275 PolarHBondContact O-N 3.12Å; K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.01Å; K272-E276 PolarHBondContact O-N 3.03Å; K272-Y297 HydrophobicContact CB-CE2 3.98Å; K272-F324 HydrophobicContact CD-CB 4.11Å; K272-T325 WeakPolarHBondContact CG-O 3.37Å; K272-T325 PolarHBondContact N-O 3.43Å; K272-T325 VanDerWaalsContact N-O 3.17Å; K272-C326 HydrophobicContact CG-CB 4.25Å |
| 273 | D | 97.4 | Very high | 97 | Very high | 46 Ų | 46 | 36.1 Ų | 36.1 | 25% | 0.246 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -52.6 | 175.7 | 57.7 | -40.1 | 0 | 0 | 0 | 111.3 | R177 K271 F275 E276 E277 C326 | R177-D273 IonicContact NH2-OD2 4Å; K271-D273 VanDerWaalsContact C-OD1 3.26Å; K271-D273 WeakPolarHBondContact CA-OD1 3.2Å; K271-D273 PolarHBondContact O-N 3.15Å; D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.49Å; D273-E276 PolarHBondContact O-N 3.35Å; D273-E277 PolarHBondContact O-N 2.97Å; D273-C326 VanDerWaalsContact CG-SG 3.55Å |
| 274 | L | 97.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 18% | 0.183 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.6 | -32.8 | 178.5 | -59.1 | -178.4 | 0 | 0 | 0 | 111.8 | D151 K271 K278 | D151-L274 HydrophobicContact CB-CD1 3.67Å; K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CB-CD1 4.36Å; K271-L274 HydrophobicContact CD-CD1 4.22Å; K271-L274 PolarHBondContact O-N 2.95Å; L274-K278 WeakPolarHBondContact O-CB 3.07Å; L274-K278 PolarHBondContact O-N 3.29Å |
| 275 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | 175.7 | 177.8 | -104.7 | 0 | 0 | 0 | 112.1 | L228 Y231 K271 K272 D273 E277 K278 I279 Y297 A300 A301 I304 | L228-F275 HydrophobicContact CB-CB 3.65Å; L228-F275 HydrophobicContact CB-CD1 4.38Å; L228-F275 HydrophobicContact CB-CD2 4.01Å; L228-F275 HydrophobicContact CB-CG 3.75Å; L228-F275 HydrophobicContact CD1-CD1 4.35Å; L228-F275 HydrophobicContact CD1-CG 4.49Å; L228-F275 WeakPolarHBondContact O-CD2 3.38Å; Y231-F275 AromaticContact CD1-CD2 3.69Å; Y231-F275 HydrophobicContact CD1-CD2 3.69Å; Y231-F275 AromaticContact CD1-CE2 3.63Å; Y231-F275 HydrophobicContact CD1-CE2 3.63Å; Y231-F275 AromaticContact CE1-CD2 3.57Å; Y231-F275 HydrophobicContact CE1-CD2 3.57Å; Y231-F275 AromaticContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CG-CE2 4.47Å; K271-F275 WeakPolarHBondContact O-CB 3.3Å; K271-F275 PolarHBondContact O-N 3.42Å; K272-F275 PolarHBondContact O-N 3.12Å; D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.49Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.45Å; F275-K278 PolarHBondContact O-N 2.76Å; F275-I279 HydrophobicContact CE2-CB 4.44Å; F275-I279 HydrophobicContact CE2-CD1 4.32Å; F275-I279 HydrophobicContact CZ-CB 4.33Å; F275-I279 HydrophobicContact CZ-CD1 4.24Å; F275-I279 HydrophobicContact CZ-CG1 4.24Å; F275-I279 WeakPolarHBondContact O-CB 3.39Å; F275-I279 WeakPolarHBondContact O-CG2 3.45Å; F275-I279 PolarHBondContact O-N 2.95Å; F275-Y297 AromaticContact CD1-CD2 3.69Å; F275-Y297 HydrophobicContact CD1-CD2 3.69Å; F275-Y297 AromaticContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CE1-CD2 4.11Å; F275-A300 HydrophobicContact CE1-CB 4.14Å; F275-A300 HydrophobicContact CZ-CB 3.68Å; F275-A301 HydrophobicContact CE1-CB 3.91Å; F275-I304 HydrophobicContact CE2-CD1 3.67Å; F275-I304 HydrophobicContact CZ-CD1 3.71Å |
| 276 | E | 98.2 | Very high | 97.6 | Very high | 107 Ų | 107 | 40.8 Ų | 40.8 | 50% | 0.5 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 178.4 | -179.5 | 167.7 | -149.3 | 0 | 0 | 112 | K272 D273 I279 Y297 | K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.01Å; K272-E276 PolarHBondContact O-N 3.03Å; D273-E276 PolarHBondContact O-N 3.35Å; E276-I279 WeakPolarHBondContact O-CG2 3.32Å; E276-Y297 HydrophobicContact CB-CD2 3.61Å; E276-Y297 HydrophobicContact CB-CE2 4.26Å; E276-Y297 HydrophobicContact CB-CG 4.19Å; E276-Y297 HydrophobicContact CG-CD2 4.12Å; E276-Y297 HydrophobicContact CG-CG 4.18Å |
| 277 | E | 96.7 | Very high | 97.7 | Very high | 131 Ų | 131 | 40.8 Ų | 40.8 | 61% | 0.612 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -66.7 | -51.5 | 173.3 | -172.7 | -175.1 | 162.5 | 0 | 0 | 111.1 | D273 F275 I279 T280 H281 | D273-E277 PolarHBondContact O-N 2.97Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.45Å; E277-I279 PolarHBondContact O-N 3.28Å; E277-T280 PolarHBondContact O-N 3.44Å; E277-T280 PolarHBondContact O-OG1 3.47Å; E277-H281 PolarHBondContact O-CE1 2.78Å; E277-H281 VanDerWaalsContact O-CE1 3.26Å; E277-H281 PolarHBondContact O-ND1 3.48Å |
| 278 | K | 97.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 15% | 0.148 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | -171.1 | -173 | -175.2 | -86.1 | -161.2 | 0 | 114 | S229 Y231 D232 L274 F275 T280 H281 S282 | S229-K278 PolarHBondContact O-NZ 3.34Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.5Å; D232-K278 WeakPolarHBondContact OD1-CD 3.31Å; D232-K278 IonicContact OD1-NZ 2.82Å; D232-K278 PolarHBondContact OD1-NZ 3.1Å; D232-K278 WeakPolarHBondContact OD2-CD 3.33Å; D232-K278 IonicContact OD2-NZ 3.25Å; L274-K278 WeakPolarHBondContact O-CB 3.07Å; L274-K278 PolarHBondContact O-N 3.29Å; F275-K278 PolarHBondContact O-N 2.76Å; K278-T280 PolarHBondContact O-N 3.28Å; K278-T280 VanDerWaalsContact O-N 3.11Å; K278-H281 VanDerWaalsContact CA-CE1 3.46Å; K278-H281 WeakPolarHBondContact CA-CE1 3.36Å; K278-H281 PolarHBondContact O-N 3Å; K278-H281 VanDerWaalsContact O-N 3.09Å; K278-S282 PolarHBondContact O-N 3.43Å |
| 279 | I | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -25.7 | -176.3 | -167.2 | 60.1 | 0 | 0 | 0 | 112.4 | Y231 F275 E276 E277 H281 L284 N295 A300 | Y231-I279 HydrophobicContact CE2-CD1 4.48Å; Y231-I279 WeakPolarHBondContact OH-CA 3.47Å; Y231-I279 PolarHBondContact OH-N 3.43Å; F275-I279 HydrophobicContact CE2-CB 4.44Å; F275-I279 HydrophobicContact CE2-CD1 4.32Å; F275-I279 HydrophobicContact CZ-CB 4.33Å; F275-I279 HydrophobicContact CZ-CD1 4.24Å; F275-I279 HydrophobicContact CZ-CG1 4.24Å; F275-I279 WeakPolarHBondContact O-CB 3.39Å; F275-I279 WeakPolarHBondContact O-CG2 3.45Å; F275-I279 PolarHBondContact O-N 2.95Å; E276-I279 WeakPolarHBondContact O-CG2 3.32Å; E277-I279 PolarHBondContact O-N 3.28Å; I279-H281 PolarHBondContact O-N 3.26Å; I279-L284 HydrophobicContact CD1-CB 3.94Å; I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.14Å; I279-N295 WeakPolarHBondContact O-CB 3.39Å; I279-A300 HydrophobicContact CD1-CB 3.98Å; I279-A300 HydrophobicContact CG1-CB 3.89Å |
| 280 | T | 96.6 | Very high | 97.6 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 64% | 0.638 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.1 | 178.6 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | E277 K278 | E277-T280 PolarHBondContact O-N 3.44Å; E277-T280 PolarHBondContact O-OG1 3.47Å; K278-T280 PolarHBondContact O-N 3.28Å; K278-T280 VanDerWaalsContact O-N 3.11Å |
| 281 | H | 95.3 | Very high | 97.5 | Very high | 124 Ų | 124 | 51.2 Ų | 51.2 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | -7.1 | -174.7 | 54.9 | -96.6 | 0 | 0 | 0 | 114.6 | E277 K278 I279 | E277-H281 PolarHBondContact O-CE1 2.78Å; E277-H281 VanDerWaalsContact O-CE1 3.26Å; E277-H281 PolarHBondContact O-ND1 3.48Å; K278-H281 VanDerWaalsContact CA-CE1 3.46Å; K278-H281 WeakPolarHBondContact CA-CE1 3.36Å; K278-H281 PolarHBondContact O-N 3Å; K278-H281 VanDerWaalsContact O-N 3.09Å; I279-H281 PolarHBondContact O-N 3.26Å |
