| 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 | 33.8 | Very low | 48.5 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 97% | 0.966 | 64% | 0.638 | S | S | * | * | 0 | -66.2 | 0 | -86.8 | -175.2 | 77.4 | 0 | 0 | 113 | N3 Q4 L5 | M1-N3 PolarHBondContact O-N 2.94Å; M1-Q4 PolarHBondContact O-N 3.03Å; M1-L5 PolarHBondContact O-N 3.17Å | |||
| 2 | V | 47.8 | Very low | 48.3 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.6 | -47.6 | -177.3 | 178.5 | 0 | 0 | 0 | 0 | 113.4 | Q4 L5 Y6 | V2-Q4 VanDerWaalsContact C-N 3.32Å; V2-Q4 PolarHBondContact O-N 2.65Å; V2-L5 WeakPolarHBondContact O-CB 3.23Å; V2-L5 PolarHBondContact O-N 3.04Å; V2-L5 VanDerWaalsContact O-N 3.1Å; V2-Y6 PolarHBondContact O-N 3.48Å |
| 3 | N | 46 | Very low | 48.1 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.1 | -33.9 | 178.2 | -69 | -4.9 | 0 | 0 | 0 | 113.4 | M1 L5 Y6 D7 | M1-N3 PolarHBondContact O-N 2.94Å; N3-L5 VanDerWaalsContact C-N 3.26Å; N3-L5 PolarHBondContact O-N 3.18Å; N3-Y6 PolarHBondContact O-N 2.89Å; N3-D7 PolarHBondContact O-N 3.2Å |
| 4 | Q | 48.2 | Very low | 48.7 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 67% | 0.668 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.5 | -30 | 174.7 | -86.3 | 172.2 | -36.1 | 0 | 0 | 112.3 | M1 V2 | M1-Q4 PolarHBondContact O-N 3.03Å; V2-Q4 VanDerWaalsContact C-N 3.32Å; V2-Q4 PolarHBondContact O-N 2.65Å |
| 5 | L | 44 | Very low | 48.9 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 67% | 0.665 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.8 | -37.1 | 175.9 | -156.6 | 84 | 0 | 0 | 0 | 111.9 | M1 V2 N3 L9 | M1-L5 PolarHBondContact O-N 3.17Å; V2-L5 WeakPolarHBondContact O-CB 3.23Å; V2-L5 PolarHBondContact O-N 3.04Å; V2-L5 VanDerWaalsContact O-N 3.1Å; N3-L5 VanDerWaalsContact C-N 3.26Å; N3-L5 PolarHBondContact O-N 3.18Å; L5-L9 PolarHBondContact O-N 2.9Å |
| 6 | Y | 54 | Low | 48.7 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.3 | -44.2 | 178 | -177.4 | -93.7 | 0 | 0 | 0 | 112.4 | V2 N3 E8 L9 V10 | V2-Y6 PolarHBondContact O-N 3.48Å; N3-Y6 PolarHBondContact O-N 2.89Å; Y6-E8 VanDerWaalsContact C-N 3.3Å; Y6-E8 PolarHBondContact O-N 2.72Å; Y6-L9 PolarHBondContact O-N 3.02Å; Y6-V10 HydrophobicContact CD1-CG2 4.17Å; Y6-V10 HydrophobicContact CE1-CG2 3.7Å; Y6-V10 PolarHBondContact O-N 3.16Å |
| 7 | D | 55.5 | Low | 48.7 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.2 | -31.9 | -179.4 | -71.4 | -21.3 | 0 | 0 | 0 | 112.9 | N3 K11 | N3-D7 PolarHBondContact O-N 3.2Å; D7-K11 PolarHBondContact O-N 3.03Å |
| 8 | E | 53.5 | Low | 49 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.2 | -37.8 | 173.9 | -77.9 | -72.4 | 141 | 0 | 0 | 112.2 | Y6 A12 | Y6-E8 VanDerWaalsContact C-N 3.3Å; Y6-E8 PolarHBondContact O-N 2.72Å; E8-A12 PolarHBondContact O-N 2.02Å |
| 9 | L | 42.3 | Very low | 48.8 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.5 | -46.9 | 177.4 | -92.3 | 158.3 | 0 | 0 | 0 | 112.6 | L5 Y6 K11 A12 E13 | L5-L9 PolarHBondContact O-N 2.9Å; Y6-L9 PolarHBondContact O-N 3.02Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 3.15Å; L9-A12 WeakPolarHBondContact O-CB 2.97Å; L9-A12 PolarHBondContact O-N 3.09Å; L9-A12 VanDerWaalsContact O-N 3.15Å; L9-E13 PolarHBondContact O-N 3.24Å |
| 10 | V | 55.1 | Low | 48.6 | Very low | 54 Ų | 54 | 114.8 Ų | 114.8 | 33% | 0.327 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.8 | -37.9 | -179.7 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | Y6 A12 E13 I14 | Y6-V10 HydrophobicContact CD1-CG2 4.17Å; Y6-V10 HydrophobicContact CE1-CG2 3.7Å; Y6-V10 PolarHBondContact O-N 3.16Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.87Å; V10-E13 PolarHBondContact O-N 3.41Å; V10-I14 HydrophobicContact CG1-CD1 4.31Å; V10-I14 PolarHBondContact O-N 3.25Å |
| 11 | K | 53.6 | Low | 48.7 | Very low | 139 Ų | 139 | 115.3 Ų | 115.3 | 60% | 0.604 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63 | -37.3 | 175.7 | -83.6 | 179.7 | 178.5 | 171.1 | 0 | 113.1 | D7 L9 E13 N15 | D7-K11 PolarHBondContact O-N 3.03Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 3.15Å; K11-E13 VanDerWaalsContact C-N 3.31Å; K11-E13 PolarHBondContact O-N 2.97Å; K11-N15 PolarHBondContact O-N 3.46Å |
| 12 | A | 46.4 | Very low | 49.5 | Very low | 56 Ų | 56 | 110.8 Ų | 110.8 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.1 | -34.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E8 L9 V10 T16 | E8-A12 PolarHBondContact O-N 2.02Å; L9-A12 WeakPolarHBondContact O-CB 2.97Å; L9-A12 PolarHBondContact O-N 3.09Å; L9-A12 VanDerWaalsContact O-N 3.15Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.87Å; A12-T16 PolarHBondContact O-N 3.49Å; A12-T16 PolarHBondContact O-OG1 3.03Å |
| 13 | E | 45.3 | Very low | 49.2 | Very low | 146 Ų | 146 | 106.3 Ų | 106.3 | 68% | 0.682 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.5 | -43.8 | -178 | -164.2 | 163.3 | -170.1 | 0 | 0 | 112.8 | L9 V10 K11 N15 T16 H17 | L9-E13 PolarHBondContact O-N 3.24Å; V10-E13 PolarHBondContact O-N 3.41Å; K11-E13 VanDerWaalsContact C-N 3.31Å; K11-E13 PolarHBondContact O-N 2.97Å; E13-N15 VanDerWaalsContact C-N 3.28Å; E13-N15 PolarHBondContact O-N 3.38Å; E13-T16 PolarHBondContact O-N 2.94Å; E13-H17 PolarHBondContact O-N 3.01Å; E13-H17 VanDerWaalsContact O-N 3.16Å |
| 14 | I | 56.9 | Low | 49.2 | Very low | 103 Ų | 103 | 103 Ų | 103 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 174.9 | -66.6 | 173 | 0 | 0 | 0 | 110.6 | V10 T16 H17 E18 | V10-I14 HydrophobicContact CG1-CD1 4.31Å; V10-I14 PolarHBondContact O-N 3.25Å; I14-T16 VanDerWaalsContact C-N 3.26Å; I14-T16 PolarHBondContact O-N 3.37Å; I14-H17 PolarHBondContact O-N 2.99Å; I14-E18 PolarHBondContact O-N 3.46Å |
| 15 | N | 51.4 | Low | 49.3 | Very low | 108 Ų | 108 | 103.2 Ų | 103.2 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.9 | -32.4 | 177.4 | -106.8 | -7.9 | 0 | 0 | 0 | 113.1 | K11 E13 | K11-N15 PolarHBondContact O-N 3.46Å; E13-N15 VanDerWaalsContact C-N 3.28Å; E13-N15 PolarHBondContact O-N 3.38Å |
| 16 | T | 45.6 | Very low | 49.1 | Very low | 79 Ų | 79 | 101.2 Ų | 101.2 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -76.7 | -40.4 | -177.9 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | A12 E13 I14 E18 Q19 L20 | A12-T16 PolarHBondContact O-N 3.49Å; A12-T16 PolarHBondContact O-OG1 3.03Å; E13-T16 PolarHBondContact O-N 2.94Å; I14-T16 VanDerWaalsContact C-N 3.26Å; I14-T16 PolarHBondContact O-N 3.37Å; T16-E18 PolarHBondContact O-N 3.49Å; T16-Q19 PolarHBondContact O-N 3.27Å; T16-L20 PolarHBondContact O-N 2.95Å |
| 17 | H | 48.3 | Very low | 48.6 | Very low | 109 Ų | 109 | 94.9 Ų | 94.9 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178.8 | -172 | 79.7 | 0 | 0 | 0 | 112.5 | E13 I14 Q19 L20 Q21 | E13-H17 PolarHBondContact O-N 3.01Å; E13-H17 VanDerWaalsContact O-N 3.16Å; I14-H17 PolarHBondContact O-N 2.99Å; H17-Q19 VanDerWaalsContact C-N 3.32Å; H17-Q19 PolarHBondContact O-N 2.69Å; H17-L20 WeakPolarHBondContact O-CB 3.04Å; H17-L20 PolarHBondContact O-N 3.32Å; H17-Q21 PolarHBondContact NE2-NE2 2.95Å; H17-Q21 PolarHBondContact O-N 2.76Å |
| 18 | E | 54.4 | Low | 48 | Very low | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | 176.7 | -72.6 | -173.3 | 161.1 | 0 | 0 | 112 | I14 T16 L20 I22 | I14-E18 PolarHBondContact O-N 3.46Å; T16-E18 PolarHBondContact O-N 3.49Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 3.5Å; E18-I22 WeakPolarHBondContact O-CD1 3.46Å; E18-I22 WeakPolarHBondContact O-CG1 3.37Å; E18-I22 PolarHBondContact O-N 3.43Å |
| 19 | Q | 45.8 | Very low | 47.7 | Very low | 128 Ų | 128 | 98.7 Ų | 98.7 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.2 | -34 | 176.6 | -68.6 | -157.9 | 9.2 | 0 | 0 | 113.3 | T16 H17 I22 A23 N54 | T16-Q19 PolarHBondContact O-N 3.27Å; H17-Q19 VanDerWaalsContact C-N 3.32Å; H17-Q19 PolarHBondContact O-N 2.69Å; Q19-I22 PolarHBondContact O-N 3.44Å; Q19-A23 PolarHBondContact O-N 2.93Å; Q19-N54 PolarHBondContact O-ND2 3.48Å |
| 20 | L | 44.4 | Very low | 47.7 | Very low | 38 Ų | 38 | 100.5 Ų | 100.5 | 20% | 0.199 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 178.8 | -95 | 166.6 | 0 | 0 | 0 | 112.7 | T16 H17 E18 I22 A23 A24 E52 N54 | T16-L20 PolarHBondContact O-N 2.95Å; H17-L20 WeakPolarHBondContact O-CB 3.04Å; H17-L20 PolarHBondContact O-N 3.32Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 3.5Å; L20-I22 VanDerWaalsContact C-N 3.28Å; L20-I22 PolarHBondContact O-N 3.18Å; L20-A23 PolarHBondContact O-N 3.08Å; L20-A23 VanDerWaalsContact O-N 3.17Å; L20-A24 PolarHBondContact O-N 3.42Å; L20-E52 HydrophobicContact CD2-CB 4.27Å; L20-E52 HydrophobicContact CD2-CG 4.17Å; L20-N54 WeakPolarHBondContact CA-ND2 3.42Å; L20-N54 HydrophobicContact CD2-CB 3.47Å; L20-N54 VanDerWaalsContact CD2-CB 3.47Å; L20-N54 HydrophobicContact CG-CB 3.73Å; L20-N54 PolarHBondContact N-ND2 3.06Å |
| 21 | Q | 51.4 | Low | 47.1 | Very low | 126 Ų | 126 | 102.6 Ų | 102.6 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -37.3 | 176.3 | -69.3 | -163.4 | -0.8 | 0 | 0 | 111.9 | H17 K25 | H17-Q21 PolarHBondContact NE2-NE2 2.95Å; H17-Q21 PolarHBondContact O-N 2.76Å; Q21-K25 WeakPolarHBondContact O-CB 3.25Å; Q21-K25 PolarHBondContact O-N 3.22Å |
| 22 | I | 49.5 | Very low | 46.7 | Very low | 100 Ų | 100 | 100.3 Ų | 100.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 173.5 | -66.2 | 166.7 | 0 | 0 | 0 | 110.4 | E18 Q19 L20 K25 N26 | E18-I22 WeakPolarHBondContact O-CD1 3.46Å; E18-I22 WeakPolarHBondContact O-CG1 3.37Å; E18-I22 PolarHBondContact O-N 3.43Å; Q19-I22 PolarHBondContact O-N 3.44Å; L20-I22 VanDerWaalsContact C-N 3.28Å; L20-I22 PolarHBondContact O-N 3.18Å; I22-K25 PolarHBondContact O-N 3.16Å; I22-N26 WeakPolarHBondContact O-CB 3.38Å; I22-N26 PolarHBondContact O-N 3.14Å; I22-N26 PolarHBondContact O-ND2 3.31Å; I22-N26 PolarHBondContact O-OD1 3.4Å |
| 23 | A | 41.8 | Very low | 46.4 | Very low | 26 Ų | 26 | 104.9 Ų | 104.9 | 22% | 0.215 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q19 L20 N26 A27 | Q19-A23 PolarHBondContact O-N 2.93Å; L20-A23 PolarHBondContact O-N 3.08Å; L20-A23 VanDerWaalsContact O-N 3.17Å; A23-N26 PolarHBondContact O-N 3.07Å; A23-A27 PolarHBondContact O-N 3.48Å |
| 24 | A | 45.1 | Very low | 45.9 | Very low | 62 Ų | 62 | 102.4 Ų | 102.4 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L20 A27 K28 | L20-A24 PolarHBondContact O-N 3.42Å; A24-A27 PolarHBondContact O-N 2.73Å; A24-K28 PolarHBondContact O-N 3.45Å |
| 25 | K | 50.3 | Low | 45.3 | Very low | 146 Ų | 146 | 101.6 Ų | 101.6 | 64% | 0.635 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 173.3 | -168.3 | 179.1 | 178.3 | -175.8 | 0 | 111.2 | Q21 I22 K28 E29 | Q21-K25 WeakPolarHBondContact O-CB 3.25Å; Q21-K25 PolarHBondContact O-N 3.22Å; I22-K25 PolarHBondContact O-N 3.16Å; K25-K28 PolarHBondContact O-N 3.24Å; K25-E29 PolarHBondContact O-N 3.24Å |
| 26 | N | 41.4 | Very low | 45.1 | Very low | 86 Ų | 86 | 101.6 Ų | 101.6 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 177.3 | -66.9 | -14.6 | 0 | 0 | 0 | 112.9 | I22 A23 | I22-N26 WeakPolarHBondContact O-CB 3.38Å; I22-N26 PolarHBondContact O-N 3.14Å; I22-N26 PolarHBondContact O-ND2 3.31Å; I22-N26 PolarHBondContact O-OD1 3.4Å; A23-N26 PolarHBondContact O-N 3.07Å |
| 27 | A | 43.3 | Very low | 44.9 | Very low | 21 Ų | 21 | 108.5 Ų | 108.5 | 17% | 0.174 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -67.7 | -35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A23 A24 Y30 L51 | A23-A27 PolarHBondContact O-N 3.48Å; A24-A27 PolarHBondContact O-N 2.73Å; A27-Y30 PolarHBondContact O-N 3.43Å; A27-L51 HydrophobicContact CB-CD1 3.81Å |
| 28 | K | 42.1 | Very low | 44.7 | Very low | 179 Ų | 179 | 107.7 Ų | 107.7 | 78% | 0.778 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.4 | -32.1 | 179.8 | -163.4 | 178.2 | -177.8 | 179.9 | 0 | 113.1 | A24 K25 Y30 | A24-K28 PolarHBondContact O-N 3.45Å; K25-K28 PolarHBondContact O-N 3.24Å; K28-Y30 PolarHBondContact O-N 3.43Å |
| 29 | E | 47 | Very low | 44.2 | Very low | 134 Ų | 134 | 105.9 Ų | 105.9 | 63% | 0.626 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -17.8 | 177.6 | -78.1 | -177.1 | 171.5 | 0 | 0 | 113.6 | K25 | K25-E29 PolarHBondContact O-N 3.24Š|
| 30 | Y | 43.6 | Very low | 44.1 | Very low | 153 Ų | 153 | 102.6 Ų | 102.6 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -6.1 | -168 | -96.1 | -76.3 | 0 | 0 | 0 | 115.6 | A27 K28 Y60 | A27-Y30 PolarHBondContact O-N 3.43Å; K28-Y30 PolarHBondContact O-N 3.43Å; Y30-Y60 VanDerWaalsContact CB-OH 3.31Å; Y30-Y60 WeakPolarHBondContact CB-OH 3.38Å; Y30-Y60 HydrophobicContact CD1-CE1 4.13Å; Y30-Y60 AromaticContact CD1-CE2 4Å; Y30-Y60 HydrophobicContact CD1-CE2 4Å; Y30-Y60 AromaticContact CD1-CZ 3.52Å; Y30-Y60 VanDerWaalsContact CD1-OH 3.24Å; Y30-Y60 WeakPolarHBondContact CD1-OH 3.21Å; Y30-Y60 HydrophobicContact CD2-CE2 4.3Å; Y30-Y60 HydrophobicContact CE1-CE1 4.5Å; Y30-Y60 AromaticContact CG-CE2 3.72Å; Y30-Y60 HydrophobicContact CG-CE2 3.72Å; Y30-Y60 AromaticContact CG-CZ 3.73Å |
| 31 | I | 42.1 | Very low | 44.1 | Very low | 97 Ų | 97 | 107.8 Ų | 107.8 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | trans | -114.6 | 8.7 | -175.1 | -57.1 | 175.4 | 0 | 0 | 0 | 111.9 | D33 | I31-D33 PolarHBondContact O-N 2.9Š| ||
| 32 | S | 45.7 | Very low | 43.9 | Very low | 91 Ų | 91 | 106.2 Ų | 106.2 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | trans | -66 | -4.2 | -173.6 | 52.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 33 | D | 38.4 | Very low | 43.7 | Very low | 153 Ų | 153 | 104.3 Ų | 104.3 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -114.7 | 93.6 | -178.5 | -67.3 | -24.2 | 0 | 0 | 0 | 113.9 | I31 | I31-D33 PolarHBondContact O-N 2.9Š|