| 282 | S | 96.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -125.5 | 108.1 | 174.2 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | R145 Y231 D232 K278 | R145-S282 PolarHBondContact NH1-OG 3.13Å; R145-S282 VanDerWaalsContact NH1-OG 3.1Å; Y231-S282 WeakPolarHBondContact CE2-O 3.5Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 2.9Å; D232-S282 WeakPolarHBondContact CB-OG 3.43Å; D232-S282 WeakPolarHBondContact OD2-CB 3.41Å; D232-S282 PolarHBondContact OD2-OG 3.18Å; K278-S282 PolarHBondContact O-N 3.43Å |
| 283 | P | 97.3 | Very high | 97.4 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | trans | -69 | 143.4 | -170.6 | 27.4 | -35.3 | 0 | 0 | 0 | 112.6 | T285 I286 N295 | P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.12Å; P283-I286 HydrophobicContact CG-CD1 4.11Å; P283-I286 HydrophobicContact CG-CG1 4.22Å; P283-I286 WeakPolarHBondContact O-CG1 3.4Å; P283-I286 PolarHBondContact O-N 3.14Å; P283-N295 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 284 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -62.6 | -23 | -179.8 | -172.6 | 60.4 | 0 | 0 | 0 | 112.8 | Y231 I279 I286 C287 F288 Y291 N295 A300 Y303 I304 | Y231-L284 HydrophobicContact CD2-CD1 3.91Å; Y231-L284 HydrophobicContact CE2-CD1 4.5Å; Y231-L284 HydrophobicContact CG-CD1 4.07Å; I279-L284 HydrophobicContact CD1-CB 3.94Å; L284-I286 PolarHBondContact O-N 3.1Å; L284-I286 VanDerWaalsContact O-N 3.09Å; L284-C287 PolarHBondContact O-N 3.44Å; L284-F288 HydrophobicContact CD1-CD2 3.73Å; L284-F288 HydrophobicContact CD1-CE2 4.1Å; L284-F288 HydrophobicContact CD2-CD2 4.29Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.95Å; L284-Y291 HydrophobicContact CB-CD1 3.79Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.38Å; L284-Y291 HydrophobicContact CD2-CD1 3.86Å; L284-Y291 HydrophobicContact CD2-CD2 3.88Å; L284-Y291 HydrophobicContact CD2-CE1 3.92Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.81Å; L284-Y291 HydrophobicContact CG-CD1 4.19Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; L284-N295 PolarHBondContact N-OD1 2.9Å; L284-A300 HydrophobicContact CD2-CB 3.98Å; L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.49Å; L284-I304 HydrophobicContact CD1-CD1 3.93Å; L284-I304 HydrophobicContact CD1-CG1 4.21Å; L284-I304 HydrophobicContact CD2-CG1 4.45Å |
| 285 | T | 98.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -61.8 | -14.7 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | P283 C287 F288 P289 Y291 | P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.12Å; T285-C287 VanDerWaalsContact C-N 3.28Å; T285-C287 PolarHBondContact O-N 2.65Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; T285-P289 WeakPolarHBondContact O-CA 3.35Å; T285-Y291 WeakPolarHBondContact CG2-O 3.48Å |
| 286 | I | 96.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 62.8 Ų | 62.8 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -60.4 | -40.7 | 168.9 | -67.8 | 167.2 | 0 | 0 | 0 | 110.9 | D232 P283 L284 | D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.25Å; P283-I286 HydrophobicContact CG-CD1 4.11Å; P283-I286 HydrophobicContact CG-CG1 4.22Å; P283-I286 WeakPolarHBondContact O-CG1 3.4Å; P283-I286 PolarHBondContact O-N 3.14Å; L284-I286 PolarHBondContact O-N 3.1Å; L284-I286 VanDerWaalsContact O-N 3.09Å |
| 287 | C | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -41.5 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | Y231 H245 L284 T285 P289 | Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.48Å; H245-C287 PolarHBondContact NE2-O 3.5Å; L284-C287 PolarHBondContact O-N 3.44Å; T285-C287 VanDerWaalsContact C-N 3.28Å; T285-C287 PolarHBondContact O-N 2.65Å; C287-P289 WeakPolarHBondContact O-CD 3.15Å |
| 288 | F | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | trans | -125.3 | 81.5 | -173.2 | -57.6 | -73.6 | 0 | 0 | 0 | 110 | M244 H245 M248 L284 T285 E290 Y291 Y303 I304 K307 | M244-F288 HydrophobicContact CG-CE2 4.19Å; M244-F288 HydrophobicContact CG-CZ 3.92Å; H245-F288 AromaticContact CE1-CE1 3.98Å; M248-F288 HydrophobicContact CE-CE1 4.48Å; M248-F288 HydrophobicContact SD-CE1 3.78Å; M248-F288 HydrophobicContact SD-CZ 3.8Å; L284-F288 HydrophobicContact CD1-CD2 3.73Å; L284-F288 HydrophobicContact CD1-CE2 4.1Å; L284-F288 HydrophobicContact CD2-CD2 4.29Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.95Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.49Å; F288-E290 PolarHBondContact O-N 2.61Å; F288-Y291 VanDerWaalsContact O-CB 3.22Å; F288-Y291 WeakPolarHBondContact O-CB 3.46Å; F288-Y291 PolarHBondContact O-N 3.17Å; F288-Y303 HydrophobicContact CB-CE1 3.81Å; F288-Y303 HydrophobicContact CD1-CE1 4.17Å; F288-Y303 HydrophobicContact CD2-CD1 4.39Å; F288-Y303 HydrophobicContact CD2-CE1 4Å; F288-Y303 AromaticContact CG-CE1 3.73Å; F288-Y303 HydrophobicContact CG-CE1 3.73Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; F288-K307 HydrophobicContact CE1-CD 4.5Å; F288-K307 HydrophobicContact CE1-CG 4.22Å; F288-K307 HydrophobicContact CZ-CG 4.49Å | ||
| 289 | P | 97.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -24.2 | -176.1 | -27.3 | 35.8 | 0 | 0 | 0 | 114.5 | T285 C287 Y291 | T285-P289 WeakPolarHBondContact O-CA 3.35Å; C287-P289 WeakPolarHBondContact O-CD 3.15Å; P289-Y291 VanDerWaalsContact C-N 3.34Å |
| 290 | E | 97.1 | Very high | 97.4 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.2 | 177.6 | 77.4 | -79.6 | -164.1 | 0 | 0 | 114.6 | F288 T292 Y303 K307 | F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.49Å; F288-E290 PolarHBondContact O-N 2.61Å; E290-T292 PolarHBondContact O-N 3.46Å; E290-Y303 WeakPolarHBondContact CG-OH 3.46Å; E290-Y303 PolarHBondContact OE1-OH 3.25Å; E290-Y303 VanDerWaalsContact OE1-OH 3.13Å; E290-K307 IonicContact OE1-NZ 3.02Å; E290-K307 PolarHBondContact OE1-NZ 2.92Å |
| 291 | Y | 98.1 | Very high | 97.4 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | trans | -68.3 | 124.5 | 179.1 | -179.8 | -109.9 | 0 | 0 | 0 | 111.4 | L284 T285 F288 P289 G293 A294 A300 Y303 | L284-Y291 HydrophobicContact CB-CD1 3.79Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.38Å; L284-Y291 HydrophobicContact CD2-CD1 3.86Å; L284-Y291 HydrophobicContact CD2-CD2 3.88Å; L284-Y291 HydrophobicContact CD2-CE1 3.92Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.81Å; L284-Y291 HydrophobicContact CG-CD1 4.19Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; T285-Y291 WeakPolarHBondContact CG2-O 3.48Å; F288-Y291 VanDerWaalsContact O-CB 3.22Å; F288-Y291 WeakPolarHBondContact O-CB 3.46Å; F288-Y291 PolarHBondContact O-N 3.17Å; P289-Y291 VanDerWaalsContact C-N 3.34Å; Y291-G293 VanDerWaalsContact CE1-C 3.45Å; Y291-G293 WeakPolarHBondContact CE1-O 3.15Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å; Y291-A294 PolarHBondContact OH-O 3.15Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.86Å; Y291-Y303 AromaticContact CD2-CD1 3.71Å; Y291-Y303 HydrophobicContact CD2-CD1 3.71Å; Y291-Y303 AromaticContact CD2-CD2 3.54Å; Y291-Y303 HydrophobicContact CD2-CD2 3.54Å; Y291-Y303 AromaticContact CD2-CE1 3.92Å; Y291-Y303 HydrophobicContact CD2-CE1 3.92Å; Y291-Y303 AromaticContact CD2-CE2 3.75Å; Y291-Y303 HydrophobicContact CD2-CE2 3.75Å; Y291-Y303 AromaticContact CD2-CG 3.49Å; Y291-Y303 HydrophobicContact CD2-CG 3.49Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.49Å; Y291-Y303 AromaticContact CD2-CZ 3.91Å; Y291-Y303 HydrophobicContact CE2-CD1 4.17Å; Y291-Y303 AromaticContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CE2 4.46Å; Y291-Y303 AromaticContact CE2-CG 3.62Å; Y291-Y303 HydrophobicContact CE2-CG 3.62Å | ||
| 292 | T | 97 | Very high | 97.6 | Very high | 142 Ų | 142 | 54.1 Ų | 54.1 | 87% | 0.871 | 31% | 0.305 | S | S | * | . | trans | -112.7 | -3.4 | -177.8 | 55.4 | 0 | 0 | 0 | 0 | 114 | E290 | E290-T292 PolarHBondContact O-N 3.46Š| ||
| 293 | G | 95.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75.2 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y291 | Y291-G293 VanDerWaalsContact CE1-C 3.45Å; Y291-G293 WeakPolarHBondContact CE1-O 3.15Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å |
| 294 | A | 96.5 | Very high | 97.7 | Very high | 35 Ų | 35 | 54 Ų | 54 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | trans | -73.8 | 147.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y291 K296 E299 | Y291-A294 PolarHBondContact OH-O 3.15Å; A294-K296 HydrophobicContact CB-CB 4.44Å; A294-K296 HydrophobicContact CB-CD 4.17Å; A294-K296 HydrophobicContact CB-CG 4.04Å; A294-K296 PolarHBondContact O-N 3.01Å; A294-E299 WeakPolarHBondContact CB-OE1 3.39Å; A294-E299 PolarHBondContact N-OE2 2.97Å | ||
| 295 | N | 96.9 | Very high | 97.8 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.5 | 61.8 | 169.7 | -65.9 | -51.4 | 0 | 0 | 0 | 110.9 | I279 P283 L284 | I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.14Å; I279-N295 WeakPolarHBondContact O-CB 3.39Å; P283-N295 WeakPolarHBondContact CA-OD1 3.31Å; L284-N295 PolarHBondContact N-OD1 2.9Å |
| 296 | K | 97.6 | Very high | 97.8 | Very high | 136 Ų | 136 | 55.4 Ų | 55.4 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -121.5 | 147.7 | 176 | -68.7 | -178.6 | 178.8 | 177.1 | 0 | 108.6 | A294 D298 E299 A300 | A294-K296 HydrophobicContact CB-CB 4.44Å; A294-K296 HydrophobicContact CB-CD 4.17Å; A294-K296 HydrophobicContact CB-CG 4.04Å; A294-K296 PolarHBondContact O-N 3.01Å; K296-D298 PolarHBondContact O-N 2.96Å; K296-E299 PolarHBondContact O-N 3.34Å; K296-A300 WeakPolarHBondContact O-CB 3.08Å; K296-A300 PolarHBondContact O-N 3.27Å |
| 297 | Y | 98.2 | Very high | 97.8 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -48.6 | -58 | -175.7 | 174.1 | -97.8 | 0 | 0 | 0 | 112.8 | K272 F275 E276 E299 A300 A301 | K272-Y297 HydrophobicContact CB-CE2 3.98Å; F275-Y297 AromaticContact CD1-CD2 3.69Å; F275-Y297 HydrophobicContact CD1-CD2 3.69Å; F275-Y297 AromaticContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CE1-CD2 4.11Å; E276-Y297 HydrophobicContact CB-CD2 3.61Å; E276-Y297 HydrophobicContact CB-CE2 4.26Å; E276-Y297 HydrophobicContact CB-CG 4.19Å; E276-Y297 HydrophobicContact CG-CD2 4.12Å; E276-Y297 HydrophobicContact CG-CG 4.18Å; Y297-E299 PolarHBondContact O-N 3.14Å; Y297-A300 PolarHBondContact O-N 3.48Å; Y297-A301 HydrophobicContact CE2-CB 4.27Å; Y297-A301 WeakPolarHBondContact O-CB 3.46Å; Y297-A301 PolarHBondContact O-N 3.43Å |
| 298 | D | 97.6 | Very high | 97.9 | Very high | 120 Ų | 120 | 54.2 Ų | 54.2 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | -172.8 | -64.2 | -40.6 | 0 | 0 | 0 | 113.1 | K296 S302 | K296-D298 PolarHBondContact O-N 2.96Å; D298-S302 WeakPolarHBondContact O-CB 3.36Å; D298-S302 PolarHBondContact O-N 3.14Å; D298-S302 PolarHBondContact O-OG 3.23Å |
| 299 | E | 97.8 | Very high | 97.8 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | -178.9 | -68.8 | 179.6 | -124.7 | 0 | 0 | 111.7 | A294 K296 Y297 Y303 | A294-E299 WeakPolarHBondContact CB-OE1 3.39Å; A294-E299 PolarHBondContact N-OE2 2.97Å; K296-E299 PolarHBondContact O-N 3.34Å; Y297-E299 PolarHBondContact O-N 3.14Å; E299-Y303 WeakPolarHBondContact O-CB 3.37Å; E299-Y303 PolarHBondContact O-N 3.39Å; E299-Y303 VanDerWaalsContact O-N 3.1Å |
| 300 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.2 | -41.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F275 I279 L284 Y291 K296 Y297 Y303 I304 | F275-A300 HydrophobicContact CE1-CB 4.14Å; F275-A300 HydrophobicContact CZ-CB 3.68Å; I279-A300 HydrophobicContact CD1-CB 3.98Å; I279-A300 HydrophobicContact CG1-CB 3.89Å; L284-A300 HydrophobicContact CD2-CB 3.98Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.86Å; K296-A300 WeakPolarHBondContact O-CB 3.08Å; K296-A300 PolarHBondContact O-N 3.27Å; Y297-A300 PolarHBondContact O-N 3.48Å; A300-Y303 PolarHBondContact O-N 3.44Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å |
| 301 | A | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F275 Y297 Y303 I304 Q305 F324 | F275-A301 HydrophobicContact CE1-CB 3.91Å; Y297-A301 HydrophobicContact CE2-CB 4.27Å; Y297-A301 WeakPolarHBondContact O-CB 3.46Å; Y297-A301 PolarHBondContact O-N 3.43Å; A301-Y303 VanDerWaalsContact C-N 3.3Å; A301-Y303 PolarHBondContact O-N 2.73Å; A301-I304 PolarHBondContact O-N 3.03Å; A301-Q305 WeakPolarHBondContact O-CB 3.1Å; A301-Q305 PolarHBondContact O-N 3.44Å; A301-F324 HydrophobicContact CB-CD1 4.43Å; A301-F324 HydrophobicContact CB-CE1 3.64Å; A301-F324 HydrophobicContact CB-CZ 4Å |
| 302 | S | 98.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 175.8 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | D298 Q305 S306 | D298-S302 WeakPolarHBondContact O-CB 3.36Å; D298-S302 PolarHBondContact O-N 3.14Å; D298-S302 PolarHBondContact O-OG 3.23Å; S302-Q305 WeakPolarHBondContact O-CB 3.49Å; S302-Q305 PolarHBondContact O-N 2.89Å; S302-S306 PolarHBondContact O-N 3.41Å |
| 303 | Y | 98.6 | Very high | 97.8 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 18% | 0.18 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 174.7 | -177.3 | -91.5 | 0 | 0 | 0 | 112.3 | L284 F288 E290 Y291 E299 A300 A301 Q305 S306 K307 | L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.49Å; F288-Y303 HydrophobicContact CB-CE1 3.81Å; F288-Y303 HydrophobicContact CD1-CE1 4.17Å; F288-Y303 HydrophobicContact CD2-CD1 4.39Å; F288-Y303 HydrophobicContact CD2-CE1 4Å; F288-Y303 AromaticContact CG-CE1 3.73Å; F288-Y303 HydrophobicContact CG-CE1 3.73Å; E290-Y303 WeakPolarHBondContact CG-OH 3.46Å; E290-Y303 PolarHBondContact OE1-OH 3.25Å; E290-Y303 VanDerWaalsContact OE1-OH 3.13Å; Y291-Y303 AromaticContact CD2-CD1 3.71Å; Y291-Y303 HydrophobicContact CD2-CD1 3.71Å; Y291-Y303 AromaticContact CD2-CD2 3.54Å; Y291-Y303 HydrophobicContact CD2-CD2 3.54Å; Y291-Y303 AromaticContact CD2-CE1 3.92Å; Y291-Y303 HydrophobicContact CD2-CE1 3.92Å; Y291-Y303 AromaticContact CD2-CE2 3.75Å; Y291-Y303 HydrophobicContact CD2-CE2 3.75Å; Y291-Y303 AromaticContact CD2-CG 3.49Å; Y291-Y303 HydrophobicContact CD2-CG 3.49Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.49Å; Y291-Y303 AromaticContact CD2-CZ 3.91Å; Y291-Y303 HydrophobicContact CE2-CD1 4.17Å; Y291-Y303 AromaticContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CE2 4.46Å; Y291-Y303 AromaticContact CE2-CG 3.62Å; Y291-Y303 HydrophobicContact CE2-CG 3.62Å; E299-Y303 WeakPolarHBondContact O-CB 3.37Å; E299-Y303 PolarHBondContact O-N 3.39Å; E299-Y303 VanDerWaalsContact O-N 3.1Å; A300-Y303 PolarHBondContact O-N 3.44Å; A301-Y303 VanDerWaalsContact C-N 3.3Å; A301-Y303 PolarHBondContact O-N 2.73Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.39Å; Y303-S306 PolarHBondContact O-N 3.44Å; Y303-S306 PolarHBondContact O-OG 3Å; Y303-K307 HydrophobicContact CD1-CG 4.2Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.41Å; Y303-K307 HydrophobicContact CE1-CG 3.92Å; Y303-K307 VanDerWaalsContact O-CG 3.31Å; Y303-K307 WeakPolarHBondContact O-CG 3.43Å; Y303-K307 PolarHBondContact O-N 3.45Å; Y303-K307 VanDerWaalsContact O-N 3.11Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 2.8Å |