| 34 | A | 36.1 | Very low | 43.6 | Very low | 93 Ų | 93 | 106.9 Ų | 106.9 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | trans | 86 | 107.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 35 | V | 43.9 | Very low | 43.6 | Very low | 86 Ų | 86 | 106.3 Ų | 106.3 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 179.7 | 125.2 | 134.2 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | L39 L40 | V35-L39 HydrophobicContact CG1-CD2 4.12Å; V35-L40 WeakPolarHBondContact O-CB 3.18Å; V35-L40 WeakPolarHBondContact O-CD1 3.39Å; V35-L40 WeakPolarHBondContact O-CG 3.37Å |
| 36 | N | 47.1 | Very low | 43.3 | Very low | 109 Ų | 109 | 102 Ų | 102 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | trans | 14.3 | 114.6 | 168.8 | -179.7 | -7.6 | 0 | 0 | 0 | 120.5 | T38 L39 L40 | N36-T38 PolarHBondContact O-N 3.22Å; N36-T38 PolarHBondContact OD1-N 3.25Å; N36-T38 VanDerWaalsContact OD1-N 3.09Å; N36-L39 HydrophobicContact CB-CB 4.17Å; N36-L39 CarbonylContact O-C 3.58Å; N36-L39 PolarHBondContact O-N 3.01Å; N36-L39 VanDerWaalsContact O-N 3.16Å; N36-L40 VanDerWaalsContact O-CB 3.29Å; N36-L40 WeakPolarHBondContact O-CB 3.47Å; N36-L40 PolarHBondContact O-N 3.44Å | ||
| 37 | R | 41.8 | Very low | 43.5 | Very low | 224 Ų | 224 | 98.4 Ų | 98.4 | 85% | 0.845 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -50.8 | -39.1 | -178.4 | -81.8 | -173.6 | -177 | 176.1 | 1.6 | 118.2 | R41 | R37-R41 VanDerWaalsContact O-CB 3.28Å; R37-R41 WeakPolarHBondContact O-CB 3.49Å; R37-R41 PolarHBondContact O-N 3.1Å |
| 38 | T | 44.2 | Very low | 43.4 | Very low | 91 Ų | 91 | 101.5 Ų | 101.5 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -77.2 | -38.6 | -179.6 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | N36 R41 R42 | N36-T38 PolarHBondContact O-N 3.22Å; N36-T38 PolarHBondContact OD1-N 3.25Å; N36-T38 VanDerWaalsContact OD1-N 3.09Å; T38-R41 WeakPolarHBondContact O-CB 3.31Å; T38-R41 PolarHBondContact O-N 3.12Å; T38-R42 WeakPolarHBondContact O-CG 3.45Å; T38-R42 PolarHBondContact O-N 3.48Å |
| 39 | L | 44 | Very low | 43.6 | Very low | 80 Ų | 80 | 95.2 Ų | 95.2 | 42% | 0.419 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 173.3 | -167.6 | 74.1 | 0 | 0 | 0 | 110.2 | V35 N36 R41 R42 L43 | V35-L39 HydrophobicContact CG1-CD2 4.12Å; N36-L39 HydrophobicContact CB-CB 4.17Å; N36-L39 CarbonylContact O-C 3.58Å; N36-L39 PolarHBondContact O-N 3.01Å; N36-L39 VanDerWaalsContact O-N 3.16Å; L39-R41 VanDerWaalsContact C-N 3.29Å; L39-R41 PolarHBondContact O-N 2.85Å; L39-R42 PolarHBondContact O-N 3.39Å; L39-L43 HydrophobicContact CD2-CD1 4.13Å; L39-L43 HydrophobicContact CG-CD1 3.84Å; L39-L43 HydrophobicContact CG-CG 4.25Å; L39-L43 WeakPolarHBondContact O-CB 3.24Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.22Å; L39-L43 PolarHBondContact O-N 3.19Å |
| 40 | L | 42.5 | Very low | 43.6 | Very low | 60 Ų | 60 | 90.6 Ų | 90.6 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.8 | -42.1 | 166.9 | -109.9 | 169.7 | 0 | 0 | 0 | 109.8 | V35 N36 R42 L43 N44 | V35-L40 WeakPolarHBondContact O-CB 3.18Å; V35-L40 WeakPolarHBondContact O-CD1 3.39Å; V35-L40 WeakPolarHBondContact O-CG 3.37Å; N36-L40 VanDerWaalsContact O-CB 3.29Å; N36-L40 WeakPolarHBondContact O-CB 3.47Å; N36-L40 PolarHBondContact O-N 3.44Å; L40-R42 PolarHBondContact O-N 3.41Å; L40-L43 PolarHBondContact O-N 3.49Å; L40-N44 WeakPolarHBondContact O-CA 3.31Å; L40-N44 WeakPolarHBondContact O-CB 3.45Å; L40-N44 PolarHBondContact O-N 3.45Å |
| 41 | R | 44.4 | Very low | 43.6 | Very low | 147 Ų | 147 | 85 Ų | 85 | 56% | 0.555 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 177.5 | -130.5 | 177.8 | -176.4 | -179.6 | 2.5 | 110.4 | R37 T38 L39 I45 E286 | R37-R41 VanDerWaalsContact O-CB 3.28Å; R37-R41 WeakPolarHBondContact O-CB 3.49Å; R37-R41 PolarHBondContact O-N 3.1Å; T38-R41 WeakPolarHBondContact O-CB 3.31Å; T38-R41 PolarHBondContact O-N 3.12Å; L39-R41 VanDerWaalsContact C-N 3.29Å; L39-R41 PolarHBondContact O-N 2.85Å; R41-I45 WeakPolarHBondContact O-CB 3.42Å; R41-I45 WeakPolarHBondContact O-CD1 3.44Å; R41-I45 WeakPolarHBondContact O-CG1 3.39Å; R41-I45 PolarHBondContact O-N 3.04Å; R41-E286 IonicContact CZ-OE1 3.37Å; R41-E286 IonicContact CZ-OE2 3.64Å; R41-E286 IonicContact NE-OE1 3.19Å; R41-E286 IonicContact NH1-OE1 3.77Å; R41-E286 IonicContact NH1-OE2 3.66Å; R41-E286 IonicContact NH2-OE1 2.65Å; R41-E286 PolarHBondContact NH2-OE1 2.9Å; R41-E286 IonicContact NH2-OE2 3.65Å |
| 42 | R | 47 | Very low | 43.7 | Very low | 93 Ų | 93 | 84.6 Ų | 84.6 | 35% | 0.351 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.3 | -51.6 | 176.7 | -69.9 | 179.8 | -177.6 | -169.8 | -1.1 | 111.5 | T38 L39 L40 N44 I45 T46 | T38-R42 WeakPolarHBondContact O-CG 3.45Å; T38-R42 PolarHBondContact O-N 3.48Å; L39-R42 PolarHBondContact O-N 3.39Å; L40-R42 PolarHBondContact O-N 3.41Å; R42-N44 VanDerWaalsContact C-N 3.31Å; R42-N44 PolarHBondContact O-N 3.06Å; R42-I45 PolarHBondContact O-N 2.91Å; R42-T46 PolarHBondContact O-N 3.01Å; R42-T46 PolarHBondContact O-OG1 3.15Å |
| 43 | L | 46 | Very low | 43.8 | Very low | 60 Ų | 60 | 83.4 Ų | 83.4 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | 179.5 | -74.5 | 170.7 | 0 | 0 | 0 | 112.2 | L39 L40 A47 | L39-L43 HydrophobicContact CD2-CD1 4.13Å; L39-L43 HydrophobicContact CG-CD1 3.84Å; L39-L43 HydrophobicContact CG-CG 4.25Å; L39-L43 WeakPolarHBondContact O-CB 3.24Å; L39-L43 VanDerWaalsContact O-CG 3.24Å; L39-L43 WeakPolarHBondContact O-CG 3.22Å; L39-L43 PolarHBondContact O-N 3.19Å; L40-L43 PolarHBondContact O-N 3.49Å; L43-A47 WeakPolarHBondContact O-CA 3.45Å; L43-A47 WeakPolarHBondContact O-CB 3.3Å; L43-A47 PolarHBondContact O-N 2.67Å |
| 44 | N | 40.2 | Very low | 43.4 | Very low | 79 Ų | 79 | 78.6 Ų | 78.6 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -76.6 | -36 | 178.9 | -156.3 | 34.9 | 0 | 0 | 0 | 110.3 | L40 R42 A47 I48 | L40-N44 WeakPolarHBondContact O-CA 3.31Å; L40-N44 WeakPolarHBondContact O-CB 3.45Å; L40-N44 PolarHBondContact O-N 3.45Å; R42-N44 VanDerWaalsContact C-N 3.31Å; R42-N44 PolarHBondContact O-N 3.06Å; N44-A47 PolarHBondContact O-N 3.14Å; N44-I48 VanDerWaalsContact O-CB 3.31Å; N44-I48 WeakPolarHBondContact O-CB 3.48Å; N44-I48 WeakPolarHBondContact O-CD1 3.3Å; N44-I48 WeakPolarHBondContact O-CG1 3.46Å; N44-I48 PolarHBondContact O-N 2.85Å |
| 45 | I | 44.5 | Very low | 43.6 | Very low | 50 Ų | 50 | 79.1 Ų | 79.1 | 26% | 0.256 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 168.8 | -72.2 | 164.2 | 0 | 0 | 0 | 110.2 | R41 R42 A47 I48 L49 F285 | R41-I45 WeakPolarHBondContact O-CB 3.42Å; R41-I45 WeakPolarHBondContact O-CD1 3.44Å; R41-I45 WeakPolarHBondContact O-CG1 3.39Å; R41-I45 PolarHBondContact O-N 3.04Å; R42-I45 PolarHBondContact O-N 2.91Å; I45-A47 VanDerWaalsContact C-N 3.28Å; I45-A47 PolarHBondContact O-N 3.03Å; I45-I48 PolarHBondContact O-N 3.1Å; I45-L49 HydrophobicContact CG2-CD1 4.12Å; I45-L49 WeakPolarHBondContact O-CB 3.41Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.7Å; I45-F285 HydrophobicContact CD1-CD2 4.22Å; I45-F285 HydrophobicContact CG2-CD2 3.49Å; I45-F285 VanDerWaalsContact CG2-CD2 3.49Å; I45-F285 HydrophobicContact CG2-CE2 3.37Å; I45-F285 HydrophobicContact CG2-CZ 4.33Å |
| 46 | T | 44.5 | Very low | 43.6 | Very low | 57 Ų | 57 | 77 Ų | 77 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 175.4 | -48.8 | 0 | 0 | 0 | 0 | 111 | R42 L49 D50 | R42-T46 PolarHBondContact O-N 3.01Å; R42-T46 PolarHBondContact O-OG1 3.15Å; T46-L49 PolarHBondContact O-N 3.26Å; T46-D50 WeakPolarHBondContact O-CB 3.28Å; T46-D50 VanDerWaalsContact O-CG 3.32Å; T46-D50 PolarHBondContact O-N 3.22Å |
| 47 | A | 45.9 | Very low | 43.3 | Very low | 10 Ų | 10 | 78.2 Ų | 78.2 | 8% | 0.083 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.6 | -34.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L43 N44 I45 D50 L51 F67 | L43-A47 WeakPolarHBondContact O-CA 3.45Å; L43-A47 WeakPolarHBondContact O-CB 3.3Å; L43-A47 PolarHBondContact O-N 2.67Å; N44-A47 PolarHBondContact O-N 3.14Å; I45-A47 VanDerWaalsContact C-N 3.28Å; I45-A47 PolarHBondContact O-N 3.03Å; A47-D50 CarbonylContact O-C 3.56Å; A47-D50 PolarHBondContact O-N 3.26Å; A47-L51 WeakPolarHBondContact O-CA 3.49Å; A47-L51 WeakPolarHBondContact O-CB 3.36Å; A47-L51 WeakPolarHBondContact O-CD1 3.18Å; A47-L51 WeakPolarHBondContact O-CG 3.15Å; A47-L51 PolarHBondContact O-N 3.27Å; A47-F67 HydrophobicContact CB-CE1 3.84Å; A47-F67 HydrophobicContact CB-CE2 4.31Å; A47-F67 HydrophobicContact CB-CZ 3.72Å |
| 48 | I | 41.7 | Very low | 43.7 | Very low | 86 Ų | 86 | 69.9 Ų | 69.9 | 44% | 0.441 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 172.7 | -73.4 | 162.5 | 0 | 0 | 0 | 109.8 | N44 I45 D50 L51 E52 | N44-I48 VanDerWaalsContact O-CB 3.31Å; N44-I48 WeakPolarHBondContact O-CB 3.48Å; N44-I48 WeakPolarHBondContact O-CD1 3.3Å; N44-I48 WeakPolarHBondContact O-CG1 3.46Å; N44-I48 PolarHBondContact O-N 2.85Å; I45-I48 PolarHBondContact O-N 3.1Å; I48-D50 PolarHBondContact O-N 3.19Å; I48-L51 PolarHBondContact O-N 2.94Å; I48-L51 VanDerWaalsContact O-N 3.09Å; I48-E52 PolarHBondContact O-N 3.15Å; I48-E52 VanDerWaalsContact O-N 3.09Å |
| 49 | L | 45.1 | Very low | 44.1 | Very low | 46 Ų | 46 | 74.9 Ų | 74.9 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 173.5 | -69.6 | 168.9 | 0 | 0 | 0 | 111.3 | I45 T46 F53 F285 | I45-L49 HydrophobicContact CG2-CD1 4.12Å; I45-L49 WeakPolarHBondContact O-CB 3.41Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.7Å; T46-L49 PolarHBondContact O-N 3.26Å; L49-F53 WeakPolarHBondContact O-CD2 3.13Å; L49-F53 WeakPolarHBondContact O-CE2 3.4Å; L49-F285 HydrophobicContact CD1-CE2 4.43Å; L49-F285 HydrophobicContact CD1-CZ 4.16Å |
| 50 | D | 47.1 | Very low | 44.6 | Very low | 37 Ų | 37 | 75.6 Ų | 75.6 | 20% | 0.198 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -82.7 | -13.4 | 177.2 | -73.4 | -7.2 | 0 | 0 | 0 | 113.6 | T46 A47 I48 F53 F67 | T46-D50 WeakPolarHBondContact O-CB 3.28Å; T46-D50 VanDerWaalsContact O-CG 3.32Å; T46-D50 PolarHBondContact O-N 3.22Å; A47-D50 CarbonylContact O-C 3.56Å; A47-D50 PolarHBondContact O-N 3.26Å; I48-D50 PolarHBondContact O-N 3.19Å; D50-F53 WeakPolarHBondContact O-CB 3.46Å; D50-F53 VanDerWaalsContact O-CD2 3.26Å; D50-F53 WeakPolarHBondContact O-CD2 3.37Å; D50-F67 HydrophobicContact CB-CE1 3.8Å; D50-F67 HydrophobicContact CB-CZ 3.69Å; D50-F67 WeakPolarHBondContact OD2-CE1 3.39Å |
| 51 | L | 43 | Very low | 45.1 | Very low | 36 Ų | 36 | 82.3 Ų | 82.3 | 19% | 0.188 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -98.8 | -22.7 | -178 | -85 | 166.7 | 0 | 0 | 0 | 113.9 | A27 A47 I48 F53 K63 | A27-L51 HydrophobicContact CB-CD1 3.81Å; A47-L51 WeakPolarHBondContact O-CA 3.49Å; A47-L51 WeakPolarHBondContact O-CB 3.36Å; A47-L51 WeakPolarHBondContact O-CD1 3.18Å; A47-L51 WeakPolarHBondContact O-CG 3.15Å; A47-L51 PolarHBondContact O-N 3.27Å; I48-L51 PolarHBondContact O-N 2.94Å; I48-L51 VanDerWaalsContact O-N 3.09Å; L51-F53 PolarHBondContact O-N 2.8Å; L51-K63 HydrophobicContact CD2-CD 3.97Å |
| 52 | E | 43.8 | Very low | 45.9 | Very low | 89 Ų | 89 | 77.1 Ų | 77.1 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | trans | -61.3 | -2.7 | 168.1 | -86.8 | -178.8 | 161.7 | 0 | 0 | 113.2 | L20 I48 N54 R329 | L20-E52 HydrophobicContact CD2-CB 4.27Å; L20-E52 HydrophobicContact CD2-CG 4.17Å; I48-E52 PolarHBondContact O-N 3.15Å; I48-E52 VanDerWaalsContact O-N 3.09Å; E52-N54 PolarHBondContact O-N 3.12Å; E52-R329 IonicContact OE2-CZ 3.06Å; E52-R329 IonicContact OE2-NH1 3.9Å; E52-R329 IonicContact OE2-NH2 3.56Å; E52-R329 PolarHBondContact OE2-NH2 2.76Å | ||
| 53 | F | 47.7 | Very low | 46.4 | Very low | 65 Ų | 65 | 75.7 Ų | 75.7 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | trans | -64.9 | 36.8 | 172.2 | -87.5 | -82.4 | 0 | 0 | 0 | 116.2 | L49 D50 L51 V55 W56 Y148 | L49-F53 WeakPolarHBondContact O-CD2 3.13Å; L49-F53 WeakPolarHBondContact O-CE2 3.4Å; D50-F53 WeakPolarHBondContact O-CB 3.46Å; D50-F53 VanDerWaalsContact O-CD2 3.26Å; D50-F53 WeakPolarHBondContact O-CD2 3.37Å; L51-F53 PolarHBondContact O-N 2.8Å; F53-V55 PolarHBondContact O-N 2.66Å; F53-W56 PolarHBondContact O-N 3.07Å; F53-Y148 HydrophobicContact CD1-CE2 4.34Å; F53-Y148 AromaticContact CE1-CD2 3.59Å; F53-Y148 HydrophobicContact CE1-CD2 3.59Å; F53-Y148 HydrophobicContact CE1-CE1 4.08Å; F53-Y148 AromaticContact CE1-CE2 3.04Å; F53-Y148 HydrophobicContact CE1-CE2 3.04Å; F53-Y148 HydrophobicContact CE1-CG 4.32Å; F53-Y148 AromaticContact CE1-CZ 3.31Å; F53-Y148 HydrophobicContact CZ-CD2 4.18Å; F53-Y148 HydrophobicContact CZ-CE1 4.14Å; F53-Y148 AromaticContact CZ-CE2 3.18Å; F53-Y148 HydrophobicContact CZ-CE2 3.18Å; F53-Y148 AromaticContact CZ-CZ 3.13Å; F53-Y148 WeakPolarHBondContact CZ-OH 3.24Å | ||
| 54 | N | 31.9 | Very low | 47.1 | Very low | 53 Ų | 53 | 80 Ų | 80 | 28% | 0.283 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 32.3 | -169.1 | -138.8 | 24.7 | 0 | 0 | 0 | 116.2 | Q19 L20 E52 | Q19-N54 PolarHBondContact O-ND2 3.48Å; L20-N54 WeakPolarHBondContact CA-ND2 3.42Å; L20-N54 HydrophobicContact CD2-CB 3.47Å; L20-N54 VanDerWaalsContact CD2-CB 3.47Å; L20-N54 HydrophobicContact CG-CB 3.73Å; L20-N54 PolarHBondContact N-ND2 3.06Å; E52-N54 PolarHBondContact O-N 3.12Å |
| 55 | V | 38.7 | Very low | 48.4 | Very low | 103 Ų | 103 | 81.3 Ų | 81.3 | 62% | 0.624 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -7.3 | 165.6 | -166 | 0 | 0 | 0 | 0 | 110.7 | F53 V141 | F53-V55 PolarHBondContact O-N 2.66Å; V55-V141 HydrophobicContact CG1-CG1 4.33Å; V55-V141 WeakPolarHBondContact O-CG2 3.3Å |