| 304 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.2 | -65.6 | 167.1 | 0 | 0 | 0 | 110 | L228 M244 F275 L284 F288 A300 A301 S306 K307 F308 | L228-I304 HydrophobicContact CD2-CB 4.14Å; L228-I304 HydrophobicContact CD2-CD1 3.97Å; L228-I304 HydrophobicContact CD2-CG2 3.7Å; M244-I304 HydrophobicContact CE-CD1 4.34Å; M244-I304 HydrophobicContact CE-CG2 4.16Å; M244-I304 HydrophobicContact SD-CG2 4.17Å; F275-I304 HydrophobicContact CE2-CD1 3.67Å; F275-I304 HydrophobicContact CZ-CD1 3.71Å; L284-I304 HydrophobicContact CD1-CD1 3.93Å; L284-I304 HydrophobicContact CD1-CG1 4.21Å; L284-I304 HydrophobicContact CD2-CG1 4.45Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å; A301-I304 PolarHBondContact O-N 3.03Å; I304-S306 PolarHBondContact O-N 3.35Å; I304-K307 WeakPolarHBondContact O-CB 3.44Å; I304-K307 PolarHBondContact O-N 3.26Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.88Å; I304-F308 WeakPolarHBondContact O-CD2 3.37Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.17Å |
| 305 | Q | 98.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.3 | -52.4 | 175.5 | 170.2 | 172.6 | -0.2 | 0 | 0 | 111.8 | L269 A301 S302 Y303 K307 F308 E309 T322 F324 | L269-Q305 HydrophobicContact CD1-CB 3.65Å; L269-Q305 HydrophobicContact CD1-CG 4.23Å; A301-Q305 WeakPolarHBondContact O-CB 3.1Å; A301-Q305 PolarHBondContact O-N 3.44Å; S302-Q305 WeakPolarHBondContact O-CB 3.49Å; S302-Q305 PolarHBondContact O-N 2.89Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.39Å; Q305-K307 VanDerWaalsContact C-N 3.28Å; Q305-K307 PolarHBondContact O-N 2.8Å; Q305-F308 PolarHBondContact O-N 3.06Å; Q305-E309 HydrophobicContact CG-CG 4.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.48Å; Q305-E309 PolarHBondContact NE2-OE1 3.1Å; Q305-E309 PolarHBondContact O-N 2.94Å; Q305-T322 HydrophobicContact CG-CG2 3.97Å; Q305-F324 HydrophobicContact CB-CZ 4.12Å; Q305-F324 VanDerWaalsContact OE1-CZ 3.27Å |
| 306 | S | 98 | Very high | 97.1 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | -179.1 | 68.4 | 0 | 0 | 0 | 0 | 112 | S302 Y303 I304 F308 E309 D310 | S302-S306 PolarHBondContact O-N 3.41Å; Y303-S306 PolarHBondContact O-N 3.44Å; Y303-S306 PolarHBondContact O-OG 3Å; I304-S306 PolarHBondContact O-N 3.35Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.35Å; S306-E309 PolarHBondContact O-N 3.08Å; S306-D310 VanDerWaalsContact O-CB 3.24Å; S306-D310 WeakPolarHBondContact O-CB 3.46Å; S306-D310 PolarHBondContact O-N 2.84Å |
| 307 | K | 98.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 60.5 Ų | 60.5 | 22% | 0.222 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -36 | 174.7 | -71.1 | -68.1 | -172 | 169.7 | 0 | 113.2 | M248 F288 E290 Y303 I304 Q305 L311 | M248-K307 HydrophobicContact CE-CB 3.84Å; M248-K307 HydrophobicContact SD-CB 4.41Å; F288-K307 HydrophobicContact CE1-CD 4.5Å; F288-K307 HydrophobicContact CE1-CG 4.22Å; F288-K307 HydrophobicContact CZ-CG 4.49Å; E290-K307 IonicContact OE1-NZ 3.02Å; E290-K307 PolarHBondContact OE1-NZ 2.92Å; Y303-K307 HydrophobicContact CD1-CG 4.2Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.41Å; Y303-K307 HydrophobicContact CE1-CG 3.92Å; Y303-K307 VanDerWaalsContact O-CG 3.31Å; Y303-K307 WeakPolarHBondContact O-CG 3.43Å; Y303-K307 PolarHBondContact O-N 3.45Å; Y303-K307 VanDerWaalsContact O-N 3.11Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 2.8Å; I304-K307 WeakPolarHBondContact O-CB 3.44Å; I304-K307 PolarHBondContact O-N 3.26Å; Q305-K307 VanDerWaalsContact C-N 3.28Å; Q305-K307 PolarHBondContact O-N 2.8Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å |
| 308 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -77.1 | -45.7 | 174.9 | -84 | -91.7 | 0 | 0 | 0 | 112 | V226 M244 M248 F251 L267 L269 I304 Q305 S306 D310 L311 | V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.31Å; V226-F308 HydrophobicContact CG1-CE2 3.81Å; V226-F308 HydrophobicContact CG1-CZ 3.55Å; V226-F308 HydrophobicContact CG2-CD1 4.09Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.3Å; V226-F308 HydrophobicContact CG2-CZ 3.66Å; M244-F308 HydrophobicContact SD-CE2 3.52Å; M244-F308 VanDerWaalsContact SD-CE2 3.52Å; M244-F308 HydrophobicContact SD-CZ 3.78Å; M248-F308 HydrophobicContact CB-CE1 4.43Å; M248-F308 HydrophobicContact CB-CZ 4.36Å; M248-F308 HydrophobicContact CG-CD1 4.42Å; M248-F308 HydrophobicContact CG-CD2 4.25Å; M248-F308 HydrophobicContact CG-CE1 3.86Å; M248-F308 HydrophobicContact CG-CE2 3.67Å; M248-F308 HydrophobicContact CG-CZ 3.44Å; M248-F308 VanDerWaalsContact CG-CZ 3.44Å; F251-F308 HydrophobicContact CB-CD1 3.79Å; F251-F308 HydrophobicContact CB-CE1 3.82Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD2-CD1 4.47Å; F251-F308 HydrophobicContact CE1-CB 4.39Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 VanDerWaalsContact CE1-O 3.26Å; F251-F308 WeakPolarHBondContact CE1-O 3.19Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.24Å; L267-F308 HydrophobicContact CD1-CD1 4.23Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.15Å; L269-F308 HydrophobicContact CD2-CD2 4.37Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.88Å; I304-F308 WeakPolarHBondContact O-CD2 3.37Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.17Å; Q305-F308 PolarHBondContact O-N 3.06Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.35Å; F308-D310 PolarHBondContact O-N 3.33Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.86Å |
| 309 | E | 97.8 | Very high | 96.1 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 27% | 0.271 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -32.7 | -180 | -70.7 | 174.7 | 174.7 | 0 | 0 | 112.2 | Q305 S306 L311 N312 K315 T322 | Q305-E309 HydrophobicContact CG-CG 4.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.48Å; Q305-E309 PolarHBondContact NE2-OE1 3.1Å; Q305-E309 PolarHBondContact O-N 2.94Å; S306-E309 PolarHBondContact O-N 3.08Å; E309-L311 PolarHBondContact O-N 3.38Å; E309-N312 WeakPolarHBondContact O-CB 3.36Å; E309-N312 PolarHBondContact O-N 2.86Å; E309-K315 WeakPolarHBondContact O-CE 3.43Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 3.34Å |
| 310 | D | 97.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 56 Ų | 56 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -17.5 | 175 | -75.6 | -19.9 | 0 | 0 | 0 | 114.2 | S306 F308 N312 K315 | S306-D310 VanDerWaalsContact O-CB 3.24Å; S306-D310 WeakPolarHBondContact O-CB 3.46Å; S306-D310 PolarHBondContact O-N 2.84Å; F308-D310 PolarHBondContact O-N 3.33Å; D310-N312 VanDerWaalsContact C-N 3.28Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 2.96Å |