| 56 | W | 44.5 | Very low | 49.5 | Very low | 41 Ų | 41 | 80.6 Ų | 80.6 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | trans | -107.5 | 109.8 | -170.6 | -59.1 | 59.5 | 0 | 0 | 0 | 112.1 | F53 L58 S140 V141 E142 | F53-W56 PolarHBondContact O-N 3.07Å; W56-L58 HydrophobicContact CB-CD1 4.15Å; W56-L58 PolarHBondContact O-N 3.17Å; W56-S140 VanDerWaalsContact CH2-CB 3.42Å; W56-V141 HydrophobicContact CB-CG2 3.88Å; W56-V141 HydrophobicContact CD2-CB 3.89Å; W56-V141 HydrophobicContact CD2-CG2 3.75Å; W56-V141 HydrophobicContact CE3-CB 4.47Å; W56-V141 HydrophobicContact CE3-CG2 4.28Å; W56-V141 HydrophobicContact CG-CB 4.17Å; W56-V141 HydrophobicContact CG-CG2 3.69Å; W56-V141 HydrophobicContact CZ2-CB 4.24Å; W56-E142 HydrophobicContact CZ2-CB 4.28Å; W56-E142 HydrophobicContact CZ2-CG 4.04Å | ||
| 57 | T | 40 | Very low | 50.3 | Low | 135 Ų | 135 | 80.3 Ų | 80.3 | 83% | 0.828 | 37% | 0.373 | S | S | * | . | trans | -72.1 | 53.1 | 169.3 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | R59 | T57-R59 PolarHBondContact O-N 3.06Š| ||
| 58 | L | 51.6 | Low | 51.3 | Low | 49 Ų | 49 | 83.6 Ų | 83.6 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | trans | -67.2 | 122.6 | 167.4 | -94.6 | 153.2 | 0 | 0 | 0 | 109.4 | W56 D62 K63 H139 | W56-L58 HydrophobicContact CB-CD1 4.15Å; W56-L58 PolarHBondContact O-N 3.17Å; L58-D62 HydrophobicContact CD2-CB 3.73Å; L58-K63 HydrophobicContact CB-CG 4.07Å; L58-H139 HydrophobicContact CD1-CB 4.31Å; L58-H139 HydrophobicContact CD2-CB 3.19Å; L58-H139 WeakPolarHBondContact CD2-CD2 3.16Å; L58-H139 HydrophobicContact CG-CB 3.59Å | ||
| 59 | R | 51.5 | Low | 52.7 | Low | 197 Ų | 197 | 80.6 Ų | 80.6 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | trans | -62.5 | 144.9 | 171.5 | -59.6 | -177.5 | -167.5 | -176.3 | 5.3 | 108.7 | T57 W61 D62 | T57-R59 PolarHBondContact O-N 3.06Å; R59-W61 VanDerWaalsContact C-N 3.27Å; R59-W61 PolarHBondContact O-N 3.44Å; R59-W61 VanDerWaalsContact O-N 3.12Å; R59-D62 PolarHBondContact O-N 3.41Å | ||
| 60 | Y | 54.3 | Low | 53.7 | Low | 94 Ų | 94 | 80.2 Ų | 80.2 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -51.9 | -38.4 | -171.7 | 169.9 | -94 | 0 | 0 | 0 | 114.6 | Y30 D62 K63 | Y30-Y60 VanDerWaalsContact CB-OH 3.31Å; Y30-Y60 WeakPolarHBondContact CB-OH 3.38Å; Y30-Y60 HydrophobicContact CD1-CE1 4.13Å; Y30-Y60 AromaticContact CD1-CE2 4Å; Y30-Y60 HydrophobicContact CD1-CE2 4Å; Y30-Y60 AromaticContact CD1-CZ 3.52Å; Y30-Y60 VanDerWaalsContact CD1-OH 3.24Å; Y30-Y60 WeakPolarHBondContact CD1-OH 3.21Å; Y30-Y60 HydrophobicContact CD2-CE2 4.3Å; Y30-Y60 HydrophobicContact CE1-CE1 4.5Å; Y30-Y60 AromaticContact CG-CE2 3.72Å; Y30-Y60 HydrophobicContact CG-CE2 3.72Å; Y30-Y60 AromaticContact CG-CZ 3.73Å; Y60-D62 VanDerWaalsContact C-N 3.27Å; Y60-D62 PolarHBondContact O-N 3.05Å; Y60-K63 PolarHBondContact O-N 3.14Å |
| 61 | W | 52.9 | Low | 54.5 | Low | 202 Ų | 202 | 81.7 Ų | 81.7 | 77% | 0.765 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.2 | -31.7 | 179.5 | -61.7 | 104.6 | 0 | 0 | 0 | 113.6 | R59 | R59-W61 VanDerWaalsContact C-N 3.27Å; R59-W61 PolarHBondContact O-N 3.44Å; R59-W61 VanDerWaalsContact O-N 3.12Å |
| 62 | D | 62 | Low | 55.8 | Low | 38 Ų | 38 | 82 Ų | 82 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -78.2 | -30.1 | -175.6 | -60.2 | -62 | 0 | 0 | 0 | 112.3 | L58 R59 Y60 K64 K65 Y66 L135 H139 | L58-D62 HydrophobicContact CD2-CB 3.73Å; R59-D62 PolarHBondContact O-N 3.41Å; Y60-D62 VanDerWaalsContact C-N 3.27Å; Y60-D62 PolarHBondContact O-N 3.05Å; D62-K64 PolarHBondContact O-N 3.47Å; D62-K65 PolarHBondContact O-N 3.41Å; D62-Y66 PolarHBondContact O-N 3.02Å; D62-Y66 VanDerWaalsContact O-N 3.17Å; D62-L135 HydrophobicContact CB-CD1 4.03Å; D62-H139 WeakPolarHBondContact CB-CE1 3.23Å; D62-H139 WeakPolarHBondContact CB-NE2 3.26Å; D62-H139 IonicContact OD1-CE1 2.73Å; D62-H139 PolarHBondContact OD1-CE1 3.03Å; D62-H139 VanDerWaalsContact OD1-CE1 3.3Å; D62-H139 IonicContact OD1-NE2 3.47Å; D62-H139 IonicContact OD2-CE1 3.89Å; D62-H139 IonicContact OD2-NE2 2.72Å; D62-H139 PolarHBondContact OD2-NE2 3.37Å |
| 63 | K | 57.9 | Low | 57.3 | Low | 62 Ų | 62 | 77.8 Ų | 77.8 | 27% | 0.27 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 173.3 | -69.7 | -172.9 | 177.2 | -175.4 | 0 | 112.5 | L51 L58 Y60 Y66 F67 | L51-K63 HydrophobicContact CD2-CD 3.97Å; L58-K63 HydrophobicContact CB-CG 4.07Å; Y60-K63 PolarHBondContact O-N 3.14Å; K63-Y66 WeakPolarHBondContact O-CB 3.45Å; K63-Y66 PolarHBondContact O-N 3.46Å; K63-F67 VanDerWaalsContact O-CD2 3.23Å; K63-F67 WeakPolarHBondContact O-CD2 3.4Å; K63-F67 PolarHBondContact O-N 3.29Å |
| 64 | K | 59.7 | Low | 58.3 | Low | 152 Ų | 152 | 78 Ų | 78 | 66% | 0.661 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.7 | -39.4 | 179.1 | -171.6 | 176.2 | -178.9 | 176 | 0 | 111.8 | D62 Y66 S68 | D62-K64 PolarHBondContact O-N 3.47Å; K64-Y66 VanDerWaalsContact C-N 3.29Å; K64-Y66 PolarHBondContact O-N 2.8Å; K64-S68 PolarHBondContact O-N 2.99Å |
| 65 | K | 68.2 | Low | 59.9 | Low | 105 Ų | 105 | 78.8 Ų | 78.8 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 177 | -165.1 | 173 | 172.6 | -173.2 | 0 | 111.1 | D62 S68 Q69 L135 | D62-K65 PolarHBondContact O-N 3.41Å; K65-S68 PolarHBondContact O-N 3.49Å; K65-Q69 VanDerWaalsContact O-CG 3.32Å; K65-Q69 WeakPolarHBondContact O-CG 3.49Å; K65-Q69 PolarHBondContact O-N 3.04Å; K65-Q69 VanDerWaalsContact O-N 3.13Å; K65-L135 VanDerWaalsContact C-CD2 3.5Å; K65-L135 HydrophobicContact CB-CD1 4.24Å; K65-L135 HydrophobicContact CB-CD2 3.8Å; K65-L135 HydrophobicContact CD-CD1 4.11Å; K65-L135 HydrophobicContact CG-CD1 4.41Å; K65-L135 HydrophobicContact CG-CD2 3.99Å |
| 66 | Y | 67 | Low | 61.4 | Low | 35 Ų | 35 | 76.1 Ų | 76.1 | 14% | 0.137 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.3 | -51.9 | 179.7 | 175.6 | -92 | 0 | 0 | 0 | 112.3 | D62 K63 K64 S68 Q69 K70 F132 V136 Y145 | D62-Y66 PolarHBondContact O-N 3.02Å; D62-Y66 VanDerWaalsContact O-N 3.17Å; K63-Y66 WeakPolarHBondContact O-CB 3.45Å; K63-Y66 PolarHBondContact O-N 3.46Å; K64-Y66 VanDerWaalsContact C-N 3.29Å; K64-Y66 PolarHBondContact O-N 2.8Å; Y66-S68 PolarHBondContact O-N 3.4Å; Y66-Q69 PolarHBondContact O-N 3.27Å; Y66-K70 PolarHBondContact O-N 3.19Å; Y66-F132 HydrophobicContact CD2-CD2 4.17Å; Y66-F132 AromaticContact CD2-CE2 3.41Å; Y66-F132 HydrophobicContact CD2-CE2 3.41Å; Y66-F132 VanDerWaalsContact CD2-CE2 3.41Å; Y66-F132 AromaticContact CD2-CZ 3.99Å; Y66-F132 HydrophobicContact CD2-CZ 3.99Å; Y66-F132 HydrophobicContact CE1-CE2 4.49Å; Y66-F132 HydrophobicContact CE2-CD2 4.33Å; Y66-F132 AromaticContact CE2-CE2 3.2Å; Y66-F132 HydrophobicContact CE2-CE2 3.2Å; Y66-F132 AromaticContact CE2-CZ 3.33Å; Y66-F132 HydrophobicContact CE2-CZ 3.33Å; Y66-F132 HydrophobicContact CG-CE2 4.15Å; Y66-F132 AromaticContact CZ-CE2 3.8Å; Y66-F132 AromaticContact CZ-CZ 3.89Å; Y66-V136 HydrophobicContact CD2-CG2 3.71Å; Y66-V136 HydrophobicContact CE2-CG2 3.57Å; Y66-Y145 PolarHBondContact OH-OH 3.32Å |
| 67 | F | 61.8 | Low | 62.8 | Low | 52 Ų | 52 | 75.2 Ų | 75.2 | 23% | 0.228 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.6 | -36.1 | -179.3 | -69.7 | -68.4 | 0 | 0 | 0 | 113.5 | A47 D50 K63 T71 | A47-F67 HydrophobicContact CB-CE1 3.84Å; A47-F67 HydrophobicContact CB-CE2 4.31Å; A47-F67 HydrophobicContact CB-CZ 3.72Å; D50-F67 HydrophobicContact CB-CE1 3.8Å; D50-F67 HydrophobicContact CB-CZ 3.69Å; D50-F67 WeakPolarHBondContact OD2-CE1 3.39Å; K63-F67 VanDerWaalsContact O-CD2 3.23Å; K63-F67 WeakPolarHBondContact O-CD2 3.4Å; K63-F67 PolarHBondContact O-N 3.29Å; F67-T71 PolarHBondContact O-N 3.23Å; F67-T71 PolarHBondContact O-OG1 3.05Å; F67-T71 VanDerWaalsContact O-OG1 3.04Å |
| 68 | S | 67.3 | Low | 64.1 | Low | 79 Ų | 79 | 70.9 Ų | 70.9 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | K64 K65 Y66 S72 | K64-S68 PolarHBondContact O-N 2.99Å; K65-S68 PolarHBondContact O-N 3.49Å; Y66-S68 PolarHBondContact O-N 3.4Å; S68-S72 PolarHBondContact O-N 3.49Å |
| 69 | Q | 70.3 | Confident | 65.1 | Low | 22 Ų | 22 | 72.9 Ų | 72.9 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -45.8 | -179.6 | -68.8 | -67.4 | 6.6 | 0 | 0 | 111.8 | K65 Y66 T71 S72 M73 D131 F132 | K65-Q69 VanDerWaalsContact O-CG 3.32Å; K65-Q69 WeakPolarHBondContact O-CG 3.49Å; K65-Q69 PolarHBondContact O-N 3.04Å; K65-Q69 VanDerWaalsContact O-N 3.13Å; Y66-Q69 PolarHBondContact O-N 3.27Å; Q69-T71 VanDerWaalsContact C-N 3.34Å; Q69-T71 PolarHBondContact O-N 2.97Å; Q69-S72 PolarHBondContact O-N 3.42Å; Q69-M73 WeakPolarHBondContact O-CG 3.19Å; Q69-M73 PolarHBondContact O-N 3.34Å; Q69-D131 HydrophobicContact CG-CB 4.39Å; Q69-D131 PolarHBondContact NE2-OD2 3.43Å; Q69-F132 HydrophobicContact CB-CB 4.11Å; Q69-F132 HydrophobicContact CB-CD2 4.22Å |
| 70 | K | 67.4 | Low | 66.4 | Low | 38 Ų | 38 | 63.7 Ų | 63.7 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55 | -45.3 | 177.2 | -169.9 | 174 | 179.2 | 175.7 | 0 | 113.1 | Y66 M73 F132 A442 | Y66-K70 PolarHBondContact O-N 3.19Å; K70-M73 HydrophobicContact CB-CE 4.36Å; K70-F132 HydrophobicContact CB-CE2 4.35Å; K70-A442 WeakPolarHBondContact CE-O 3.02Å |
| 71 | T | 63.1 | Low | 67.7 | Low | 68 Ų | 68 | 61.3 Ų | 61.3 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 179.7 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | F67 Q69 S75 | F67-T71 PolarHBondContact O-N 3.23Å; F67-T71 PolarHBondContact O-OG1 3.05Å; F67-T71 VanDerWaalsContact O-OG1 3.04Å; Q69-T71 VanDerWaalsContact C-N 3.34Å; Q69-T71 PolarHBondContact O-N 2.97Å; T71-S75 PolarHBondContact O-N 3.49Å |
| 72 | S | 70.8 | Confident | 69.1 | Low | 43 Ų | 43 | 51.7 Ų | 51.7 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | -178.9 | -162.3 | 0 | 0 | 0 | 0 | 112.6 | S68 Q69 N76 N128 | S68-S72 PolarHBondContact O-N 3.49Å; Q69-S72 PolarHBondContact O-N 3.42Å; S72-N76 VanDerWaalsContact O-CG 3.3Å; S72-N76 PolarHBondContact O-N 3.04Å; S72-N76 VanDerWaalsContact O-N 3.08Å; S72-N128 WeakPolarHBondContact CB-ND2 3.47Å; S72-N128 PolarHBondContact OG-ND2 3.26Å |
| 73 | M | 74.8 | Confident | 70 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -52.3 | 177 | -75 | -171 | -73.8 | 0 | 0 | 112.8 | Q69 K70 S75 N76 Y77 N128 F129 F132 Y441 | Q69-M73 WeakPolarHBondContact O-CG 3.19Å; Q69-M73 PolarHBondContact O-N 3.34Å; K70-M73 HydrophobicContact CB-CE 4.36Å; M73-S75 VanDerWaalsContact C-N 3.31Å; M73-S75 PolarHBondContact O-N 3.08Å; M73-N76 PolarHBondContact O-N 2.96Å; M73-Y77 WeakPolarHBondContact O-CB 3.39Å; M73-Y77 PolarHBondContact O-N 3.26Å; M73-N128 HydrophobicContact CG-CB 3.6Å; M73-F129 HydrophobicContact CG-CB 4.43Å; M73-F129 WeakPolarHBondContact SD-CA 3.28Å; M73-F129 HydrophobicContact SD-CB 3.47Å; M73-F129 WeakPolarHBondContact SD-CB 3.5Å; M73-F129 HydrophobicContact SD-CD2 3.7Å; M73-F129 HydrophobicContact SD-CG 4.08Å; M73-F132 HydrophobicContact CE-CB 3.84Å; M73-F132 HydrophobicContact CE-CD1 4.11Å; M73-F132 HydrophobicContact CE-CD2 3.95Å; M73-F132 HydrophobicContact CE-CG 3.69Å; M73-F132 HydrophobicContact SD-CB 4.33Å; M73-Y441 HydrophobicContact CB-CD1 4.1Å |
| 74 | I | 67.7 | Low | 70.8 | Confident | 70 Ų | 70 | 48.6 Ų | 48.6 | 36% | 0.359 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | -179 | -61 | 174.9 | 0 | 0 | 0 | 110.9 | Y77 A78 Y441 | I74-Y77 PolarHBondContact O-N 3.42Å; I74-A78 WeakPolarHBondContact O-CB 3Å; I74-A78 PolarHBondContact O-N 3.38Å; I74-Y441 WeakPolarHBondContact CG1-O 3.39Å |
| 75 | S | 66.2 | Low | 71.6 | Confident | 70 Ų | 70 | 43.7 Ų | 43.7 | 49% | 0.49 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 178.7 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | T71 M73 A78 T79 | T71-S75 PolarHBondContact O-N 3.49Å; M73-S75 VanDerWaalsContact C-N 3.31Å; M73-S75 PolarHBondContact O-N 3.08Å; S75-A78 PolarHBondContact O-N 3.41Å; S75-T79 PolarHBondContact O-N 3.47Å; S75-T79 PolarHBondContact O-OG1 3.31Å |
| 76 | N | 70.6 | Confident | 71.5 | Confident | 47 Ų | 47 | 45.4 Ų | 45.4 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 178.8 | -71.7 | -4.7 | 0 | 0 | 0 | 111 | S72 M73 A78 T79 A125 N128 | S72-N76 VanDerWaalsContact O-CG 3.3Å; S72-N76 PolarHBondContact O-N 3.04Å; S72-N76 VanDerWaalsContact O-N 3.08Å; M73-N76 PolarHBondContact O-N 2.96Å; N76-A78 PolarHBondContact O-N 3.13Å; N76-T79 PolarHBondContact O-N 3.19Å; N76-T79 VanDerWaalsContact O-N 3.12Å; N76-T79 PolarHBondContact O-OG1 3.5Å; N76-A125 HydrophobicContact CB-CB 3.82Å; N76-N128 PolarHBondContact ND2-ND2 3.25Å |
| 77 | Y | 74.6 | Confident | 71.6 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 178.1 | -176.8 | -99 | 0 | 0 | 0 | 112.8 | M73 I74 T79 S80 L94 W118 L122 W205 S436 Y438 Y441 | M73-Y77 WeakPolarHBondContact O-CB 3.39Å; M73-Y77 PolarHBondContact O-N 3.26Å; I74-Y77 PolarHBondContact O-N 3.42Å; Y77-T79 PolarHBondContact O-N 3.18Å; Y77-T79 VanDerWaalsContact O-N 3.1Å; Y77-S80 WeakPolarHBondContact O-CB 3.18Å; Y77-S80 PolarHBondContact O-N 2.06Å; Y77-S80 PolarHBondContact O-OG 2.97Å; Y77-L94 HydrophobicContact CD1-CD2 4.21Å; Y77-L94 HydrophobicContact CD2-CD2 4.5Å; Y77-L94 HydrophobicContact CE1-CD2 3.63Å; Y77-L94 HydrophobicContact CE2-CD2 3.98Å; Y77-W118 HydrophobicContact CE2-CZ2 4.36Å; Y77-L122 HydrophobicContact CD2-CD2 3.65Å; Y77-L122 HydrophobicContact CE2-CD1 4.35Å; Y77-L122 HydrophobicContact CE2-CD2 4.17Å; Y77-W205 VanDerWaalsContact OH-CZ2 3.23Å; Y77-W205 WeakPolarHBondContact OH-CZ2 3.3Å; Y77-S436 WeakPolarHBondContact CE2-O 3.24Å; Y77-S436 PolarHBondContact OH-O 3.34Å; Y77-Y438 PolarHBondContact OH-N 3.26Å; Y77-Y441 HydrophobicContact CD1-CD2 4.32Å; Y77-Y441 AromaticContact CD2-CD2 3.25Å; Y77-Y441 HydrophobicContact CD2-CD2 3.25Å; Y77-Y441 AromaticContact CD2-CE2 3.03Å; Y77-Y441 HydrophobicContact CD2-CE2 3.03Å; Y77-Y441 HydrophobicContact CD2-CG 4.19Å; Y77-Y441 AromaticContact CD2-CZ 3.81Å; Y77-Y441 AromaticContact CE2-CD2 3.72Å; Y77-Y441 HydrophobicContact CE2-CD2 3.72Å; Y77-Y441 AromaticContact CE2-CE2 3.33Å; Y77-Y441 HydrophobicContact CE2-CE2 3.33Å; Y77-Y441 AromaticContact CG-CD2 3.57Å; Y77-Y441 HydrophobicContact CG-CD2 3.57Å; Y77-Y441 AromaticContact CG-CE2 3.86Å; Y77-Y441 HydrophobicContact CG-CE2 3.86Å; Y77-Y441 HydrophobicContact CG-CG 4.22Å |
| 78 | A | 66.4 | Low | 72.1 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -14.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | I74 S75 N76 | I74-A78 WeakPolarHBondContact O-CB 3Å; I74-A78 PolarHBondContact O-N 3.38Å; S75-A78 PolarHBondContact O-N 3.41Å; N76-A78 PolarHBondContact O-N 3.13Å |
| 79 | T | 72.1 | Confident | 72.5 | Confident | 91 Ų | 91 | 54 Ų | 54 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -1.6 | 179.1 | 57.3 | 0 | 0 | 0 | 0 | 115.2 | S75 N76 Y77 | S75-T79 PolarHBondContact O-N 3.47Å; S75-T79 PolarHBondContact O-OG1 3.31Å; N76-T79 PolarHBondContact O-N 3.19Å; N76-T79 VanDerWaalsContact O-N 3.12Å; N76-T79 PolarHBondContact O-OG1 3.5Å; Y77-T79 PolarHBondContact O-N 3.18Å; Y77-T79 VanDerWaalsContact O-N 3.1Å |
| 80 | S | 79.7 | Confident | 72.7 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | trans | -64.7 | 156.1 | -178.8 | 60.8 | 0 | 0 | 0 | 0 | 114 | Y77 L94 W118 | Y77-S80 WeakPolarHBondContact O-CB 3.18Å; Y77-S80 PolarHBondContact O-N 2.06Å; Y77-S80 PolarHBondContact O-OG 2.97Å; S80-L94 PolarHBondContact O-N 2.92Å; S80-L94 VanDerWaalsContact OG-CB 3.26Å; S80-L94 WeakPolarHBondContact OG-CB 3.4Å; S80-L94 VanDerWaalsContact OG-CD2 3.23Å; S80-L94 WeakPolarHBondContact OG-CD2 3.07Å; S80-W118 PolarHBondContact OG-NE1 3.27Å | ||
| 81 | Y | 80.4 | Confident | 73.3 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 17% | 0.169 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.1 | -179.2 | 63.2 | -94.5 | 0 | 0 | 0 | 112.4 | C88 K91 I92 W118 E121 | Y81-C88 VanDerWaalsContact CE2-SG 3.51Å; Y81-K91 HydrophobicContact CD1-CD 4.15Å; Y81-K91 HydrophobicContact CD2-CB 3.9Å; Y81-K91 HydrophobicContact CD2-CD 3.69Å; Y81-K91 HydrophobicContact CD2-CG 3.71Å; Y81-K91 HydrophobicContact CE1-CD 4Å; Y81-K91 HydrophobicContact CE2-CD 3.57Å; Y81-K91 HydrophobicContact CE2-CG 3.87Å; Y81-K91 HydrophobicContact CG-CB 4.16Å; Y81-K91 HydrophobicContact CG-CD 4.01Å; Y81-K91 HydrophobicContact CG-CG 4.29Å; Y81-K91 PolarHBondContact OH-NZ 3.09Å; Y81-I92 CarbonylContact C-O 3.58Å; Y81-I92 WeakPolarHBondContact CA-O 3.1Å; Y81-I92 WeakPolarHBondContact CB-O 3.46Å; Y81-W118 WeakPolarHBondContact O-CA 2.82Å; Y81-E121 HydrophobicContact CD2-CG 4.28Å; Y81-E121 HydrophobicContact CE1-CG 4.3Å; Y81-E121 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E121 WeakPolarHBondContact CE1-OE2 3.45Å; Y81-E121 HydrophobicContact CE2-CG 3.92Å; Y81-E121 WeakPolarHBondContact CE2-OE1 3.22Å; Y81-E121 WeakPolarHBondContact O-CG 3.47Å; Y81-E121 PolarHBondContact OH-OE1 3.05Å; Y81-E121 PolarHBondContact OH-OE2 3.03Å |
| 82 | A | 83.3 | Confident | 74 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 161.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K91 I92 L98 F114 W118 | A82-K91 WeakPolarHBondContact O-CA 3.41Å; A82-I92 PolarHBondContact N-O 3.3Å; A82-I92 PolarHBondContact O-N 3.32Å; A82-L98 HydrophobicContact CB-CD1 3.67Å; A82-L98 HydrophobicContact CB-CD2 3.67Å; A82-L98 HydrophobicContact CB-CG 4.32Å; A82-F114 HydrophobicContact CB-CD1 4.43Å; A82-W118 HydrophobicContact CB-CB 3.96Å |
| 83 | C | 80.7 | Confident | 74.2 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.2 | -178.1 | -56 | 0 | 0 | 0 | 0 | 111.2 | C88 S117 | C83-C88 HydrophobicContact CB-CB 3.65Å; C83-C88 WeakPolarHBondContact CB-SG 3.44Å; C83-C88 WeakPolarHBondContact SG-CB 2.78Å; C83-C88 CovalentContact SG-SG 2.02Å; C83-C88 PolarHBondContact SG-SG 3.48Å; C83-S117 PolarHBondContact N-OG 2.69Å |
| 84 | A | 75.7 | Confident | 74 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -81.1 | -21.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E90 I92 F114 | A84-E90 HydrophobicContact CB-CB 4.24Å; A84-E90 PolarHBondContact N-O 2.92Å; A84-I92 HydrophobicContact CB-CD1 4.3Å; A84-F114 HydrophobicContact CB-CE1 3.82Å; A84-F114 HydrophobicContact CB-CZ 4.39Å |
| 85 | T | 74.9 | Confident | 73.7 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 31% | 0.307 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -125.6 | 156.8 | -175.5 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | N87 C88 K89 K113 | T85-N87 PolarHBondContact O-N 3.09Å; T85-C88 PolarHBondContact O-N 3.16Å; T85-K89 PolarHBondContact OG1-N 3.36Å; T85-K113 VanDerWaalsContact C-CE 3.45Å; T85-K113 VanDerWaalsContact C-NZ 3.35Å |
| 86 | D | 66.6 | Low | 73.5 | Confident | 141 Ų | 141 | 61.7 Ų | 61.7 | 75% | 0.754 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.7 | -170.5 | -63.7 | -60.2 | 0 | 0 | 0 | 114.7 | K113 | D86-K113 VanDerWaalsContact OD1-CE 3.23Å; D86-K113 WeakPolarHBondContact OD1-CE 3.4Å; D86-K113 IonicContact OD1-NZ 3.94Å; D86-K113 PolarHBondContact OD1-NZ 3.26Å; D86-K113 IonicContact OD2-NZ 3.59Å; D86-K113 PolarHBondContact OD2-NZ 2.99Å |
| 87 | N | 69.6 | Low | 73.5 | Confident | 139 Ų | 139 | 62.8 Ų | 62.8 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 15.6 | 175.1 | -68.7 | -23.9 | 0 | 0 | 0 | 112.9 | T85 K89 | T85-N87 PolarHBondContact O-N 3.09Å; N87-K89 VanDerWaalsContact C-N 3.26Å; N87-K89 PolarHBondContact O-N 2.68Å |
| 88 | C | 72.5 | Confident | 73.6 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | trans | 50.9 | 38.6 | -179.1 | -150.1 | 0 | 0 | 0 | 0 | 115.1 | Y81 C83 T85 E90 | Y81-C88 VanDerWaalsContact CE2-SG 3.51Å; C83-C88 HydrophobicContact CB-CB 3.65Å; C83-C88 WeakPolarHBondContact CB-SG 3.44Å; C83-C88 WeakPolarHBondContact SG-CB 2.78Å; C83-C88 CovalentContact SG-SG 2.02Å; C83-C88 PolarHBondContact SG-SG 3.48Å; T85-C88 PolarHBondContact O-N 3.16Å; C88-E90 VanDerWaalsContact C-N 3.28Å; C88-E90 PolarHBondContact O-N 3.18Å | ||
| 89 | K | 74.4 | Confident | 74 | Confident | 181 Ų | 181 | 62 Ų | 62 | 79% | 0.787 | 31% | 0.313 | S | S | * | . | trans | -65.5 | -35 | 176.5 | -72.8 | -175.4 | 177.1 | 179.7 | 0 | 111.8 | T85 N87 | T85-K89 PolarHBondContact OG1-N 3.36Å; N87-K89 VanDerWaalsContact C-N 3.26Å; N87-K89 PolarHBondContact O-N 2.68Å | ||
| 90 | E | 75.9 | Confident | 73.9 | Confident | 127 Ų | 127 | 60.7 Ų | 60.7 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -108.8 | 111 | 175.5 | -71.7 | 179.1 | -175.8 | 0 | 0 | 108.9 | A84 C88 | A84-E90 HydrophobicContact CB-CB 4.24Å; A84-E90 PolarHBondContact N-O 2.92Å; C88-E90 VanDerWaalsContact C-N 3.28Å; C88-E90 PolarHBondContact O-N 3.18Å |
| 91 | K | 78.9 | Confident | 73.9 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.3 | 178.9 | -63.1 | -172.4 | 177.7 | -162.8 | 0 | 109.9 | Y81 A82 | Y81-K91 HydrophobicContact CD1-CD 4.15Å; Y81-K91 HydrophobicContact CD2-CB 3.9Å; Y81-K91 HydrophobicContact CD2-CD 3.69Å; Y81-K91 HydrophobicContact CD2-CG 3.71Å; Y81-K91 HydrophobicContact CE1-CD 4Å; Y81-K91 HydrophobicContact CE2-CD 3.57Å; Y81-K91 HydrophobicContact CE2-CG 3.87Å; Y81-K91 HydrophobicContact CG-CB 4.16Å; Y81-K91 HydrophobicContact CG-CD 4.01Å; Y81-K91 HydrophobicContact CG-CG 4.29Å; Y81-K91 PolarHBondContact OH-NZ 3.09Å; A82-K91 WeakPolarHBondContact O-CA 3.41Å |
| 92 | I | 78 | Confident | 74.1 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.7 | 174 | -58.3 | 174.4 | 0 | 0 | 0 | 107.4 | Y81 A82 A84 D97 L98 I101 F114 | Y81-I92 CarbonylContact C-O 3.58Å; Y81-I92 WeakPolarHBondContact CA-O 3.1Å; Y81-I92 WeakPolarHBondContact CB-O 3.46Å; A82-I92 PolarHBondContact N-O 3.3Å; A82-I92 PolarHBondContact O-N 3.32Å; A84-I92 HydrophobicContact CB-CD1 4.3Å; I92-D97 HydrophobicContact CG2-CB 4.2Å; I92-L98 HydrophobicContact CB-CD1 4.48Å; I92-L98 HydrophobicContact CG2-CB 4.06Å; I92-L98 HydrophobicContact CG2-CD1 4.01Å; I92-I101 HydrophobicContact CD1-CD1 4.13Å; I92-I101 HydrophobicContact CG2-CD1 3.74Å; I92-F114 HydrophobicContact CD1-CE1 3.79Å; I92-F114 HydrophobicContact CD1-CZ 4.12Å |
| 93 | K | 75.2 | Confident | 73.9 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 149 | -176.8 | -69.3 | -175.2 | 177.6 | -177.9 | 0 | 111.7 | L98 | K93-L98 WeakPolarHBondContact O-CB 2.85Å; K93-L98 PolarHBondContact O-N 3.33Å |
| 94 | L | 70.5 | Confident | 73.8 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | I | π-helix | trans | -52.9 | -61.4 | -176 | 172.4 | 60.4 | 0 | 0 | 0 | 113 | Y77 S80 L98 W118 L204 | Y77-L94 HydrophobicContact CD1-CD2 4.21Å; Y77-L94 HydrophobicContact CD2-CD2 4.5Å; Y77-L94 HydrophobicContact CE1-CD2 3.63Å; Y77-L94 HydrophobicContact CE2-CD2 3.98Å; S80-L94 PolarHBondContact O-N 2.92Å; S80-L94 VanDerWaalsContact OG-CB 3.26Å; S80-L94 WeakPolarHBondContact OG-CB 3.4Å; S80-L94 VanDerWaalsContact OG-CD2 3.23Å; S80-L94 WeakPolarHBondContact OG-CD2 3.07Å; L94-L98 HydrophobicContact CD1-CD2 4.33Å; L94-L98 WeakPolarHBondContact O-CB 3.29Å; L94-L98 PolarHBondContact O-N 3.15Å; L94-W118 HydrophobicContact CD1-CZ2 4.02Å; L94-W118 HydrophobicContact CD2-CZ2 4.22Å; L94-L204 HydrophobicContact CD1-CD1 3.35Å |
| 95 | F | 62.4 | Low | 74.3 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -121.3 | 129.6 | -174.2 | -161.2 | -94.5 | 0 | 0 | 0 | 113.4 | I99 C277 P279 | F95-I99 HydrophobicContact CD2-CD1 3.76Å; F95-I99 HydrophobicContact CE2-CD1 4.1Å; F95-C277 WeakPolarHBondContact CE1-O 3.39Å; F95-P279 HydrophobicContact CE1-CG 4.12Å; F95-P279 HydrophobicContact CE2-CG 4.42Å; F95-P279 HydrophobicContact CZ-CG 3.65Å |
| 96 | P | 60.7 | Low | 74.5 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | I | π-helix | cis | -85.6 | -7.2 | -3.4 | 33.7 | -33.6 | 0 | 0 | 0 | 115 | L98 D100 | P96-L98 PolarHBondContact O-N 3.03Å; P96-D100 PolarHBondContact O-N 2.82Å |
| 97 | D | 70.3 | Confident | 75.3 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -68.6 | -39.4 | -158.3 | -47.1 | -39.3 | 0 | 0 | 0 | 115 | I92 I101 | I92-D97 HydrophobicContact CG2-CB 4.2Å; D97-I101 VanDerWaalsContact O-CD1 3.3Å; D97-I101 WeakPolarHBondContact O-CD1 3.42Å; D97-I101 VanDerWaalsContact O-CG1 3.24Å; D97-I101 WeakPolarHBondContact O-CG1 3.15Å; D97-I101 PolarHBondContact O-N 3.09Å |
| 98 | L | 77.3 | Confident | 76 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -72.4 | -40.7 | -176.7 | -175.4 | 59.7 | 0 | 0 | 0 | 112.9 | A82 I92 K93 L94 P96 D100 I101 M102 W118 L204 | A82-L98 HydrophobicContact CB-CD1 3.67Å; A82-L98 HydrophobicContact CB-CD2 3.67Å; A82-L98 HydrophobicContact CB-CG 4.32Å; I92-L98 HydrophobicContact CB-CD1 4.48Å; I92-L98 HydrophobicContact CG2-CB 4.06Å; I92-L98 HydrophobicContact CG2-CD1 4.01Å; K93-L98 WeakPolarHBondContact O-CB 2.85Å; K93-L98 PolarHBondContact O-N 3.33Å; L94-L98 HydrophobicContact CD1-CD2 4.33Å; L94-L98 WeakPolarHBondContact O-CB 3.29Å; L94-L98 PolarHBondContact O-N 3.15Å; P96-L98 PolarHBondContact O-N 3.03Å; L98-D100 VanDerWaalsContact C-N 3.29Å; L98-D100 PolarHBondContact O-N 2.83Å; L98-I101 PolarHBondContact O-N 2.8Å; L98-M102 HydrophobicContact CD1-CG 4.25Å; L98-M102 HydrophobicContact CD1-SD 4.47Å; L98-M102 HydrophobicContact CG-SD 4.34Å; L98-M102 PolarHBondContact O-N 3.23Å; L98-W118 HydrophobicContact CD2-CB 4.07Å; L98-W118 HydrophobicContact CD2-CG 3.96Å; L98-L204 HydrophobicContact CD2-CD1 4.06Å; L98-L204 HydrophobicContact CD2-CD2 3.93Å; L98-L204 HydrophobicContact CG-CD1 4.42Å; L98-L204 HydrophobicContact CG-CD2 4.41Å |
| 99 | I | 75.5 | Confident | 76.5 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 178.3 | -63.5 | -179.5 | 0 | 0 | 0 | 110.7 | F95 I101 P103 L204 W205 | F95-I99 HydrophobicContact CD2-CD1 3.76Å; F95-I99 HydrophobicContact CE2-CD1 4.1Å; I99-I101 VanDerWaalsContact C-N 3.31Å; I99-I101 PolarHBondContact O-N 3.15Å; I99-P103 WeakPolarHBondContact O-CD 3.37Å; I99-L204 HydrophobicContact CG1-CD1 4.11Å; I99-W205 HydrophobicContact CD1-CH2 3.82Å; I99-W205 HydrophobicContact CD1-CZ3 3.86Å |
| 100 | D | 70.3 | Confident | 77 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.8 | -21.5 | 179.8 | -75.5 | -14 | 0 | 0 | 0 | 113 | P96 L98 | P96-D100 PolarHBondContact O-N 2.82Å; L98-D100 VanDerWaalsContact C-N 3.29Å; L98-D100 PolarHBondContact O-N 2.83Å |
| 101 | I | 79 | Confident | 77.5 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 35% | 0.349 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -91.2 | -42.5 | -175.3 | -69.7 | 167.8 | 0 | 0 | 0 | 112.8 | I92 D97 L98 I99 P103 A104 V105 | I92-I101 HydrophobicContact CD1-CD1 4.13Å; I92-I101 HydrophobicContact CG2-CD1 3.74Å; D97-I101 VanDerWaalsContact O-CD1 3.3Å; D97-I101 WeakPolarHBondContact O-CD1 3.42Å; D97-I101 VanDerWaalsContact O-CG1 3.24Å; D97-I101 WeakPolarHBondContact O-CG1 3.15Å; D97-I101 PolarHBondContact O-N 3.09Å; L98-I101 PolarHBondContact O-N 2.8Å; I99-I101 VanDerWaalsContact C-N 3.31Å; I99-I101 PolarHBondContact O-N 3.15Å; I101-P103 VanDerWaalsContact C-CD 3.49Å; I101-A104 PolarHBondContact O-N 3.05Å; I101-A104 VanDerWaalsContact O-N 3.17Å; I101-V105 HydrophobicContact CG2-CG2 4.38Å |