| 311 | L | 98.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -17.8 | 174.6 | -61.8 | 170 | 0 | 0 | 0 | 112.5 | M248 F251 D252 N256 K307 F308 E309 K313 | M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.17Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.41Å; F251-L311 HydrophobicContact CD1-CB 4.13Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; F251-L311 HydrophobicContact CE1-CB 4.49Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.36Å; D252-L311 HydrophobicContact CB-CD2 4.26Å; N256-L311 PolarHBondContact ND2-O 3.27Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.86Å; E309-L311 PolarHBondContact O-N 3.38Å; L311-K313 PolarHBondContact O-N 3.26Å |
| 312 | N | 97.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | trans | -70.9 | 111.4 | 174.4 | 177.4 | 18.7 | 0 | 0 | 0 | 110.1 | E309 D310 R314 K315 K318 I320 | E309-N312 WeakPolarHBondContact O-CB 3.36Å; E309-N312 PolarHBondContact O-N 2.86Å; D310-N312 VanDerWaalsContact C-N 3.28Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.04Å; N312-R314 PolarHBondContact OD1-N 2.89Å; N312-K315 HydrophobicContact CB-CG 4.49Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å; N312-K318 PolarHBondContact ND2-O 3.09Å; N312-I320 HydrophobicContact CB-CG1 3.99Å | ||
| 313 | K | 96.4 | Very high | 95.7 | Very high | 144 Ų | 144 | 58.4 Ų | 58.4 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -5.6 | -178.6 | -63.5 | 170.9 | 176 | 117.2 | 0 | 113.3 | D252 N256 L311 | D252-K313 IonicContact OD1-NZ 2.78Å; D252-K313 PolarHBondContact OD1-NZ 3.21Å; D252-K313 IonicContact OD2-NZ 2.66Å; D252-K313 PolarHBondContact OD2-NZ 3.45Å; N256-K313 HydrophobicContact CB-CD 4.46Å; N256-K313 PolarHBondContact ND2-NZ 3.32Å; N256-K313 WeakPolarHBondContact OD1-CB 3.2Å; N256-K313 PolarHBondContact OD1-N 3.5Å; L311-K313 PolarHBondContact O-N 3.26Å |
| 314 | R | 93.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 41.3 | -174.3 | -67.1 | 179.1 | -71.6 | -149.5 | 4.1 | 111.6 | C255 N257 N312 D316 T317 K318 | C255-R314 PolarHBondContact O-NH2 3.37Å; N257-R314 PolarHBondContact O-NH2 3.15Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.04Å; N312-R314 PolarHBondContact OD1-N 2.89Å; R314-D316 VanDerWaalsContact C-OD1 3.29Å; R314-D316 PolarHBondContact O-N 2.59Å; R314-D316 VanDerWaalsContact O-N 3.08Å; R314-T317 PolarHBondContact O-N 3.48Å; R314-T317 PolarHBondContact O-OG1 3.43Å; R314-K318 HydrophobicContact CB-CB 3.95Å; R314-K318 WeakPolarHBondContact O-CA 3.47Å; R314-K318 WeakPolarHBondContact O-CB 3.5Å; R314-K318 PolarHBondContact O-N 2.94Å |
| 315 | K | 91.3 | Very high | 95.6 | Very high | 120 Ų | 120 | 58.7 Ų | 58.7 | 52% | 0.522 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.5 | -173.5 | -60.5 | -169.8 | 175.3 | -173.9 | 0 | 114.2 | E309 D310 N312 | E309-K315 WeakPolarHBondContact O-CE 3.43Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 2.96Å; N312-K315 HydrophobicContact CB-CG 4.49Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å |
| 316 | D | 90.4 | Very high | 95.6 | Very high | 141 Ų | 141 | 57 Ų | 57 | 75% | 0.754 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -28 | 178.4 | 60.8 | -42.5 | 0 | 0 | 0 | 113.5 | R314 | R314-D316 VanDerWaalsContact C-OD1 3.29Å; R314-D316 PolarHBondContact O-N 2.59Å; R314-D316 VanDerWaalsContact O-N 3.08Å |
| 317 | T | 90.1 | Very high | 95.6 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 66% | 0.656 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | -14.7 | -173 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | R314 | R314-T317 PolarHBondContact O-N 3.48Å; R314-T317 PolarHBondContact O-OG1 3.43Å |
| 318 | K | 89.9 | Confident | 95.5 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -135.3 | 113.8 | -174.2 | -174.4 | 166.2 | -167.7 | 122 | 0 | 110.6 | F260 T261 T263 N312 R314 | F260-K318 PolarHBondContact O-NZ 2.98Å; T261-K318 PolarHBondContact O-NZ 3.4Å; T263-K318 WeakPolarHBondContact O-CE 3.36Å; T263-K318 PolarHBondContact O-NZ 3.17Å; N312-K318 PolarHBondContact ND2-O 3.09Å; R314-K318 HydrophobicContact CB-CB 3.95Å; R314-K318 WeakPolarHBondContact O-CA 3.47Å; R314-K318 WeakPolarHBondContact O-CB 3.5Å; R314-K318 PolarHBondContact O-N 2.94Å | ||
| 319 | E | 90.6 | Very high | 95.5 | Very high | 124 Ų | 124 | 56.9 Ų | 56.9 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | trans | -87.2 | 141.5 | 173.4 | -169.1 | 171.2 | -159.3 | 0 | 0 | 110.4 | Y321 | E319-Y321 HydrophobicContact CB-CE2 4.37Å; E319-Y321 VanDerWaalsContact CD-CE1 3.45Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 HydrophobicContact CG-CE2 4.47Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.35Å; E319-Y321 PolarHBondContact OE2-OH 3.11Å | ||
| 320 | I | 95.1 | Very high | 95.4 | Very high | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.5 | 171.5 | -57.1 | -59.5 | 0 | 0 | 0 | 107.3 | F251 C255 I265 L267 N312 T322 | F251-I320 HydrophobicContact CZ-CD1 4.25Å; F251-I320 HydrophobicContact CZ-CG1 4.43Å; F251-I320 HydrophobicContact CZ-CG2 4.06Å; C255-I320 HydrophobicContact CB-CD1 4.47Å; I265-I320 HydrophobicContact CB-CD1 3.72Å; I265-I320 HydrophobicContact CD1-CD1 4.31Å; I265-I320 HydrophobicContact CG1-CD1 4.49Å; I265-I320 HydrophobicContact CG2-CD1 3.86Å; L267-I320 HydrophobicContact CB-CG2 3.74Å; L267-I320 HydrophobicContact CD2-CG2 4.44Å; N312-I320 HydrophobicContact CB-CG1 3.99Å; I320-T322 PolarHBondContact O-N 3Å |
| 321 | Y | 95 | Very high | 95.4 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 104.1 | 179.9 | -60.7 | -78.4 | 0 | 0 | 0 | 110.1 | I265 I266 L267 E319 V343 | I265-Y321 PolarHBondContact O-N 3.39Å; I266-Y321 CarbonylContact C-O 3.54Å; I266-Y321 VanDerWaalsContact CA-O 3.3Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; I266-Y321 WeakPolarHBondContact CG2-O 3.21Å; L267-Y321 PolarHBondContact N-O 3.3Å; E319-Y321 HydrophobicContact CB-CE2 4.37Å; E319-Y321 VanDerWaalsContact CD-CE1 3.45Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 HydrophobicContact CG-CE2 4.47Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.35Å; E319-Y321 PolarHBondContact OE2-OH 3.11Å; Y321-V343 HydrophobicContact CD1-CG1 4.1Å; Y321-V343 HydrophobicContact CD1-CG2 4.16Å; Y321-V343 HydrophobicContact CD2-CG1 3.69Å; Y321-V343 HydrophobicContact CE1-CG1 3.86Å; Y321-V343 HydrophobicContact CE1-CG2 4.22Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.04Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.49Å |
| 322 | T | 97.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.2 | -174.8 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | L267 L269 Q305 E309 I320 | L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 3.96Å; L267-T322 HydrophobicContact CG-CG2 4.19Å; L267-T322 CarbonylContact O-C 3.39Å; L267-T322 WeakPolarHBondContact O-CA 3.41Å; L269-T322 HydrophobicContact CD1-CG2 3.56Å; L269-T322 HydrophobicContact CG-CG2 3.87Å; Q305-T322 HydrophobicContact CG-CG2 3.97Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 3.34Å; I320-T322 PolarHBondContact O-N 3Å |