| 102 | M | 83.5 | Confident | 77.8 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -55.3 | -42 | -171.5 | -73.3 | -178.5 | 67.4 | 0 | 0 | 115.2 | L98 A104 V105 L111 R202 L204 | L98-M102 HydrophobicContact CD1-CG 4.25Å; L98-M102 HydrophobicContact CD1-SD 4.47Å; L98-M102 HydrophobicContact CG-SD 4.34Å; L98-M102 PolarHBondContact O-N 3.23Å; M102-A104 PolarHBondContact O-N 2.89Å; M102-V105 PolarHBondContact O-N 3.38Å; M102-V105 VanDerWaalsContact O-N 3.08Å; M102-L111 HydrophobicContact CE-CD2 4.47Å; M102-R202 WeakPolarHBondContact CB-O 3.43Å; M102-L204 HydrophobicContact CE-CD2 4.16Å; M102-L204 HydrophobicContact SD-CD2 3.38Å; M102-L204 WeakPolarHBondContact SD-CD2 3.37Å; M102-L204 HydrophobicContact SD-CG 3.65Å |
| 103 | P | 80.8 | Confident | 78 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -57.6 | -24.3 | -179.7 | -28.5 | 37.2 | 0 | 0 | 0 | 114.9 | I99 I101 | I99-P103 WeakPolarHBondContact O-CD 3.37Å; I101-P103 VanDerWaalsContact C-CD 3.49Å |
| 104 | A | 78.8 | Confident | 78.5 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 72% | 0.719 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -87.5 | -4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I101 M102 | I101-A104 PolarHBondContact O-N 3.05Å; I101-A104 VanDerWaalsContact O-N 3.17Å; M102-A104 PolarHBondContact O-N 2.89Å |
| 105 | V | 84.2 | Confident | 79.2 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | trans | -96.6 | 124.9 | -173.2 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | I101 M102 L110 L111 F114 R202 | I101-V105 HydrophobicContact CG2-CG2 4.38Å; M102-V105 PolarHBondContact O-N 3.38Å; M102-V105 VanDerWaalsContact O-N 3.08Å; V105-L110 HydrophobicContact CG1-CB 4.29Å; V105-L110 HydrophobicContact CG1-CD2 3.91Å; V105-L110 HydrophobicContact CG1-CG 4.18Å; V105-L111 HydrophobicContact CB-CD2 3.88Å; V105-L111 HydrophobicContact CB-CG 4.18Å; V105-L111 HydrophobicContact CG1-CD2 4.06Å; V105-L111 HydrophobicContact CG1-CG 3.86Å; V105-F114 HydrophobicContact CG1-CE2 4.44Å; V105-F114 HydrophobicContact CG2-CE2 3.94Å; V105-R202 WeakPolarHBondContact O-CD 3.31Å; V105-R202 PolarHBondContact O-NE 3.36Å | ||
| 106 | E | 81.1 | Confident | 80.2 | Confident | 124 Ų | 124 | 48.2 Ų | 48.2 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | trans | -101.9 | -16.8 | 179.3 | -53.8 | -143.1 | 114.8 | 0 | 0 | 114.3 | Q108 K187 R202 | E106-Q108 PolarHBondContact O-N 3.03Å; E106-K187 IonicContact OE1-NZ 2.94Å; E106-R202 IonicContact OE1-CZ 2.65Å; E106-R202 IonicContact OE1-NH1 3.8Å; E106-R202 IonicContact OE1-NH2 3.81Å; E106-R202 PolarHBondContact OE1-NH2 2.98Å | ||
| 107 | D | 83.5 | Confident | 81.3 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | trans | -74.5 | 117.7 | -178.6 | -176 | -41.9 | 0 | 0 | 0 | 110.7 | E109 L110 L111 | D107-E109 PolarHBondContact O-N 3.41Å; D107-E109 PolarHBondContact OD1-N 3.15Å; D107-L110 HydrophobicContact CB-CB 3.88Å; D107-L110 PolarHBondContact O-N 3.45Å; D107-L110 PolarHBondContact OD1-N 2.87Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.22Å; D107-L111 PolarHBondContact O-N 2.7Å | ||
| 108 | Q | 84 | Confident | 82 | Confident | 61 Ų | 61 | 45 Ų | 45 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -41.4 | -178.4 | 179.2 | 178.4 | -9.3 | 0 | 0 | 112.6 | E106 A112 Y188 H199 L200 | E106-Q108 PolarHBondContact O-N 3.03Å; Q108-A112 WeakPolarHBondContact O-CB 3.37Å; Q108-A112 PolarHBondContact O-N 3.26Å; Q108-Y188 HydrophobicContact CB-CD1 4.21Å; Q108-Y188 HydrophobicContact CB-CE1 4.17Å; Q108-H199 WeakPolarHBondContact CG-NE2 3.17Å; Q108-H199 PolarHBondContact O-CD2 3.13Å; Q108-H199 VanDerWaalsContact O-CD2 3.27Å; Q108-L200 HydrophobicContact CB-CD2 4.46Å; Q108-L200 HydrophobicContact CG-CD2 3.73Å |
| 109 | E | 82.2 | Confident | 82.1 | Confident | 148 Ų | 148 | 45.3 Ų | 45.3 | 69% | 0.692 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -71.3 | -39.8 | -177.9 | -68.3 | -173.6 | 175 | 0 | 0 | 110.8 | D107 A112 K113 | D107-E109 PolarHBondContact O-N 3.41Å; D107-E109 PolarHBondContact OD1-N 3.15Å; E109-A112 PolarHBondContact O-N 3.16Å; E109-K113 WeakPolarHBondContact O-CB 3.37Å; E109-K113 PolarHBondContact O-N 3.25Å |
| 110 | L | 84.6 | Confident | 82.1 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.2 | -173.6 | 58.5 | 0 | 0 | 0 | 112 | V105 D107 K113 F114 | V105-L110 HydrophobicContact CG1-CB 4.29Å; V105-L110 HydrophobicContact CG1-CD2 3.91Å; V105-L110 HydrophobicContact CG1-CG 4.18Å; D107-L110 HydrophobicContact CB-CB 3.88Å; D107-L110 PolarHBondContact O-N 3.45Å; D107-L110 PolarHBondContact OD1-N 2.87Å; L110-K113 WeakPolarHBondContact O-CB 3.26Å; L110-K113 PolarHBondContact O-N 2.94Å; L110-F114 HydrophobicContact CD1-CE1 4.24Å; L110-F114 HydrophobicContact CD1-CE2 4.12Å; L110-F114 HydrophobicContact CD1-CZ 3.91Å; L110-F114 HydrophobicContact CD2-CE2 4.08Å; L110-F114 HydrophobicContact CD2-CZ 4.24Å; L110-F114 HydrophobicContact CG-CD2 4.23Å; L110-F114 HydrophobicContact CG-CE2 3.71Å; L110-F114 HydrophobicContact CG-CZ 3.97Å; L110-F114 PolarHBondContact O-N 3Å |
| 111 | L | 86.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 174 | -78.2 | 168.1 | 0 | 0 | 0 | 111.8 | M102 V105 D107 K113 F114 W115 H199 R202 | M102-L111 HydrophobicContact CE-CD2 4.47Å; V105-L111 HydrophobicContact CB-CD2 3.88Å; V105-L111 HydrophobicContact CB-CG 4.18Å; V105-L111 HydrophobicContact CG1-CD2 4.06Å; V105-L111 HydrophobicContact CG1-CG 3.86Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.22Å; D107-L111 PolarHBondContact O-N 2.7Å; L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.06Å; L111-F114 PolarHBondContact O-N 3.16Å; L111-W115 PolarHBondContact O-N 3.42Å; L111-W115 VanDerWaalsContact O-N 3.16Å; L111-H199 HydrophobicContact CB-CB 4.1Å; L111-R202 HydrophobicContact CD1-CG 4.05Å; L111-R202 HydrophobicContact CD2-CB 4.43Å; L111-R202 HydrophobicContact CD2-CG 4.3Å |
| 112 | A | 84.5 | Confident | 82.5 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q108 E109 W115 L116 H199 P424 L426 | Q108-A112 WeakPolarHBondContact O-CB 3.37Å; Q108-A112 PolarHBondContact O-N 3.26Å; E109-A112 PolarHBondContact O-N 3.16Å; A112-W115 PolarHBondContact O-N 2.9Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 WeakPolarHBondContact O-CG 2.99Å; A112-L116 PolarHBondContact O-N 3.09Å; A112-H199 PolarHBondContact N-CD2 3.23Å; A112-P424 HydrophobicContact CB-CB 4Å; A112-P424 HydrophobicContact CB-CG 4.39Å; A112-L426 HydrophobicContact CB-CD1 4.29Å |
| 113 | K | 83.6 | Confident | 82 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 178.6 | -174.1 | 176 | -179.3 | 169.8 | 0 | 113.6 | T85 D86 E109 L110 L111 W115 L116 S117 | T85-K113 VanDerWaalsContact C-CE 3.45Å; T85-K113 VanDerWaalsContact C-NZ 3.35Å; D86-K113 VanDerWaalsContact OD1-CE 3.23Å; D86-K113 WeakPolarHBondContact OD1-CE 3.4Å; D86-K113 IonicContact OD1-NZ 3.94Å; D86-K113 PolarHBondContact OD1-NZ 3.26Å; D86-K113 IonicContact OD2-NZ 3.59Å; D86-K113 PolarHBondContact OD2-NZ 2.99Å; E109-K113 WeakPolarHBondContact O-CB 3.37Å; E109-K113 PolarHBondContact O-N 3.25Å; L110-K113 WeakPolarHBondContact O-CB 3.26Å; L110-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.06Å; K113-W115 VanDerWaalsContact C-N 3.29Å; K113-W115 PolarHBondContact O-N 2.6Å; K113-L116 PolarHBondContact O-N 3.03Å; K113-S117 VanDerWaalsContact O-CB 3.31Å; K113-S117 WeakPolarHBondContact O-CB 3.24Å; K113-S117 PolarHBondContact O-N 3.13Å; K113-S117 PolarHBondContact O-OG 3.37Å |
| 114 | F | 86.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 174.4 | -74.8 | -37.3 | 0 | 0 | 0 | 111.3 | A82 A84 I92 V105 L110 L111 S117 W118 | A82-F114 HydrophobicContact CB-CD1 4.43Å; A84-F114 HydrophobicContact CB-CE1 3.82Å; A84-F114 HydrophobicContact CB-CZ 4.39Å; I92-F114 HydrophobicContact CD1-CE1 3.79Å; I92-F114 HydrophobicContact CD1-CZ 4.12Å; V105-F114 HydrophobicContact CG1-CE2 4.44Å; V105-F114 HydrophobicContact CG2-CE2 3.94Å; L110-F114 HydrophobicContact CD1-CE1 4.24Å; L110-F114 HydrophobicContact CD1-CE2 4.12Å; L110-F114 HydrophobicContact CD1-CZ 3.91Å; L110-F114 HydrophobicContact CD2-CE2 4.08Å; L110-F114 HydrophobicContact CD2-CZ 4.24Å; L110-F114 HydrophobicContact CG-CD2 4.23Å; L110-F114 HydrophobicContact CG-CE2 3.71Å; L110-F114 HydrophobicContact CG-CZ 3.97Å; L110-F114 PolarHBondContact O-N 3Å; L111-F114 PolarHBondContact O-N 3.16Å; F114-S117 PolarHBondContact O-OG 3.39Å; F114-W118 WeakPolarHBondContact O-CB 3.46Å; F114-W118 PolarHBondContact O-N 2.98Å; F114-W118 VanDerWaalsContact O-N 3.14Å |
| 115 | W | 85.3 | Confident | 81.3 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 5% | 0.045 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.1 | -50.8 | -179.9 | -165 | 86 | 0 | 0 | 0 | 112.1 | L111 A112 K113 S117 W118 S119 I198 H199 L204 P423 P424 I432 | L111-W115 PolarHBondContact O-N 3.42Å; L111-W115 VanDerWaalsContact O-N 3.16Å; A112-W115 PolarHBondContact O-N 2.9Å; K113-W115 VanDerWaalsContact C-N 3.29Å; K113-W115 PolarHBondContact O-N 2.6Å; W115-S117 PolarHBondContact O-N 3.16Å; W115-W118 PolarHBondContact O-N 3.14Å; W115-S119 PolarHBondContact O-N 3.28Å; W115-S119 VanDerWaalsContact O-N 3.12Å; W115-S119 PolarHBondContact O-OG 3.37Å; W115-S119 VanDerWaalsContact O-OG 3.07Å; W115-I198 HydrophobicContact CD2-CG2 3.92Å; W115-I198 HydrophobicContact CE3-CG2 4.33Å; W115-I198 HydrophobicContact CG-CG2 4.36Å; W115-I198 HydrophobicContact CH2-CG2 4.42Å; W115-I198 HydrophobicContact CZ2-CD1 4.21Å; W115-I198 HydrophobicContact CZ2-CG2 4.02Å; W115-H199 HydrophobicContact CB-CB 4.4Å; W115-L204 PolarHBondContact NE1-O 3.12Å; W115-P423 HydrophobicContact CH2-CB 4.43Å; W115-P423 HydrophobicContact CZ3-CB 4.33Å; W115-P424 HydrophobicContact CD2-CG 4.41Å; W115-P424 VanDerWaalsContact CE3-CD 3.49Å; W115-P424 HydrophobicContact CE3-CG 3.74Å; W115-P424 HydrophobicContact CZ3-CG 4.28Å; W115-I432 HydrophobicContact CE3-CD1 4.44Å; W115-I432 HydrophobicContact CH2-CD1 4.44Å; W115-I432 HydrophobicContact CH2-CG2 4.32Å; W115-I432 HydrophobicContact CZ3-CD1 3.72Å |
| 116 | L | 82.6 | Confident | 81 | Confident | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.199 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | -179.2 | -70.3 | 170.8 | 0 | 0 | 0 | 112.6 | A112 K113 S120 P424 L426 I432 | A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 WeakPolarHBondContact O-CG 2.99Å; A112-L116 PolarHBondContact O-N 3.09Å; K113-L116 PolarHBondContact O-N 3.03Å; L116-S120 PolarHBondContact O-N 3.35Å; L116-P424 HydrophobicContact CD2-CG 4.38Å; L116-P424 HydrophobicContact CG-CG 4.35Å; L116-L426 HydrophobicContact CD1-CB 4.06Å; L116-I432 HydrophobicContact CD2-CD1 3.41Å; L116-I432 VanDerWaalsContact CD2-CD1 3.41Å |
| 117 | S | 82.8 | Confident | 80.7 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.3 | -45.4 | -179.7 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | C83 K113 F114 W115 S119 S120 | C83-S117 PolarHBondContact N-OG 2.69Å; K113-S117 VanDerWaalsContact O-CB 3.31Å; K113-S117 WeakPolarHBondContact O-CB 3.24Å; K113-S117 PolarHBondContact O-N 3.13Å; K113-S117 PolarHBondContact O-OG 3.37Å; F114-S117 PolarHBondContact O-OG 3.39Å; W115-S117 PolarHBondContact O-N 3.16Å; S117-S119 PolarHBondContact O-N 3.44Å; S117-S120 PolarHBondContact O-N 2.62Å; S117-S120 PolarHBondContact O-OG 3.24Å |
| 118 | W | 85 | Confident | 80.4 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 177.4 | 168.5 | 67.4 | 0 | 0 | 0 | 112.4 | Y77 S80 Y81 A82 L94 L98 F114 W115 S120 E121 L122 L204 W205 S436 | Y77-W118 HydrophobicContact CE2-CZ2 4.36Å; S80-W118 PolarHBondContact OG-NE1 3.27Å; Y81-W118 WeakPolarHBondContact O-CA 2.82Å; A82-W118 HydrophobicContact CB-CB 3.96Å; L94-W118 HydrophobicContact CD1-CZ2 4.02Å; L94-W118 HydrophobicContact CD2-CZ2 4.22Å; L98-W118 HydrophobicContact CD2-CB 4.07Å; L98-W118 HydrophobicContact CD2-CG 3.96Å; F114-W118 WeakPolarHBondContact O-CB 3.46Å; F114-W118 PolarHBondContact O-N 2.98Å; F114-W118 VanDerWaalsContact O-N 3.14Å; W115-W118 PolarHBondContact O-N 3.14Å; W118-S120 PolarHBondContact O-N 2.92Å; W118-E121 PolarHBondContact O-N 3.38Å; W118-L122 HydrophobicContact CH2-CD1 4.04Å; W118-L122 HydrophobicContact CZ2-CD1 3.66Å; W118-L204 HydrophobicContact CD2-CD2 4.07Å; W118-L204 HydrophobicContact CE3-CD2 3.78Å; W118-L204 HydrophobicContact CZ2-CD1 4.42Å; W118-L204 HydrophobicContact CZ3-CB 4.36Å; W118-L204 HydrophobicContact CZ3-CD2 4.19Å; W118-W205 HydrophobicContact CH2-CZ2 4.25Å; W118-W205 AromaticContact CH2-NE1 3.69Å; W118-W205 HydrophobicContact CZ2-CZ2 4.3Å; W118-S436 WeakPolarHBondContact CH2-O 2.98Å |
| 119 | S | 79.2 | Confident | 80.3 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.2 | -23.6 | -176.1 | -51.9 | 0 | 0 | 0 | 0 | 113 | W115 S117 E121 | W115-S119 PolarHBondContact O-N 3.28Å; W115-S119 VanDerWaalsContact O-N 3.12Å; W115-S119 PolarHBondContact O-OG 3.37Å; W115-S119 VanDerWaalsContact O-OG 3.07Å; S117-S119 PolarHBondContact O-N 3.44Å; S119-E121 VanDerWaalsContact C-N 3.32Å |
| 120 | S | 75.8 | Confident | 80.1 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 52% | 0.517 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69 | -26.9 | 173.6 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | L116 S117 W118 L122 | L116-S120 PolarHBondContact O-N 3.35Å; S117-S120 PolarHBondContact O-N 2.62Å; S117-S120 PolarHBondContact O-OG 3.24Å; W118-S120 PolarHBondContact O-N 2.92Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 2.96Å |
| 121 | E | 78 | Confident | 79.7 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 34% | 0.341 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.4 | -178 | -67.8 | -70.6 | 157.2 | 0 | 0 | 113.5 | Y81 W118 S119 K123 | Y81-E121 HydrophobicContact CD2-CG 4.28Å; Y81-E121 HydrophobicContact CE1-CG 4.3Å; Y81-E121 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E121 WeakPolarHBondContact CE1-OE2 3.45Å; Y81-E121 HydrophobicContact CE2-CG 3.92Å; Y81-E121 WeakPolarHBondContact CE2-OE1 3.22Å; Y81-E121 WeakPolarHBondContact O-CG 3.47Å; Y81-E121 PolarHBondContact OH-OE1 3.05Å; Y81-E121 PolarHBondContact OH-OE2 3.03Å; W118-E121 PolarHBondContact O-N 3.38Å; S119-E121 VanDerWaalsContact C-N 3.32Å; E121-K123 VanDerWaalsContact C-N 3.3Å; E121-K123 PolarHBondContact O-N 2.75Å |
| 122 | L | 79.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0.1 | -178.2 | -68.6 | 177.3 | 0 | 0 | 0 | 114.4 | Y77 W118 S120 D124 A125 N126 S436 | Y77-L122 HydrophobicContact CD2-CD2 3.65Å; Y77-L122 HydrophobicContact CE2-CD1 4.35Å; Y77-L122 HydrophobicContact CE2-CD2 4.17Å; W118-L122 HydrophobicContact CH2-CD1 4.04Å; W118-L122 HydrophobicContact CZ2-CD1 3.66Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 2.96Å; L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 3.29Å; L122-D124 VanDerWaalsContact O-N 3.14Å; L122-A125 PolarHBondContact O-N 3.04Å; L122-N126 PolarHBondContact O-N 3.49Å; L122-N126 PolarHBondContact O-ND2 2.64Å; L122-N126 PolarHBondContact O-OD1 3.07Å; L122-S436 VanDerWaalsContact CD1-CB 3.46Å; L122-S436 WeakPolarHBondContact CD1-OG 3.34Å |
| 123 | K | 73 | Confident | 79.1 | Confident | 166 Ų | 166 | 35.6 Ų | 35.6 | 72% | 0.722 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -50.3 | -42.5 | -174.5 | -169.5 | 178.9 | 179 | -178.2 | 0 | 113.9 | E121 N126 G127 | E121-K123 VanDerWaalsContact C-N 3.3Å; E121-K123 PolarHBondContact O-N 2.75Å; K123-N126 PolarHBondContact O-N 3.07Å; K123-G127 PolarHBondContact O-N 3.13Å |
| 124 | D | 70.9 | Confident | 78.7 | Confident | 118 Ų | 118 | 35.2 Ų | 35.2 | 63% | 0.631 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -73.3 | -36 | -179.4 | -66.5 | -17.8 | 0 | 0 | 0 | 112.8 | L122 N126 N128 | L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 3.29Å; L122-D124 VanDerWaalsContact O-N 3.14Å; D124-N126 PolarHBondContact O-N 3Å; D124-N128 PolarHBondContact O-N 3.25Å |
| 125 | A | 74.7 | Confident | 78.2 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.8 | -35.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N76 L122 F129 Y441 | N76-A125 HydrophobicContact CB-CB 3.82Å; L122-A125 PolarHBondContact O-N 3.04Å; A125-F129 PolarHBondContact O-N 2.7Å; A125-F129 VanDerWaalsContact O-N 3.16Å; A125-Y441 HydrophobicContact CB-CD1 4Å; A125-Y441 HydrophobicContact CB-CE1 3.54Å |
| 126 | N | 77 | Confident | 77.7 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.2 | -41.2 | 179.5 | -63.9 | -21 | 0 | 0 | 0 | 112.4 | L122 K123 D124 N128 F129 L130 F433 Y441 | L122-N126 PolarHBondContact O-N 3.49Å; L122-N126 PolarHBondContact O-ND2 2.64Å; L122-N126 PolarHBondContact O-OD1 3.07Å; K123-N126 PolarHBondContact O-N 3.07Å; D124-N126 PolarHBondContact O-N 3Å; N126-N128 VanDerWaalsContact C-N 3.35Å; N126-N128 PolarHBondContact O-N 3.46Å; N126-F129 WeakPolarHBondContact O-CB 3.31Å; N126-F129 PolarHBondContact O-N 3.16Å; N126-F129 VanDerWaalsContact O-N 3.13Å; N126-L130 WeakPolarHBondContact O-CG 3.23Å; N126-L130 PolarHBondContact O-N 2.55Å; N126-F433 HydrophobicContact CB-CB 4.4Å; N126-F433 HydrophobicContact CB-CD1 3.49Å; N126-F433 VanDerWaalsContact CB-CD1 3.49Å; N126-F433 HydrophobicContact CB-CD2 3.59Å; N126-F433 HydrophobicContact CB-CE1 3.51Å; N126-F433 HydrophobicContact CB-CE2 3.68Å; N126-F433 HydrophobicContact CB-CG 3.55Å; N126-F433 HydrophobicContact CB-CZ 3.64Å; N126-F433 WeakPolarHBondContact ND2-CB 3.33Å; N126-F433 WeakPolarHBondContact ND2-CD1 3.5Å; N126-F433 WeakPolarHBondContact ND2-CG 3.14Å; N126-F433 WeakPolarHBondContact OD1-CD1 3.44Å; N126-F433 WeakPolarHBondContact OD1-CE1 3.34Å; N126-Y441 PolarHBondContact OD1-OH 3.29Å |
| 127 | G | 76 | Confident | 77.1 | Confident | 34 Ų | 34 | 35 Ų | 35 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K123 F129 L130 D131 | K123-G127 PolarHBondContact O-N 3.13Å; G127-F129 VanDerWaalsContact C-N 3.26Å; G127-F129 PolarHBondContact O-N 3.47Å; G127-L130 PolarHBondContact O-N 3.46Å; G127-D131 PolarHBondContact O-N 3.04Å; G127-D131 VanDerWaalsContact O-N 3.14Å |
| 128 | N | 77.4 | Confident | 76.4 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -30.8 | 176.5 | -69.5 | -12 | 0 | 0 | 0 | 113 | S72 M73 N76 D124 N126 F132 | S72-N128 WeakPolarHBondContact CB-ND2 3.47Å; S72-N128 PolarHBondContact OG-ND2 3.26Å; M73-N128 HydrophobicContact CG-CB 3.6Å; N76-N128 PolarHBondContact ND2-ND2 3.25Å; D124-N128 PolarHBondContact O-N 3.25Å; N126-N128 VanDerWaalsContact C-N 3.35Å; N126-N128 PolarHBondContact O-N 3.46Å; N128-F132 WeakPolarHBondContact O-CB 3.43Å; N128-F132 PolarHBondContact O-N 3.32Å |
| 129 | F | 81.7 | Confident | 75.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 175.6 | 176.9 | -103.3 | 0 | 0 | 0 | 112.6 | M73 A125 N126 G127 F132 V133 W393 L397 F433 I440 | M73-F129 HydrophobicContact CG-CB 4.43Å; M73-F129 WeakPolarHBondContact SD-CA 3.28Å; M73-F129 HydrophobicContact SD-CB 3.47Å; M73-F129 WeakPolarHBondContact SD-CB 3.5Å; M73-F129 HydrophobicContact SD-CD2 3.7Å; M73-F129 HydrophobicContact SD-CG 4.08Å; A125-F129 PolarHBondContact O-N 2.7Å; A125-F129 VanDerWaalsContact O-N 3.16Å; N126-F129 WeakPolarHBondContact O-CB 3.31Å; N126-F129 PolarHBondContact O-N 3.16Å; N126-F129 VanDerWaalsContact O-N 3.13Å; G127-F129 VanDerWaalsContact C-N 3.26Å; G127-F129 PolarHBondContact O-N 3.47Å; F129-F132 WeakPolarHBondContact O-CB 3.48Å; F129-F132 PolarHBondContact O-N 3.13Å; F129-V133 HydrophobicContact CD1-CG2 4.29Å; F129-V133 HydrophobicContact CD2-CG2 4.37Å; F129-V133 HydrophobicContact CE1-CG2 3.85Å; F129-V133 HydrophobicContact CE2-CG2 3.93Å; F129-V133 HydrophobicContact CZ-CG2 3.66Å; F129-V133 VanDerWaalsContact O-CG2 3.28Å; F129-V133 WeakPolarHBondContact O-CG2 3.48Å; F129-V133 PolarHBondContact O-N 3.43Å; F129-W393 HydrophobicContact CD1-CH2 4.47Å; F129-W393 AromaticContact CE1-CH2 3.47Å; F129-W393 HydrophobicContact CE1-CH2 3.47Å; F129-W393 VanDerWaalsContact CE1-CH2 3.47Å; F129-W393 HydrophobicContact CE1-CZ2 4.4Å; F129-W393 HydrophobicContact CE1-CZ3 4.13Å; F129-W393 AromaticContact CZ-CH2 3.8Å; F129-W393 HydrophobicContact CZ-CH2 3.8Å; F129-W393 AromaticContact CZ-CZ3 3.97Å; F129-W393 HydrophobicContact CZ-CZ3 3.97Å; F129-L397 HydrophobicContact CE1-CD2 3.33Å; F129-L397 HydrophobicContact CZ-CD2 3.33Å; F129-F433 HydrophobicContact CD1-CE1 4.33Å; F129-F433 HydrophobicContact CD1-CZ 4.11Å; F129-I440 HydrophobicContact CD1-CG2 4.29Å; F129-I440 HydrophobicContact CD2-CG2 3.63Å; F129-I440 HydrophobicContact CE1-CG2 4.03Å; F129-I440 HydrophobicContact CE2-CG2 3.34Å; F129-I440 HydrophobicContact CG-CG2 4.09Å; F129-I440 HydrophobicContact CZ-CG2 3.55Å |
| 130 | L | 77.6 | Confident | 74.4 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 174.2 | -63.7 | -174.8 | 0 | 0 | 0 | 111.3 | N126 G127 F132 V133 A134 E404 F433 | N126-L130 WeakPolarHBondContact O-CG 3.23Å; N126-L130 PolarHBondContact O-N 2.55Å; G127-L130 PolarHBondContact O-N 3.46Å; L130-F132 PolarHBondContact O-N 2.74Å; L130-V133 PolarHBondContact O-N 3.26Å; L130-V133 VanDerWaalsContact O-N 3.15Å; L130-A134 WeakPolarHBondContact O-CB 3.39Å; L130-A134 PolarHBondContact O-N 2.83Å; L130-E404 HydrophobicContact CD2-CB 3.75Å; L130-E404 HydrophobicContact CD2-CG 4.06Å; L130-E404 HydrophobicContact CG-CB 4.49Å; L130-F433 HydrophobicContact CD1-CE2 4.11Å; L130-F433 HydrophobicContact CD2-CE2 4.03Å; L130-F433 HydrophobicContact CD2-CZ 3.91Å; L130-F433 HydrophobicContact CG-CE2 4.08Å; L130-F433 HydrophobicContact CG-CZ 4.18Å |
| 131 | D | 77 | Confident | 73.2 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.6 | -38.3 | 173.8 | -85 | -11.8 | 0 | 0 | 0 | 112.8 | Q69 G127 L135 | Q69-D131 HydrophobicContact CG-CB 4.39Å; Q69-D131 PolarHBondContact NE2-OD2 3.43Å; G127-D131 PolarHBondContact O-N 3.04Å; G127-D131 VanDerWaalsContact O-N 3.14Å; D131-L135 WeakPolarHBondContact O-CB 3.45Å; D131-L135 PolarHBondContact O-N 3.48Å; D131-L135 VanDerWaalsContact O-N 3.13Å |
| 132 | F | 80.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -47 | 176.9 | 176.1 | -95.3 | 0 | 0 | 0 | 111.5 | Y66 Q69 K70 M73 N128 F129 L130 L135 V136 Y398 N443 | Y66-F132 HydrophobicContact CD2-CD2 4.17Å; Y66-F132 AromaticContact CD2-CE2 3.41Å; Y66-F132 HydrophobicContact CD2-CE2 3.41Å; Y66-F132 VanDerWaalsContact CD2-CE2 3.41Å; Y66-F132 AromaticContact CD2-CZ 3.99Å; Y66-F132 HydrophobicContact CD2-CZ 3.99Å; Y66-F132 HydrophobicContact CE1-CE2 4.49Å; Y66-F132 HydrophobicContact CE2-CD2 4.33Å; Y66-F132 AromaticContact CE2-CE2 3.2Å; Y66-F132 HydrophobicContact CE2-CE2 3.2Å; Y66-F132 AromaticContact CE2-CZ 3.33Å; Y66-F132 HydrophobicContact CE2-CZ 3.33Å; Y66-F132 HydrophobicContact CG-CE2 4.15Å; Y66-F132 AromaticContact CZ-CE2 3.8Å; Y66-F132 AromaticContact CZ-CZ 3.89Å; Q69-F132 HydrophobicContact CB-CB 4.11Å; Q69-F132 HydrophobicContact CB-CD2 4.22Å; K70-F132 HydrophobicContact CB-CE2 4.35Å; M73-F132 HydrophobicContact CE-CB 3.84Å; M73-F132 HydrophobicContact CE-CD1 4.11Å; M73-F132 HydrophobicContact CE-CD2 3.95Å; M73-F132 HydrophobicContact CE-CG 3.69Å; M73-F132 HydrophobicContact SD-CB 4.33Å; N128-F132 WeakPolarHBondContact O-CB 3.43Å; N128-F132 PolarHBondContact O-N 3.32Å; F129-F132 WeakPolarHBondContact O-CB 3.48Å; F129-F132 PolarHBondContact O-N 3.13Å; L130-F132 PolarHBondContact O-N 2.74Å; F132-L135 WeakPolarHBondContact O-CB 3.48Å; F132-L135 PolarHBondContact O-N 3.15Å; F132-V136 HydrophobicContact CD1-CG2 4.27Å; F132-V136 HydrophobicContact CD2-CG2 4.49Å; F132-V136 HydrophobicContact CE1-CG2 3.84Å; F132-V136 HydrophobicContact CE2-CG2 4.11Å; F132-V136 HydrophobicContact CZ-CG2 3.74Å; F132-V136 VanDerWaalsContact O-CG2 3.32Å; F132-V136 WeakPolarHBondContact O-CG2 3.17Å; F132-V136 PolarHBondContact O-N 2.91Å; F132-Y398 HydrophobicContact CE1-CE1 4.46Å; F132-N443 HydrophobicContact CE1-CB 4.17Å; F132-N443 HydrophobicContact CZ-CB 4.08Å; F132-N443 WeakPolarHBondContact CZ-ND2 3.47Å |
| 133 | V | 77.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | F129 L130 L135 V136 K137 L397 Y398 E404 | F129-V133 HydrophobicContact CD1-CG2 4.29Å; F129-V133 HydrophobicContact CD2-CG2 4.37Å; F129-V133 HydrophobicContact CE1-CG2 3.85Å; F129-V133 HydrophobicContact CE2-CG2 3.93Å; F129-V133 HydrophobicContact CZ-CG2 3.66Å; F129-V133 VanDerWaalsContact O-CG2 3.28Å; F129-V133 WeakPolarHBondContact O-CG2 3.48Å; F129-V133 PolarHBondContact O-N 3.43Å; L130-V133 PolarHBondContact O-N 3.26Å; L130-V133 VanDerWaalsContact O-N 3.15Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 3.23Å; V133-V136 PolarHBondContact O-N 3.13Å; V133-K137 HydrophobicContact CG1-CD 3.93Å; V133-K137 HydrophobicContact CG1-CG 4.36Å; V133-K137 WeakPolarHBondContact O-CB 3.48Å; V133-K137 WeakPolarHBondContact O-CG 3.32Å; V133-K137 PolarHBondContact O-N 3.28Å; V133-L397 HydrophobicContact CG1-CD1 4.3Å; V133-L397 HydrophobicContact CG1-CD2 4.4Å; V133-L397 HydrophobicContact CG1-CG 4.04Å; V133-L397 HydrophobicContact CG2-CD2 3.77Å; V133-L397 HydrophobicContact CG2-CG 4.31Å; V133-Y398 HydrophobicContact CG2-CE1 3.91Å; V133-E404 HydrophobicContact CG1-CG 4.3Å |
| 134 | A | 74.6 | Confident | 70.8 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.9 | -45.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L130 A138 E404 | L130-A134 WeakPolarHBondContact O-CB 3.39Å; L130-A134 PolarHBondContact O-N 2.83Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.47Å; A134-E404 VanDerWaalsContact CA-OE1 3.28Å; A134-E404 WeakPolarHBondContact CA-OE1 3.38Å; A134-E404 VanDerWaalsContact CB-OE1 3.29Å; A134-E404 WeakPolarHBondContact CB-OE1 3.17Å; A134-E404 PolarHBondContact N-OE1 3.1Å |
| 135 | L | 75.6 | Confident | 70.9 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 179.8 | -178.5 | 70.2 | 0 | 0 | 0 | 112.6 | D62 K65 D131 F132 V133 H139 | D62-L135 HydrophobicContact CB-CD1 4.03Å; K65-L135 VanDerWaalsContact C-CD2 3.5Å; K65-L135 HydrophobicContact CB-CD1 4.24Å; K65-L135 HydrophobicContact CB-CD2 3.8Å; K65-L135 HydrophobicContact CD-CD1 4.11Å; K65-L135 HydrophobicContact CG-CD1 4.41Å; K65-L135 HydrophobicContact CG-CD2 3.99Å; D131-L135 WeakPolarHBondContact O-CB 3.45Å; D131-L135 PolarHBondContact O-N 3.48Å; D131-L135 VanDerWaalsContact O-N 3.13Å; F132-L135 WeakPolarHBondContact O-CB 3.48Å; F132-L135 PolarHBondContact O-N 3.15Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 3.23Å; L135-H139 PolarHBondContact O-ND1 3.36Å |
| 136 | V | 74.6 | Confident | 71 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | -179.9 | 169.1 | 0 | 0 | 0 | 0 | 111 | Y66 F132 V133 H139 S140 Y145 | Y66-V136 HydrophobicContact CD2-CG2 3.71Å; Y66-V136 HydrophobicContact CE2-CG2 3.57Å; F132-V136 HydrophobicContact CD1-CG2 4.27Å; F132-V136 HydrophobicContact CD2-CG2 4.49Å; F132-V136 HydrophobicContact CE1-CG2 3.84Å; F132-V136 HydrophobicContact CE2-CG2 4.11Å; F132-V136 HydrophobicContact CZ-CG2 3.74Å; F132-V136 VanDerWaalsContact O-CG2 3.32Å; F132-V136 WeakPolarHBondContact O-CG2 3.17Å; F132-V136 PolarHBondContact O-N 2.91Å; V133-V136 PolarHBondContact O-N 3.13Å; V136-H139 PolarHBondContact O-N 2.95Å; V136-S140 PolarHBondContact O-N 3.46Å; V136-Y145 VanDerWaalsContact CG1-CB 3.49Å; V136-Y145 HydrophobicContact CG1-CD1 3.77Å; V136-Y145 HydrophobicContact CG1-CD2 3.21Å; V136-Y145 HydrophobicContact CG1-CE1 4.25Å; V136-Y145 HydrophobicContact CG1-CE2 3.75Å; V136-Y145 HydrophobicContact CG1-CG 3.2Å |