| 323 | H | 97.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.9 | 175.1 | -64.6 | -86.9 | 0 | 0 | 0 | 112 | L267 F268 L269 T325 V336 | L267-H323 PolarHBondContact O-N 2.88Å; F268-H323 HydrophobicContact CD1-CB 4.19Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; L269-H323 PolarHBondContact N-O 3.32Å; H323-T325 HydrophobicContact CB-CG2 4.38Å; H323-V336 HydrophobicContact CB-CG1 3.58Å; H323-V336 HydrophobicContact CB-CG2 4.23Å |
| 324 | F | 98.2 | Very high | 95.3 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 23% | 0.232 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 120.5 | 168.5 | -66.8 | -78.4 | 0 | 0 | 0 | 110.4 | L228 L269 K272 A301 Q305 | L228-F324 HydrophobicContact CD1-CD1 3.8Å; L228-F324 HydrophobicContact CD1-CE1 4.06Å; L269-F324 HydrophobicContact CB-CD1 3.78Å; L269-F324 HydrophobicContact CB-CE1 3.95Å; L269-F324 HydrophobicContact CD1-CD1 4.08Å; L269-F324 HydrophobicContact CD1-CE1 3.43Å; L269-F324 VanDerWaalsContact CD1-CE1 3.43Å; L269-F324 HydrophobicContact CD1-CZ 3.74Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.48Å; K272-F324 HydrophobicContact CD-CB 4.11Å; A301-F324 HydrophobicContact CB-CD1 4.43Å; A301-F324 HydrophobicContact CB-CE1 3.64Å; A301-F324 HydrophobicContact CB-CZ 4Å; Q305-F324 HydrophobicContact CB-CZ 4.12Å; Q305-F324 VanDerWaalsContact OE1-CZ 3.27Å |
| 325 | T | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -123.6 | 150.3 | -172 | 48.2 | 0 | 0 | 0 | 0 | 112.9 | F268 L269 N270 K271 K272 H323 N332 V336 | F268-T325 HydrophobicContact CB-CG2 4.44Å; F268-T325 HydrophobicContact CD1-CG2 4.17Å; F268-T325 HydrophobicContact CD2-CG2 4.09Å; F268-T325 HydrophobicContact CE1-CG2 4.44Å; F268-T325 HydrophobicContact CE2-CG2 4.39Å; F268-T325 HydrophobicContact CG-CG2 3.99Å; L269-T325 PolarHBondContact O-N 3.42Å; N270-T325 CarbonylContact C-O 3.48Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.45Å; N270-T325 WeakPolarHBondContact CA-OG1 3.44Å; N270-T325 VanDerWaalsContact CB-OG1 3.32Å; N270-T325 WeakPolarHBondContact CB-OG1 3.43Å; N270-T325 PolarHBondContact OD1-O 2.94Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; K271-T325 PolarHBondContact N-O 2.97Å; K272-T325 WeakPolarHBondContact CG-O 3.37Å; K272-T325 PolarHBondContact N-O 3.43Å; K272-T325 VanDerWaalsContact N-O 3.17Å; H323-T325 HydrophobicContact CB-CG2 4.38Å; T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.36Å; T325-V336 HydrophobicContact CG2-CB 4.19Å; T325-V336 HydrophobicContact CG2-CG1 3.83Å; T325-V336 HydrophobicContact CG2-CG2 3.99Å | ||
| 326 | C | 98 | Very high | 95.6 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | trans | -123.4 | 98.5 | 160.8 | 175.1 | 0 | 0 | 0 | 0 | 106.5 | K272 D273 T328 D329 N332 | K272-C326 HydrophobicContact CG-CB 4.25Å; D273-C326 VanDerWaalsContact CG-SG 3.55Å; C326-T328 PolarHBondContact O-N 3.39Å; C326-T328 PolarHBondContact SG-OG1 2.67Å; C326-D329 HydrophobicContact CB-CB 3.98Å; C326-D329 PolarHBondContact O-N 3.1Å; C326-N332 PolarHBondContact N-OD1 3.4Å | ||
| 327 | A | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T48 I49 Q52 N270 | T48-A327 HydrophobicContact CG2-CB 3.67Å; T48-A327 WeakPolarHBondContact CG2-O 3.22Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.26Å; Q52-A327 VanDerWaalsContact CG-O 3.22Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 2.77Å; N270-A327 WeakPolarHBondContact OD1-CB 3.15Å; N270-A327 PolarHBondContact OD1-N 3.13Å |
| 328 | T | 96.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 1.5 | 176.4 | 52 | 0 | 0 | 0 | 0 | 113.7 | T48 Q173 L176 R177 C326 | T48-T328 HydrophobicContact CG2-CG2 4.06Å; Q173-T328 PolarHBondContact NE2-O 2.72Å; Q173-T328 PolarHBondContact OE1-O 3.44Å; L176-T328 HydrophobicContact CB-CG2 4.47Å; R177-T328 HydrophobicContact CG-CG2 4.47Å; R177-T328 VanDerWaalsContact CZ-OG1 3.28Å; R177-T328 PolarHBondContact NH2-OG1 2.96Å; C326-T328 PolarHBondContact O-N 3.39Å; C326-T328 PolarHBondContact SG-OG1 2.67Å |
| 329 | D | 97.8 | Very high | 96 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | trans | -105.6 | 104.1 | 171.2 | 176 | -7.6 | 0 | 0 | 0 | 109 | C326 K331 N332 V333 | C326-D329 HydrophobicContact CB-CB 3.98Å; C326-D329 PolarHBondContact O-N 3.1Å; D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.99Å; D329-K331 WeakPolarHBondContact OD1-CB 3.44Å; D329-K331 PolarHBondContact OD1-N 3.09Å; D329-N332 HydrophobicContact CB-CB 3.9Å; D329-N332 PolarHBondContact O-N 2.95Å; D329-N332 PolarHBondContact OD1-N 2.99Å; D329-N332 VanDerWaalsContact OD1-N 3.17Å; D329-V333 WeakPolarHBondContact O-CG2 3.41Å; D329-V333 PolarHBondContact O-N 3.48Å | ||
| 330 | T | 97.4 | Very high | 96 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.4 | -35.7 | -177.8 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | Q52 I55 I56 V333 Q334 | Q52-T330 PolarHBondContact NE2-OG1 3.12Å; Q52-T330 PolarHBondContact OE1-OG1 3.21Å; I55-T330 HydrophobicContact CG2-CG2 3.97Å; I56-T330 HydrophobicContact CD1-CG2 4.25Å; I56-T330 HydrophobicContact CG1-CG2 3.76Å; T330-V333 PolarHBondContact O-N 3.21Å; T330-Q334 VanDerWaalsContact O-CB 3.27Å; T330-Q334 WeakPolarHBondContact O-CB 3.41Å; T330-Q334 PolarHBondContact O-N 2.71Å |
| 331 | K | 97.1 | Very high | 95.8 | Very high | 170 Ų | 170 | 40.5 Ų | 40.5 | 74% | 0.739 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -69 | -42.7 | 178.9 | -67.2 | -178.5 | 180 | 177.5 | 0 | 110.9 | D329 Q334 F335 | D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.99Å; D329-K331 WeakPolarHBondContact OD1-CB 3.44Å; D329-K331 PolarHBondContact OD1-N 3.09Å; K331-Q334 PolarHBondContact O-N 2.89Å; K331-F335 WeakPolarHBondContact O-CB 3.45Å; K331-F335 PolarHBondContact O-N 2.69Å |
| 332 | N | 97.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 42 Ų | 42 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.4 | 176.9 | -104.7 | 0 | 0 | 0 | 111.5 | T325 C326 D329 F335 V336 | T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.36Å; C326-N332 PolarHBondContact N-OD1 3.4Å; D329-N332 HydrophobicContact CB-CB 3.9Å; D329-N332 PolarHBondContact O-N 2.95Å; D329-N332 PolarHBondContact OD1-N 2.99Å; D329-N332 VanDerWaalsContact OD1-N 3.17Å; N332-F335 PolarHBondContact O-N 3.03Å; N332-V336 WeakPolarHBondContact O-CB 3.37Å; N332-V336 WeakPolarHBondContact O-CG2 3.27Å; N332-V336 PolarHBondContact O-N 3.24Å |
| 333 | V | 97 | Very high | 95 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | I49 Q52 M53 I56 D329 T330 F335 V336 F337 | I49-V333 HydrophobicContact CD1-CG1 4.25Å; I49-V333 HydrophobicContact CD1-CG2 4.04Å; Q52-V333 HydrophobicContact CB-CB 4.37Å; Q52-V333 HydrophobicContact CB-CG1 3.75Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.16Å; Q52-V333 HydrophobicContact CG-CG2 4.12Å; M53-V333 HydrophobicContact CE-CG1 3.8Å; I56-V333 HydrophobicContact CD1-CB 4.18Å; I56-V333 HydrophobicContact CD1-CG1 3.87Å; D329-V333 WeakPolarHBondContact O-CG2 3.41Å; D329-V333 PolarHBondContact O-N 3.48Å; T330-V333 PolarHBondContact O-N 3.21Å; V333-F335 PolarHBondContact O-N 3.05Å; V333-V336 PolarHBondContact O-N 3.42Å; V333-F337 WeakPolarHBondContact O-CB 3.21Å; V333-F337 PolarHBondContact O-N 3.02Å |