| 137 | K | 70.6 | Confident | 70.7 | Confident | 32 Ų | 32 | 38.4 Ų | 38.4 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 175.8 | -77.2 | 177.1 | 176.2 | -179.2 | 0 | 112.2 | V133 H139 S140 L397 N400 | V133-K137 HydrophobicContact CG1-CD 3.93Å; V133-K137 HydrophobicContact CG1-CG 4.36Å; V133-K137 WeakPolarHBondContact O-CB 3.48Å; V133-K137 WeakPolarHBondContact O-CG 3.32Å; V133-K137 PolarHBondContact O-N 3.28Å; K137-H139 PolarHBondContact O-N 2.71Å; K137-S140 PolarHBondContact O-N 3.45Å; K137-S140 PolarHBondContact O-OG 2.98Å; K137-L397 WeakPolarHBondContact CE-O 3.39Å; K137-L397 PolarHBondContact NZ-O 3.31Å; K137-N400 HydrophobicContact CD-CB 4.37Å; K137-N400 WeakPolarHBondContact CD-OD1 3.32Å; K137-N400 VanDerWaalsContact CE-OD1 3.23Å; K137-N400 WeakPolarHBondContact CE-OD1 3.48Å; K137-N400 PolarHBondContact NZ-OD1 2.84Å |
| 138 | A | 66.8 | Low | 70.3 | Confident | 75 Ų | 75 | 39 Ų | 39 | 62% | 0.62 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -56.8 | -22.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A134 | A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.47Å |
| 139 | H | 63.8 | Low | 70.1 | Confident | 40 Ų | 40 | 37.7 Ų | 37.7 | 19% | 0.185 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 12.8 | -172.7 | -67.2 | 99.6 | 0 | 0 | 0 | 114 | L58 D62 L135 V136 K137 V141 | L58-H139 HydrophobicContact CD1-CB 4.31Å; L58-H139 HydrophobicContact CD2-CB 3.19Å; L58-H139 WeakPolarHBondContact CD2-CD2 3.16Å; L58-H139 HydrophobicContact CG-CB 3.59Å; D62-H139 WeakPolarHBondContact CB-CE1 3.23Å; D62-H139 WeakPolarHBondContact CB-NE2 3.26Å; D62-H139 IonicContact OD1-CE1 2.73Å; D62-H139 PolarHBondContact OD1-CE1 3.03Å; D62-H139 VanDerWaalsContact OD1-CE1 3.3Å; D62-H139 IonicContact OD1-NE2 3.47Å; D62-H139 IonicContact OD2-CE1 3.89Å; D62-H139 IonicContact OD2-NE2 2.72Å; D62-H139 PolarHBondContact OD2-NE2 3.37Å; L135-H139 PolarHBondContact O-ND1 3.36Å; V136-H139 PolarHBondContact O-N 2.95Å; K137-H139 PolarHBondContact O-N 2.71Å; H139-V141 PolarHBondContact O-N 3.46Å |
| 140 | S | 58.1 | Low | 69.7 | Low | 20 Ų | 20 | 39.4 Ų | 39.4 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | trans | -76.4 | 113.8 | -174.4 | 71.8 | 0 | 0 | 0 | 0 | 116.1 | W56 V136 K137 E142 K143 N144 | W56-S140 VanDerWaalsContact CH2-CB 3.42Å; V136-S140 PolarHBondContact O-N 3.46Å; K137-S140 PolarHBondContact O-N 3.45Å; K137-S140 PolarHBondContact O-OG 2.98Å; S140-E142 VanDerWaalsContact C-N 3.31Å; S140-K143 WeakPolarHBondContact O-CA 3.36Å; S140-K143 PolarHBondContact O-N 3.25Å; S140-K143 VanDerWaalsContact OG-CA 3.27Å; S140-K143 WeakPolarHBondContact OG-CA 3.44Å; S140-K143 PolarHBondContact OG-O 3.26Å; S140-N144 PolarHBondContact OG-N 3.47Å | ||
| 141 | V | 51.3 | Low | 69.3 | Low | 63 Ų | 63 | 43.6 Ų | 43.6 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -37.4 | -179.5 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | V55 W56 H139 K143 | V55-V141 HydrophobicContact CG1-CG1 4.33Å; V55-V141 WeakPolarHBondContact O-CG2 3.3Å; W56-V141 HydrophobicContact CB-CG2 3.88Å; W56-V141 HydrophobicContact CD2-CB 3.89Å; W56-V141 HydrophobicContact CD2-CG2 3.75Å; W56-V141 HydrophobicContact CE3-CB 4.47Å; W56-V141 HydrophobicContact CE3-CG2 4.28Å; W56-V141 HydrophobicContact CG-CB 4.17Å; W56-V141 HydrophobicContact CG-CG2 3.69Å; W56-V141 HydrophobicContact CZ2-CB 4.24Å; H139-V141 PolarHBondContact O-N 3.46Å; V141-K143 PolarHBondContact O-N 2.57Å |
| 142 | E | 54.6 | Low | 68.8 | Low | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 8.3 | 174.8 | -62.4 | -85.2 | 167 | 0 | 0 | 111.8 | W56 S140 N144 K151 | W56-E142 HydrophobicContact CZ2-CB 4.28Å; W56-E142 HydrophobicContact CZ2-CG 4.04Å; S140-E142 VanDerWaalsContact C-N 3.31Å; E142-N144 PolarHBondContact O-N 3.24Å; E142-K151 IonicContact OE1-NZ 2.95Å; E142-K151 PolarHBondContact OE1-NZ 2.84Å; E142-K151 IonicContact OE2-NZ 3.76Å; E142-K151 PolarHBondContact OE2-NZ 2.98Å |
| 143 | K | 58.4 | Low | 68.3 | Low | 185 Ų | 185 | 42.9 Ų | 42.9 | 80% | 0.804 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 59.7 | -7.7 | -169.9 | -54.9 | 176.4 | 178.9 | 176.4 | 0 | 114.9 | S140 V141 | S140-K143 WeakPolarHBondContact O-CA 3.36Å; S140-K143 PolarHBondContact O-N 3.25Å; S140-K143 VanDerWaalsContact OG-CA 3.27Å; S140-K143 WeakPolarHBondContact OG-CA 3.44Å; S140-K143 PolarHBondContact OG-O 3.26Å; V141-K143 PolarHBondContact O-N 2.57Å |
| 144 | N | 67.9 | Low | 67.8 | Low | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | trans | -144.7 | 126.4 | -174.6 | 177.7 | -7.1 | 0 | 0 | 0 | 110.7 | S140 E142 Y146 T147 Y398 E399 | S140-N144 PolarHBondContact OG-N 3.47Å; E142-N144 PolarHBondContact O-N 3.24Å; N144-Y146 WeakPolarHBondContact OD1-CB 3.12Å; N144-Y146 PolarHBondContact OD1-N 3.29Å; N144-T147 WeakPolarHBondContact CB-OG1 3.44Å; N144-T147 VanDerWaalsContact CG-OG1 3.25Å; N144-T147 PolarHBondContact ND2-OG1 2.74Å; N144-T147 VanDerWaalsContact ND2-OG1 3.13Å; N144-Y398 PolarHBondContact OD1-O 3.2Å; N144-E399 VanDerWaalsContact ND2-CD 3.27Å; N144-E399 WeakPolarHBondContact ND2-CG 3.26Å; N144-E399 PolarHBondContact ND2-OE1 3.27Å; N144-E399 WeakPolarHBondContact OD1-CA 3.2Å; N144-E399 WeakPolarHBondContact OD1-CG 3.29Å | ||
| 145 | Y | 71.7 | Confident | 67.5 | Low | 23 Ų | 23 | 46.3 Ų | 46.3 | 9% | 0.09 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -79.9 | -26.7 | 179.6 | -174.5 | -108.1 | 0 | 0 | 0 | 113.6 | Y66 V136 T147 Y148 W149 Y398 N443 | Y66-Y145 PolarHBondContact OH-OH 3.32Å; V136-Y145 VanDerWaalsContact CG1-CB 3.49Å; V136-Y145 HydrophobicContact CG1-CD1 3.77Å; V136-Y145 HydrophobicContact CG1-CD2 3.21Å; V136-Y145 HydrophobicContact CG1-CE1 4.25Å; V136-Y145 HydrophobicContact CG1-CE2 3.75Å; V136-Y145 HydrophobicContact CG1-CG 3.2Å; Y145-T147 VanDerWaalsContact C-N 3.32Å; Y145-T147 PolarHBondContact O-N 3.15Å; Y145-Y148 HydrophobicContact CD2-CD1 4.41Å; Y145-Y148 HydrophobicContact CE2-CD1 4.02Å; Y145-Y148 HydrophobicContact CE2-CE1 4.46Å; Y145-Y148 WeakPolarHBondContact O-CB 3.08Å; Y145-Y148 PolarHBondContact O-N 3.01Å; Y145-W149 HydrophobicContact CD1-CZ2 4.48Å; Y145-W149 AromaticContact CE1-CE2 3.8Å; Y145-W149 AromaticContact CE1-CZ2 3.82Å; Y145-W149 HydrophobicContact CE1-CZ2 3.82Å; Y145-W149 AromaticContact CE1-NE1 3.78Å; Y145-Y398 AromaticContact CD1-CD1 3.67Å; Y145-Y398 HydrophobicContact CD1-CD1 3.67Å; Y145-Y398 HydrophobicContact CD1-CD2 4.43Å; Y145-Y398 AromaticContact CD1-CE1 3.93Å; Y145-Y398 HydrophobicContact CD1-CE1 3.93Å; Y145-Y398 AromaticContact CD1-CG 3.95Å; Y145-Y398 HydrophobicContact CD1-CG 3.95Å; Y145-Y398 HydrophobicContact CE1-CE1 4.36Å; Y145-Y398 HydrophobicContact CG-CD1 4.33Å; Y145-Y398 PolarHBondContact N-O 3.37Å; Y145-N443 PolarHBondContact OH-ND2 3.36Å |
| 146 | Y | 77.4 | Confident | 67 | Low | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -32.8 | 177.5 | -169.7 | -94.1 | 0 | 0 | 0 | 112.1 | N144 Y148 W149 E150 N391 K395 E399 | N144-Y146 WeakPolarHBondContact OD1-CB 3.12Å; N144-Y146 PolarHBondContact OD1-N 3.29Å; Y146-Y148 PolarHBondContact O-N 3.03Å; Y146-Y148 VanDerWaalsContact O-N 3.14Å; Y146-W149 AromaticContact CD2-CE3 3.65Å; Y146-W149 HydrophobicContact CD2-CE3 3.65Å; Y146-W149 HydrophobicContact CD2-CZ3 4.25Å; Y146-W149 AromaticContact CE2-CE3 3.95Å; Y146-W149 HydrophobicContact CE2-CE3 3.95Å; Y146-W149 CarbonylContact O-C 3.53Å; Y146-W149 WeakPolarHBondContact O-CA 3.42Å; Y146-W149 WeakPolarHBondContact O-CB 3.21Å; Y146-W149 PolarHBondContact O-N 3.41Å; Y146-E150 HydrophobicContact CD1-CG 3.72Å; Y146-E150 HydrophobicContact CE1-CG 3.47Å; Y146-E150 VanDerWaalsContact CE1-CG 3.47Å; Y146-E150 VanDerWaalsContact CE1-OE1 3.28Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.22Å; Y146-E150 PolarHBondContact O-N 3.27Å; Y146-N391 PolarHBondContact OH-ND2 2.96Å; Y146-N391 PolarHBondContact OH-OD1 3.16Å; Y146-K395 HydrophobicContact CD1-CB 4.17Å; Y146-K395 HydrophobicContact CD1-CD 3.84Å; Y146-K395 HydrophobicContact CD1-CG 3.6Å; Y146-K395 VanDerWaalsContact CD2-CA 3.43Å; Y146-K395 HydrophobicContact CD2-CB 3.77Å; Y146-K395 HydrophobicContact CD2-CG 4.1Å; Y146-K395 HydrophobicContact CE1-CB 4.01Å; Y146-K395 HydrophobicContact CE1-CD 3.43Å; Y146-K395 VanDerWaalsContact CE1-CD 3.43Å; Y146-K395 HydrophobicContact CE1-CG 3.61Å; Y146-K395 HydrophobicContact CE2-CB 3.56Å; Y146-K395 HydrophobicContact CE2-CG 4.09Å; Y146-K395 HydrophobicContact CG-CB 4.06Å; Y146-K395 HydrophobicContact CG-CG 3.86Å; Y146-E399 HydrophobicContact CD1-CG 4.47Å; Y146-E399 HydrophobicContact CG-CG 4.33Å |
| 147 | T | 70.5 | Confident | 66.9 | Low | 30 Ų | 30 | 53.6 Ų | 53.6 | 18% | 0.184 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -30.5 | 174.1 | -52.7 | 0 | 0 | 0 | 0 | 112 | N144 Y145 E150 K151 | N144-T147 WeakPolarHBondContact CB-OG1 3.44Å; N144-T147 VanDerWaalsContact CG-OG1 3.25Å; N144-T147 PolarHBondContact ND2-OG1 2.74Å; N144-T147 VanDerWaalsContact ND2-OG1 3.13Å; Y145-T147 VanDerWaalsContact C-N 3.32Å; Y145-T147 PolarHBondContact O-N 3.15Å; T147-E150 PolarHBondContact O-N 3.28Å; T147-K151 WeakPolarHBondContact O-CG 3.36Å; T147-K151 PolarHBondContact O-N 3.5Å |
| 148 | Y | 69 | Low | 67.3 | Low | 45 Ų | 45 | 52 Ų | 52 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 172.8 | 153.8 | -110.8 | 0 | 0 | 0 | 111.9 | F53 Y145 Y146 E150 K151 L152 | F53-Y148 HydrophobicContact CD1-CE2 4.34Å; F53-Y148 AromaticContact CE1-CD2 3.59Å; F53-Y148 HydrophobicContact CE1-CD2 3.59Å; F53-Y148 HydrophobicContact CE1-CE1 4.08Å; F53-Y148 AromaticContact CE1-CE2 3.04Å; F53-Y148 HydrophobicContact CE1-CE2 3.04Å; F53-Y148 HydrophobicContact CE1-CG 4.32Å; F53-Y148 AromaticContact CE1-CZ 3.31Å; F53-Y148 HydrophobicContact CZ-CD2 4.18Å; F53-Y148 HydrophobicContact CZ-CE1 4.14Å; F53-Y148 AromaticContact CZ-CE2 3.18Å; F53-Y148 HydrophobicContact CZ-CE2 3.18Å; F53-Y148 AromaticContact CZ-CZ 3.13Å; F53-Y148 WeakPolarHBondContact CZ-OH 3.24Å; Y145-Y148 HydrophobicContact CD2-CD1 4.41Å; Y145-Y148 HydrophobicContact CE2-CD1 4.02Å; Y145-Y148 HydrophobicContact CE2-CE1 4.46Å; Y145-Y148 WeakPolarHBondContact O-CB 3.08Å; Y145-Y148 PolarHBondContact O-N 3.01Å; Y146-Y148 PolarHBondContact O-N 3.03Å; Y146-Y148 VanDerWaalsContact O-N 3.14Å; Y148-E150 VanDerWaalsContact C-N 3.28Å; Y148-E150 PolarHBondContact O-N 3.25Å; Y148-K151 PolarHBondContact O-N 3Å; Y148-L152 HydrophobicContact CD2-CD1 4.2Å; Y148-L152 HydrophobicContact CD2-CG 4.2Å; Y148-L152 HydrophobicContact CE1-CD1 3.88Å; Y148-L152 HydrophobicContact CE2-CD1 3.38Å; Y148-L152 HydrophobicContact CE2-CD2 3.85Å; Y148-L152 HydrophobicContact CE2-CG 3.56Å; Y148-L152 WeakPolarHBondContact O-CG 2.91Å; Y148-L152 PolarHBondContact O-N 3.12Å; Y148-L152 VanDerWaalsContact O-N 3.16Å; Y148-L152 WeakPolarHBondContact OH-CD1 3.39Å |
| 149 | W | 72.9 | Confident | 67.8 | Low | 6 Ų | 6 | 49.7 Ų | 49.7 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 172.7 | -68.4 | -13.3 | 0 | 0 | 0 | 112.6 | Y145 Y146 L152 Y153 Q394 Y398 N443 P445 Y447 | Y145-W149 HydrophobicContact CD1-CZ2 4.48Å; Y145-W149 AromaticContact CE1-CE2 3.8Å; Y145-W149 AromaticContact CE1-CZ2 3.82Å; Y145-W149 HydrophobicContact CE1-CZ2 3.82Å; Y145-W149 AromaticContact CE1-NE1 3.78Å; Y146-W149 AromaticContact CD2-CE3 3.65Å; Y146-W149 HydrophobicContact CD2-CE3 3.65Å; Y146-W149 HydrophobicContact CD2-CZ3 4.25Å; Y146-W149 AromaticContact CE2-CE3 3.95Å; Y146-W149 HydrophobicContact CE2-CE3 3.95Å; Y146-W149 CarbonylContact O-C 3.53Å; Y146-W149 WeakPolarHBondContact O-CA 3.42Å; Y146-W149 WeakPolarHBondContact O-CB 3.21Å; Y146-W149 PolarHBondContact O-N 3.41Å; W149-L152 WeakPolarHBondContact O-CB 3.46Å; W149-L152 PolarHBondContact O-N 3.35Å; W149-Y153 PolarHBondContact O-N 3.37Å; W149-Q394 HydrophobicContact CZ3-CB 4.04Å; W149-Q394 HydrophobicContact CZ3-CG 4.47Å; W149-Y398 HydrophobicContact CE3-CD2 4.49Å; W149-Y398 AromaticContact CH2-CD2 3.83Å; W149-Y398 HydrophobicContact CH2-CD2 3.83Å; W149-Y398 AromaticContact CH2-CE2 3.35Å; W149-Y398 HydrophobicContact CH2-CE2 3.35Å; W149-Y398 HydrophobicContact CZ2-CE2 4.14Å; W149-Y398 AromaticContact CZ3-CD2 3.75Å; W149-Y398 HydrophobicContact CZ3-CD2 3.75Å; W149-Y398 AromaticContact CZ3-CE2 3.74Å; W149-Y398 HydrophobicContact CZ3-CE2 3.74Å; W149-N443 WeakPolarHBondContact CZ2-OD1 3.41Å; W149-P445 HydrophobicContact CD2-CB 3.83Å; W149-P445 HydrophobicContact CD2-CG 4.37Å; W149-P445 HydrophobicContact CE3-CB 3.71Å; W149-P445 HydrophobicContact CG-CB 4.27Å; W149-P445 HydrophobicContact CH2-CB 4.4Å; W149-P445 HydrophobicContact CZ3-CB 3.99Å; W149-Y447 HydrophobicContact CB-CE1 4.28Å; W149-Y447 PolarHBondContact O-OH 3.08Å |
| 150 | E | 72.2 | Confident | 68.5 | Low | 37 Ų | 37 | 53 Ų | 53 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 173.2 | -72.9 | -177.4 | 155.2 | 0 | 0 | 112 | Y146 T147 Y148 L152 Y153 L158 K395 | Y146-E150 HydrophobicContact CD1-CG 3.72Å; Y146-E150 HydrophobicContact CE1-CG 3.47Å; Y146-E150 VanDerWaalsContact CE1-CG 3.47Å; Y146-E150 VanDerWaalsContact CE1-OE1 3.28Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.22Å; Y146-E150 PolarHBondContact O-N 3.27Å; T147-E150 PolarHBondContact O-N 3.28Å; Y148-E150 VanDerWaalsContact C-N 3.28Å; Y148-E150 PolarHBondContact O-N 3.25Å; E150-L152 PolarHBondContact O-N 3.43Å; E150-Y153 WeakPolarHBondContact O-CB 3.28Å; E150-Y153 PolarHBondContact O-N 2.75Å; E150-L158 HydrophobicContact CB-CD2 4.48Å; E150-L158 HydrophobicContact CG-CB 4.17Å; E150-L158 HydrophobicContact CG-CD2 3.94Å; E150-K395 IonicContact OE1-NZ 3.63Å; E150-K395 PolarHBondContact OE1-NZ 3.12Å |
| 151 | K | 68.6 | Low | 69.8 | Low | 125 Ų | 125 | 52.6 Ų | 52.6 | 54% | 0.543 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -33.2 | 177.1 | -74.8 | -178.8 | -176.5 | -176.7 | 0 | 112.4 | E142 T147 Y148 Y153 E154 | E142-K151 IonicContact OE1-NZ 2.95Å; E142-K151 PolarHBondContact OE1-NZ 2.84Å; E142-K151 IonicContact OE2-NZ 3.76Å; E142-K151 PolarHBondContact OE2-NZ 2.98Å; T147-K151 WeakPolarHBondContact O-CG 3.36Å; T147-K151 PolarHBondContact O-N 3.5Å; Y148-K151 PolarHBondContact O-N 3Å; K151-Y153 VanDerWaalsContact C-N 3.28Å; K151-Y153 PolarHBondContact O-N 3Å; K151-E154 PolarHBondContact O-N 3Å |