| 334 | Q | 95.9 | Very high | 94.4 | Very high | 106 Ų | 106 | 40.1 Ų | 40.1 | 50% | 0.495 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.4 | -48 | 176.6 | -174.1 | 174.7 | 22.7 | 0 | 0 | 111.7 | I56 T330 K331 F337 D338 | I56-Q334 HydrophobicContact CD1-CB 3.96Å; I56-Q334 HydrophobicContact CG1-CB 4.43Å; I56-Q334 HydrophobicContact CG2-CB 4.25Å; I56-Q334 HydrophobicContact CG2-CG 3.88Å; T330-Q334 VanDerWaalsContact O-CB 3.27Å; T330-Q334 WeakPolarHBondContact O-CB 3.41Å; T330-Q334 PolarHBondContact O-N 2.71Å; K331-Q334 PolarHBondContact O-N 2.89Å; Q334-F337 PolarHBondContact O-N 3Å; Q334-D338 WeakPolarHBondContact O-CB 3.39Å; Q334-D338 PolarHBondContact O-N 2.99Å |
| 335 | F | 95.7 | Very high | 93.8 | Very high | 146 Ų | 146 | 39.8 Ų | 39.8 | 64% | 0.64 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.4 | -46.5 | 178 | 174.6 | -97.2 | 0 | 0 | 0 | 112.5 | K331 N332 V333 D338 A339 | K331-F335 WeakPolarHBondContact O-CB 3.45Å; K331-F335 PolarHBondContact O-N 2.69Å; N332-F335 PolarHBondContact O-N 3.03Å; V333-F335 PolarHBondContact O-N 3.05Å; F335-D338 PolarHBondContact O-N 3.4Å; F335-A339 PolarHBondContact O-N 3.21Å |
| 336 | V | 94.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | -179.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | F268 H323 T325 N332 V333 D338 A339 V340 | F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.42Å; F268-V336 VanDerWaalsContact CE1-CG1 3.42Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.56Å; H323-V336 HydrophobicContact CB-CG1 3.58Å; H323-V336 HydrophobicContact CB-CG2 4.23Å; T325-V336 HydrophobicContact CG2-CB 4.19Å; T325-V336 HydrophobicContact CG2-CG1 3.83Å; T325-V336 HydrophobicContact CG2-CG2 3.99Å; N332-V336 WeakPolarHBondContact O-CB 3.37Å; N332-V336 WeakPolarHBondContact O-CG2 3.27Å; N332-V336 PolarHBondContact O-N 3.24Å; V333-V336 PolarHBondContact O-N 3.42Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.45Å; V336-A339 PolarHBondContact O-N 2.67Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.43Å |
| 337 | F | 93.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -34.1 | -179.8 | -164.2 | -95.1 | 0 | 0 | 0 | 112.4 | L36 M53 H57 F190 F192 F197 M199 I223 V333 Q334 V340 T341 | L36-F337 HydrophobicContact CD1-CE2 3.75Å; L36-F337 HydrophobicContact CD1-CZ 3.73Å; M53-F337 HydrophobicContact CE-CB 4.32Å; M53-F337 HydrophobicContact CE-CD1 4.45Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CE2 4.48Å; M53-F337 HydrophobicContact CE-CG 3.98Å; M53-F337 HydrophobicContact SD-CD1 4.02Å; M53-F337 HydrophobicContact SD-CD2 3.74Å; M53-F337 HydrophobicContact SD-CE1 3.95Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 3.94Å; M53-F337 HydrophobicContact SD-CZ 3.77Å; H57-F337 AromaticContact NE2-CD1 3.87Å; F190-F337 AromaticContact CE2-CE1 3.74Å; F190-F337 HydrophobicContact CE2-CE1 3.74Å; F190-F337 AromaticContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CZ-CE1 4.04Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.57Å; F190-F337 HydrophobicContact CZ-CZ 3.57Å; F192-F337 HydrophobicContact CD1-CD1 4.19Å; F192-F337 AromaticContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CE1-CD1 4.24Å; F192-F337 HydrophobicContact CE1-CE1 4.45Å; F197-F337 HydrophobicContact CD1-CZ 4.2Å; F197-F337 HydrophobicContact CE1-CE1 4.43Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.39Å; M199-F337 HydrophobicContact CE-CE2 3.9Å; M199-F337 HydrophobicContact CE-CZ 4.37Å; I223-F337 HydrophobicContact CD1-CE2 4.32Å; V333-F337 WeakPolarHBondContact O-CB 3.21Å; V333-F337 PolarHBondContact O-N 3.02Å; Q334-F337 PolarHBondContact O-N 3Å; F337-V340 PolarHBondContact O-N 2.68Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.42Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.42Å; F337-T341 PolarHBondContact O-OG1 3.17Å |
| 338 | D | 93.9 | Very high | 91.2 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -48.8 | 172.4 | -168 | 43.4 | 0 | 0 | 0 | 111.6 | F192 K193 Q334 F335 V336 V340 T341 D342 | F192-D338 WeakPolarHBondContact CZ-OD1 3.48Å; K193-D338 WeakPolarHBondContact CE-OD1 3.18Å; K193-D338 IonicContact NZ-OD1 3.53Å; K193-D338 PolarHBondContact NZ-OD1 2.93Å; K193-D338 IonicContact NZ-OD2 2.87Å; Q334-D338 WeakPolarHBondContact O-CB 3.39Å; Q334-D338 PolarHBondContact O-N 2.99Å; F335-D338 PolarHBondContact O-N 3.4Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.45Å; D338-V340 PolarHBondContact O-N 3.27Å; D338-T341 WeakPolarHBondContact O-CB 3.26Å; D338-T341 PolarHBondContact O-N 2.76Å; D338-D342 PolarHBondContact O-N 3.35Å |
| 339 | A | 91.7 | Very high | 90 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F335 V336 T341 D342 V343 | F335-A339 PolarHBondContact O-N 3.21Å; V336-A339 PolarHBondContact O-N 2.67Å; A339-T341 VanDerWaalsContact C-N 3.34Å; A339-D342 PolarHBondContact O-N 3.12Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.4Å |
| 340 | V | 90.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.6 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | I266 F268 V336 F337 D338 D342 V343 I344 | I266-V340 HydrophobicContact CB-CG2 4.5Å; I266-V340 HydrophobicContact CD1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG1 3.86Å; I266-V340 HydrophobicContact CG1-CG2 4.19Å; I266-V340 HydrophobicContact CG2-CG2 3.61Å; F268-V340 HydrophobicContact CE1-CG2 3.92Å; F268-V340 HydrophobicContact CZ-CG2 4.22Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.43Å; F337-V340 PolarHBondContact O-N 2.68Å; D338-V340 PolarHBondContact O-N 3.27Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.33Å; V340-V343 PolarHBondContact O-N 3.26Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CG1 3.36Å; V340-I344 PolarHBondContact O-N 3.19Å |
| 341 | T | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 179 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | F192 K193 L195 F197 F337 D338 A339 V343 I344 I345 | F192-T341 HydrophobicContact CD1-CG2 3.85Å; F192-T341 HydrophobicContact CE1-CG2 3.81Å; F192-T341 WeakPolarHBondContact CE1-OG1 3.43Å; K193-T341 HydrophobicContact CD-CG2 3.92Å; L195-T341 HydrophobicContact CD1-CG2 4.36Å; F197-T341 HydrophobicContact CZ-CG2 3.93Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.42Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.42Å; F337-T341 PolarHBondContact O-OG1 3.17Å; D338-T341 WeakPolarHBondContact O-CB 3.26Å; D338-T341 PolarHBondContact O-N 2.76Å; A339-T341 VanDerWaalsContact C-N 3.34Å; T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 3.25Å; T341-I344 PolarHBondContact O-N 3.21Å; T341-I345 HydrophobicContact CG2-CD1 3.73Å; T341-I345 HydrophobicContact CG2-CG1 4.3Å; T341-I345 WeakPolarHBondContact O-CB 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.31Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.69Å |
| 342 | D | 89 | Confident | 85.8 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 176.8 | -72.6 | -16.3 | 0 | 0 | 0 | 112.4 | K193 D338 A339 V340 K346 | K193-D342 IonicContact NZ-OD1 3.93Å; K193-D342 PolarHBondContact NZ-OD1 2.85Å; K193-D342 IonicContact NZ-OD2 3.5Å; D338-D342 PolarHBondContact O-N 3.35Å; A339-D342 PolarHBondContact O-N 3.12Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.33Å; D342-K346 VanDerWaalsContact O-CB 3.29Å; D342-K346 WeakPolarHBondContact O-CB 3.47Å; D342-K346 PolarHBondContact O-N 2.8Å |
| 343 | V | 85.5 | Confident | 83.8 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 173.7 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | Y321 A339 V340 T341 K346 N347 | Y321-V343 HydrophobicContact CD1-CG1 4.1Å; Y321-V343 HydrophobicContact CD1-CG2 4.16Å; Y321-V343 HydrophobicContact CD2-CG1 3.69Å; Y321-V343 HydrophobicContact CE1-CG1 3.86Å; Y321-V343 HydrophobicContact CE1-CG2 4.22Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.04Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.49Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.4Å; V340-V343 PolarHBondContact O-N 3.26Å; T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 3.25Å; V343-K346 PolarHBondContact O-N 3.18Å; V343-N347 PolarHBondContact O-N 3.2Å |
| 344 | I | 86.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 178.7 | -68 | 165.2 | 0 | 0 | 0 | 110.6 | V34 L36 T220 A221 V340 T341 K346 N347 N348 | V34-I344 HydrophobicContact CG1-CG2 3.99Å; V34-I344 HydrophobicContact CG2-CG2 4.27Å; L36-I344 HydrophobicContact CD2-CD1 3.74Å; T220-I344 HydrophobicContact CG2-CG2 3.95Å; A221-I344 HydrophobicContact CB-CD1 3.92Å; A221-I344 HydrophobicContact CB-CG1 3.97Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CG1 3.36Å; V340-I344 PolarHBondContact O-N 3.19Å; T341-I344 PolarHBondContact O-N 3.21Å; I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.3Å; I344-N347 PolarHBondContact O-N 2.93Å; I344-N348 WeakPolarHBondContact O-CB 3.29Å; I344-N348 PolarHBondContact O-N 2.96Å |
| 345 | I | 85.2 | Confident | 79.3 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 176.9 | -72 | 166.7 | 0 | 0 | 0 | 110.2 | K193 L195 T341 N347 N348 L349 | K193-I345 HydrophobicContact CD-CD1 4.32Å; L195-I345 HydrophobicContact CD1-CD1 3.9Å; L195-I345 HydrophobicContact CD1-CG1 3.57Å; T341-I345 HydrophobicContact CG2-CD1 3.73Å; T341-I345 HydrophobicContact CG2-CG1 4.3Å; T341-I345 WeakPolarHBondContact O-CB 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.31Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.69Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3.03Å; I345-N348 PolarHBondContact O-N 3.33Å; I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.28Å; I345-L349 WeakPolarHBondContact O-CB 3.44Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.45Å |
| 346 | K | 83 | Confident | 78.5 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 179.7 | -176.3 | -178.6 | -179.9 | -176.5 | 0 | 112.2 | D342 V343 I344 K350 | D342-K346 VanDerWaalsContact O-CB 3.29Å; D342-K346 WeakPolarHBondContact O-CB 3.47Å; D342-K346 PolarHBondContact O-N 2.8Å; V343-K346 PolarHBondContact O-N 3.18Å; I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.3Å; K346-K350 WeakPolarHBondContact O-CG 3.3Å; K346-K350 PolarHBondContact O-N 3.26Å |
| 347 | N | 79.7 | Confident | 77.6 | Confident | 26 Ų | 26 | 63.5 Ų | 63.5 | 14% | 0.139 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.5 | -43.9 | 179.3 | -70.8 | -13.5 | 0 | 0 | 0 | 111.7 | S264 V343 I344 I345 L349 K350 D351 | S264-N347 PolarHBondContact OG-ND2 3.47Å; V343-N347 PolarHBondContact O-N 3.2Å; I344-N347 PolarHBondContact O-N 2.93Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3.03Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.88Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 2.76Å; N347-K350 VanDerWaalsContact O-N 3.16Å; N347-D351 PolarHBondContact O-N 2.96Å |
| 348 | N | 75.4 | Confident | 76.8 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 175 | -78.2 | -19 | 0 | 0 | 0 | 112.6 | T220 I344 I345 D351 C352 | T220-N348 WeakPolarHBondContact CG2-OD1 3.36Å; I344-N348 WeakPolarHBondContact O-CB 3.29Å; I344-N348 PolarHBondContact O-N 2.96Å; I345-N348 PolarHBondContact O-N 3.33Å; N348-D351 PolarHBondContact O-N 3.4Å; N348-C352 PolarHBondContact O-N 3.01Å; N348-C352 VanDerWaalsContact O-N 3.12Å; N348-C352 PolarHBondContact O-SG 2.9Å |
| 349 | L | 72.7 | Confident | 75.8 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 177.5 | -72.3 | 174.4 | 0 | 0 | 0 | 112.9 | I345 N347 C352 G353 L354 | I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.28Å; I345-L349 WeakPolarHBondContact O-CB 3.44Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.45Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.88Å; L349-C352 PolarHBondContact O-N 3.42Å; L349-G353 PolarHBondContact O-N 2.66Å; L349-L354 HydrophobicContact CD2-CB 4.45Å; L349-L354 HydrophobicContact CD2-CD1 4Å; L349-L354 PolarHBondContact O-N 2.96Å; L349-L354 VanDerWaalsContact O-N 3.09Å |
| 350 | K | 71.1 | Confident | 74.8 | Confident | 102 Ų | 102 | 69.8 Ų | 69.8 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 173.1 | -75.1 | 172.6 | 176.8 | -179.2 | 0 | 111.3 | K346 N347 C352 G353 F355 | K346-K350 WeakPolarHBondContact O-CG 3.3Å; K346-K350 PolarHBondContact O-N 3.26Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 2.76Å; N347-K350 VanDerWaalsContact O-N 3.16Å; K350-C352 PolarHBondContact O-N 2.71Å; K350-G353 PolarHBondContact O-N 2.89Å; K350-F355 HydrophobicContact CG-CB 4.12Å |
| 351 | D | 68.8 | Low | 73.7 | Confident | 135 Ų | 135 | 74.3 Ų | 74.3 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.9 | -29.5 | 179.8 | -66.5 | -17.7 | 0 | 0 | 0 | 112 | N347 N348 G353 | N347-D351 PolarHBondContact O-N 2.96Å; N348-D351 PolarHBondContact O-N 3.4Å; D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.02Å |
| 352 | C | 64.6 | Low | 72.4 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 57% | 0.568 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3 | 173.6 | -63.8 | 0 | 0 | 0 | 0 | 114.3 | N348 L349 K350 L354 | N348-C352 PolarHBondContact O-N 3.01Å; N348-C352 VanDerWaalsContact O-N 3.12Å; N348-C352 PolarHBondContact O-SG 2.9Å; L349-C352 PolarHBondContact O-N 3.42Å; K350-C352 PolarHBondContact O-N 2.71Å; C352-L354 VanDerWaalsContact C-N 3.33Å; C352-L354 HydrophobicContact CB-CD1 4.14Å; C352-L354 HydrophobicContact CB-CG 4.27Å; C352-L354 PolarHBondContact O-N 3.1Å |
| 353 | G | 55.3 | Low | 71.2 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 23 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L349 K350 D351 | L349-G353 PolarHBondContact O-N 2.66Å; K350-G353 PolarHBondContact O-N 2.89Å; D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.02Å |
| 354 | L | 53.8 | Low | 70 | Confident | 131 Ų | 131 | 83.9 Ų | 83.9 | 69% | 0.686 | 45% | 0.448 | S | S | * | . | trans | -95.3 | 10.6 | -178.7 | -68.6 | 170.9 | 0 | 0 | 0 | 113.6 | L349 C352 | L349-L354 HydrophobicContact CD2-CB 4.45Å; L349-L354 HydrophobicContact CD2-CD1 4Å; L349-L354 PolarHBondContact O-N 2.96Å; L349-L354 VanDerWaalsContact O-N 3.09Å; C352-L354 VanDerWaalsContact C-N 3.33Å; C352-L354 HydrophobicContact CB-CD1 4.14Å; C352-L354 HydrophobicContact CB-CG 4.27Å; C352-L354 PolarHBondContact O-N 3.1Å | ||
| 355 | F | 43.3 | Very low | 68.4 | Low | 197 Ų | 197 | 91.4 Ų | 91.4 | 86% | 0.864 | 49% | 0.488 | S | S | * | . | trans | -125.8 | 0 | -177.2 | -145.2 | -83.7 | 0 | 0 | 0 | 113.3 | K350 | K350-F355 HydrophobicContact CG-CB 4.12Š|
Retrieved 355 of 355 residues in 2282.8 ms
(Link to these results)