| 152 | L | 66.9 | Low | 71.4 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 28% | 0.277 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.2 | -22.1 | 176.4 | -71.4 | 170.2 | 0 | 0 | 0 | 114.3 | Y148 W149 E150 E154 V331 | Y148-L152 HydrophobicContact CD2-CD1 4.2Å; Y148-L152 HydrophobicContact CD2-CG 4.2Å; Y148-L152 HydrophobicContact CE1-CD1 3.88Å; Y148-L152 HydrophobicContact CE2-CD1 3.38Å; Y148-L152 HydrophobicContact CE2-CD2 3.85Å; Y148-L152 HydrophobicContact CE2-CG 3.56Å; Y148-L152 WeakPolarHBondContact O-CG 2.91Å; Y148-L152 PolarHBondContact O-N 3.12Å; Y148-L152 VanDerWaalsContact O-N 3.16Å; Y148-L152 WeakPolarHBondContact OH-CD1 3.39Å; W149-L152 WeakPolarHBondContact O-CB 3.46Å; W149-L152 PolarHBondContact O-N 3.35Å; E150-L152 PolarHBondContact O-N 3.43Å; L152-E154 PolarHBondContact O-N 2.89Å; L152-V331 HydrophobicContact CB-CG1 3.65Å; L152-V331 HydrophobicContact CD1-CG1 3.6Å; L152-V331 HydrophobicContact CD2-CG1 4.07Å; L152-V331 HydrophobicContact CG-CG1 3.97Å |
| 153 | Y | 71.6 | Confident | 72.8 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -1.6 | 173.5 | 179.5 | -115.1 | 0 | 0 | 0 | 112.2 | W149 E150 K151 S155 L158 D161 Y447 F451 W500 | W149-Y153 PolarHBondContact O-N 3.37Å; E150-Y153 WeakPolarHBondContact O-CB 3.28Å; E150-Y153 PolarHBondContact O-N 2.75Å; K151-Y153 VanDerWaalsContact C-N 3.28Å; K151-Y153 PolarHBondContact O-N 3Å; Y153-S155 VanDerWaalsContact CD1-CB 3.43Å; Y153-S155 VanDerWaalsContact CE1-CB 3.48Å; Y153-S155 VanDerWaalsContact CE1-OG 3.29Å; Y153-S155 WeakPolarHBondContact CE1-OG 3.48Å; Y153-S155 PolarHBondContact O-N 3.02Å; Y153-L158 HydrophobicContact CD1-CB 3.43Å; Y153-L158 VanDerWaalsContact CD1-CB 3.43Å; Y153-L158 HydrophobicContact CD1-CD1 3.68Å; Y153-L158 HydrophobicContact CD1-CG 4.08Å; Y153-L158 HydrophobicContact CD2-CD1 3.82Å; Y153-L158 HydrophobicContact CE1-CB 3.99Å; Y153-L158 HydrophobicContact CE1-CD1 3.94Å; Y153-L158 HydrophobicContact CE2-CD1 4.09Å; Y153-L158 HydrophobicContact CG-CB 3.99Å; Y153-L158 HydrophobicContact CG-CD1 3.61Å; Y153-L158 HydrophobicContact CG-CD2 4.5Å; Y153-L158 HydrophobicContact CG-CG 4.22Å; Y153-D161 HydrophobicContact CE1-CB 4.4Å; Y153-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y153-D161 WeakPolarHBondContact CE1-OD2 3.34Å; Y153-D161 PolarHBondContact OH-OD2 3.36Å; Y153-Y447 HydrophobicContact CD2-CD2 4.25Å; Y153-Y447 AromaticContact CD2-CE2 3.95Å; Y153-Y447 HydrophobicContact CD2-CE2 3.95Å; Y153-Y447 HydrophobicContact CG-CE2 4.43Å; Y153-F451 HydrophobicContact CD2-CE2 4.41Å; Y153-F451 HydrophobicContact CE1-CZ 4.4Å; Y153-F451 HydrophobicContact CE2-CD2 4.11Å; Y153-F451 HydrophobicContact CE2-CE1 4.15Å; Y153-F451 AromaticContact CE2-CE2 3.72Å; Y153-F451 HydrophobicContact CE2-CE2 3.72Å; Y153-F451 AromaticContact CE2-CZ 3.74Å; Y153-F451 HydrophobicContact CE2-CZ 3.74Å; Y153-F451 AromaticContact CZ-CE1 3.94Å; Y153-F451 AromaticContact CZ-CE2 3.97Å; Y153-F451 AromaticContact CZ-CZ 3.53Å; Y153-F451 WeakPolarHBondContact OH-CE1 3.45Å; Y153-F451 WeakPolarHBondContact OH-CZ 3.48Å; Y153-W500 HydrophobicContact CD2-CZ2 4.41Å; Y153-W500 HydrophobicContact CE1-CZ2 4.2Å; Y153-W500 HydrophobicContact CE2-CH2 4.35Å; Y153-W500 AromaticContact CE2-CZ2 3.62Å; Y153-W500 HydrophobicContact CE2-CZ2 3.62Å; Y153-W500 AromaticContact CZ-CZ2 3.49Å; Y153-W500 VanDerWaalsContact CZ-CZ2 3.49Å; Y153-W500 PolarHBondContact O-NE1 3.19Å; Y153-W500 WeakPolarHBondContact OH-CZ2 3.43Å |
| 154 | E | 66.7 | Low | 74.1 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 11.3 | 179.7 | -57.6 | 178.5 | 166.8 | 0 | 0 | 113.8 | K151 L152 P499 W500 | K151-E154 PolarHBondContact O-N 3Å; L152-E154 PolarHBondContact O-N 2.89Å; E154-P499 WeakPolarHBondContact OE2-CA 3.39Å; E154-W500 PolarHBondContact OE2-N 2.79Å |
| 155 | S | 67.5 | Low | 75.1 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -137.7 | 125.3 | -179.2 | 148.6 | 0 | 0 | 0 | 0 | 107.4 | Y153 E157 | Y153-S155 VanDerWaalsContact CD1-CB 3.43Å; Y153-S155 VanDerWaalsContact CE1-CB 3.48Å; Y153-S155 VanDerWaalsContact CE1-OG 3.29Å; Y153-S155 WeakPolarHBondContact CE1-OG 3.48Å; Y153-S155 PolarHBondContact O-N 3.02Å; S155-E157 PolarHBondContact O-N 3.25Å; S155-E157 PolarHBondContact OG-N 3.31Å; S155-E157 VanDerWaalsContact OG-N 3.08Å |
| 156 | G | 66.2 | Low | 76 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 86% | 0.856 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 4.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 157 | E | 71.3 | Confident | 76.3 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 43% | 0.425 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 15.3 | -174.8 | -60.7 | -171.4 | 176.6 | 0 | 0 | 113 | S155 A159 N160 D161 K512 | S155-E157 PolarHBondContact O-N 3.25Å; S155-E157 PolarHBondContact OG-N 3.31Å; S155-E157 VanDerWaalsContact OG-N 3.08Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.31Å; E157-N160 HydrophobicContact CB-CB 4.38Å; E157-N160 CarbonylContact O-C 3.54Å; E157-N160 WeakPolarHBondContact O-CA 3.19Å; E157-N160 WeakPolarHBondContact O-CB 3.27Å; E157-N160 PolarHBondContact O-N 3.41Å; E157-D161 PolarHBondContact O-N 3.35Å; E157-K512 IonicContact OE2-NZ 3.74Å; E157-K512 PolarHBondContact OE2-NZ 3.06Å |
| 158 | L | 79.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -45.9 | -53.9 | -177.9 | 175.7 | 57.9 | 0 | 0 | 0 | 113.3 | E150 Y153 N160 D161 V162 Y447 F451 | E150-L158 HydrophobicContact CB-CD2 4.48Å; E150-L158 HydrophobicContact CG-CB 4.17Å; E150-L158 HydrophobicContact CG-CD2 3.94Å; Y153-L158 HydrophobicContact CD1-CB 3.43Å; Y153-L158 VanDerWaalsContact CD1-CB 3.43Å; Y153-L158 HydrophobicContact CD1-CD1 3.68Å; Y153-L158 HydrophobicContact CD1-CG 4.08Å; Y153-L158 HydrophobicContact CD2-CD1 3.82Å; Y153-L158 HydrophobicContact CE1-CB 3.99Å; Y153-L158 HydrophobicContact CE1-CD1 3.94Å; Y153-L158 HydrophobicContact CE2-CD1 4.09Å; Y153-L158 HydrophobicContact CG-CB 3.99Å; Y153-L158 HydrophobicContact CG-CD1 3.61Å; Y153-L158 HydrophobicContact CG-CD2 4.5Å; Y153-L158 HydrophobicContact CG-CG 4.22Å; L158-N160 VanDerWaalsContact C-N 3.29Å; L158-N160 PolarHBondContact O-N 2.94Å; L158-D161 PolarHBondContact O-N 3.3Å; L158-V162 HydrophobicContact CD1-CG2 3.93Å; L158-V162 WeakPolarHBondContact O-CB 3.39Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.32Å; L158-V162 PolarHBondContact O-N 3.43Å; L158-Y447 HydrophobicContact CD1-CD1 4.19Å; L158-Y447 HydrophobicContact CD1-CD2 3.53Å; L158-Y447 HydrophobicContact CD1-CE2 4.13Å; L158-Y447 HydrophobicContact CD1-CG 3.6Å; L158-Y447 HydrophobicContact CD2-CD1 3.6Å; L158-Y447 HydrophobicContact CD2-CD2 4.26Å; L158-Y447 HydrophobicContact CD2-CE1 3.76Å; L158-Y447 HydrophobicContact CD2-CE2 4.4Å; L158-Y447 HydrophobicContact CD2-CG 3.91Å; L158-Y447 HydrophobicContact CG-CD1 4.48Å; L158-Y447 HydrophobicContact CG-CG 4.34Å; L158-F451 HydrophobicContact CD1-CE2 3.53Å; L158-F451 HydrophobicContact CD1-CZ 4.08Å |
| 159 | A | 77 | Confident | 78.1 | Confident | 26 Ų | 26 | 44.6 Ų | 44.6 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -36.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E157 E163 | E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.31Å; A159-E163 WeakPolarHBondContact O-CB 3.27Å; A159-E163 PolarHBondContact O-N 3.48Å |
| 160 | N | 79.7 | Confident | 78.9 | Confident | 108 Ų | 108 | 44.3 Ų | 44.3 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71.3 | -42.3 | 177.5 | -67.3 | -17.9 | 0 | 0 | 0 | 111.4 | E157 L158 E163 K164 | E157-N160 HydrophobicContact CB-CB 4.38Å; E157-N160 CarbonylContact O-C 3.54Å; E157-N160 WeakPolarHBondContact O-CA 3.19Å; E157-N160 WeakPolarHBondContact O-CB 3.27Å; E157-N160 PolarHBondContact O-N 3.41Å; L158-N160 VanDerWaalsContact C-N 3.29Å; L158-N160 PolarHBondContact O-N 2.94Å; N160-E163 PolarHBondContact O-N 3.37Å; N160-K164 WeakPolarHBondContact O-CB 3.43Å; N160-K164 PolarHBondContact O-N 2.84Å |
| 161 | D | 83.8 | Confident | 79.7 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.6 | -74.9 | -18.6 | 0 | 0 | 0 | 110.4 | Y153 E157 L158 K164 L165 F451 K512 | Y153-D161 HydrophobicContact CE1-CB 4.4Å; Y153-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y153-D161 WeakPolarHBondContact CE1-OD2 3.34Å; Y153-D161 PolarHBondContact OH-OD2 3.36Å; E157-D161 PolarHBondContact O-N 3.35Å; L158-D161 PolarHBondContact O-N 3.3Å; D161-K164 PolarHBondContact O-N 3.03Å; D161-L165 WeakPolarHBondContact O-CB 3.26Å; D161-L165 VanDerWaalsContact O-CG 3.3Å; D161-L165 WeakPolarHBondContact O-CG 3.22Å; D161-L165 PolarHBondContact O-N 3.21Å; D161-F451 HydrophobicContact CB-CE1 4.08Å; D161-F451 HydrophobicContact CB-CZ 3.8Å; D161-K512 IonicContact OD1-NZ 2.93Å; D161-K512 PolarHBondContact OD1-NZ 3.22Å |
| 162 | V | 85.9 | Confident | 80.8 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | L158 K164 L165 W166 L450 F451 | L158-V162 HydrophobicContact CD1-CG2 3.93Å; L158-V162 WeakPolarHBondContact O-CB 3.39Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.32Å; L158-V162 PolarHBondContact O-N 3.43Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 2.96Å; V162-L165 PolarHBondContact O-N 3.5Å; V162-W166 PolarHBondContact O-N 3.32Å; V162-W166 VanDerWaalsContact O-N 3.12Å; V162-L450 HydrophobicContact CG1-CD1 3.92Å; V162-L450 HydrophobicContact CG1-CD2 4.42Å; V162-L450 HydrophobicContact CG2-CD2 4.4Å; V162-F451 HydrophobicContact CG2-CD2 4.46Å; V162-F451 HydrophobicContact CG2-CE2 3.44Å; V162-F451 VanDerWaalsContact CG2-CE2 3.44Å; V162-F451 HydrophobicContact CG2-CZ 3.69Å |
| 163 | E | 84.5 | Confident | 82 | Confident | 52 Ų | 52 | 36.1 Ų | 36.1 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | 179.9 | -166.4 | 65.1 | -164.2 | 0 | 0 | 111.7 | A159 N160 T167 H388 K392 | A159-E163 WeakPolarHBondContact O-CB 3.27Å; A159-E163 PolarHBondContact O-N 3.48Å; N160-E163 PolarHBondContact O-N 3.37Å; E163-T167 WeakPolarHBondContact O-CB 3.11Å; E163-T167 PolarHBondContact O-N 3.24Å; E163-T167 PolarHBondContact O-OG1 2.92Å; E163-H388 IonicContact OE1-NE2 3.17Å; E163-H388 IonicContact OE2-CD2 2.69Å; E163-H388 IonicContact OE2-CE1 3.92Å; E163-H388 IonicContact OE2-NE2 3.13Å; E163-H388 PolarHBondContact OE2-NE2 3.24Å; E163-K392 IonicContact OE1-NZ 3.27Å; E163-K392 PolarHBondContact OE1-NZ 3.41Å; E163-K392 WeakPolarHBondContact OE2-CE 3.5Å; E163-K392 IonicContact OE2-NZ 3.07Å; E163-K392 PolarHBondContact OE2-NZ 2.93Å; E163-K392 VanDerWaalsContact OE2-NZ 3.13Å |
| 164 | K | 85.6 | Confident | 82.8 | Confident | 125 Ų | 125 | 36 Ų | 36 | 54% | 0.543 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 176.5 | -177.7 | 177.6 | 180 | 179.5 | 0 | 111.8 | N160 D161 V162 W166 T167 D168 | N160-K164 WeakPolarHBondContact O-CB 3.43Å; N160-K164 PolarHBondContact O-N 2.84Å; D161-K164 PolarHBondContact O-N 3.03Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 2.96Å; K164-W166 PolarHBondContact O-N 3.17Å; K164-T167 VanDerWaalsContact O-CB 3.27Å; K164-T167 WeakPolarHBondContact O-CB 3.45Å; K164-T167 PolarHBondContact O-N 3.44Å; K164-D168 VanDerWaalsContact O-CG 3.24Å; K164-D168 PolarHBondContact O-N 2.99Å |
| 165 | L | 89.5 | Confident | 84 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.8 | -75.6 | 174.4 | 0 | 0 | 0 | 112 | D161 V162 D168 L169 L450 F451 F454 V513 A515 | D161-L165 WeakPolarHBondContact O-CB 3.26Å; D161-L165 VanDerWaalsContact O-CG 3.3Å; D161-L165 WeakPolarHBondContact O-CG 3.22Å; D161-L165 PolarHBondContact O-N 3.21Å; V162-L165 PolarHBondContact O-N 3.5Å; L165-D168 PolarHBondContact O-N 2.94Å; L165-L169 PolarHBondContact O-N 2.83Å; L165-L450 HydrophobicContact CD1-CD2 4.08Å; L165-F451 HydrophobicContact CD1-CD1 3.54Å; L165-F451 HydrophobicContact CD1-CE1 3.36Å; L165-F451 HydrophobicContact CD1-CZ 4.22Å; L165-F454 HydrophobicContact CB-CD2 4.05Å; L165-F454 HydrophobicContact CB-CE1 4.25Å; L165-F454 HydrophobicContact CB-CE2 3.64Å; L165-F454 HydrophobicContact CB-CZ 3.74Å; L165-F454 HydrophobicContact CD1-CD2 3.9Å; L165-F454 HydrophobicContact CD1-CE2 4.31Å; L165-F454 HydrophobicContact CD1-CG 4.25Å; L165-F454 HydrophobicContact CD2-CB 4.43Å; L165-F454 HydrophobicContact CD2-CD1 3.97Å; L165-F454 HydrophobicContact CD2-CD2 4.29Å; L165-F454 HydrophobicContact CD2-CE1 4.24Å; L165-F454 HydrophobicContact CD2-CG 3.98Å; L165-F454 HydrophobicContact CG-CD2 4.32Å; L165-F454 HydrophobicContact CG-CE2 4.4Å; L165-F454 HydrophobicContact CG-CG 4.5Å; L165-F454 VanDerWaalsContact O-CZ 3.26Å; L165-F454 WeakPolarHBondContact O-CZ 3.46Å; L165-V513 HydrophobicContact CD1-CB 4.4Å; L165-V513 HydrophobicContact CD1-CG1 4.23Å; L165-V513 HydrophobicContact CD2-CG1 4.41Å; L165-A515 HydrophobicContact CD2-CB 4.42Å |
| 166 | W | 89.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.9 | 177.2 | -119.3 | 0 | 0 | 0 | 112.1 | V162 K164 D168 L169 L170 Y173 I384 A385 H388 D418 | V162-W166 PolarHBondContact O-N 3.32Å; V162-W166 VanDerWaalsContact O-N 3.12Å; K164-W166 PolarHBondContact O-N 3.17Å; W166-D168 VanDerWaalsContact C-N 3.31Å; W166-D168 PolarHBondContact O-N 3.25Å; W166-L169 HydrophobicContact CE3-CB 4.49Å; W166-L169 HydrophobicContact CE3-CD2 4.25Å; W166-L169 HydrophobicContact CZ3-CD2 4.1Å; W166-L169 PolarHBondContact O-N 2.8Å; W166-L169 VanDerWaalsContact O-N 3.11Å; W166-L170 HydrophobicContact CH2-CD1 4.37Å; W166-L170 HydrophobicContact CZ2-CD1 3.72Å; W166-L170 WeakPolarHBondContact O-CB 3.34Å; W166-L170 PolarHBondContact O-N 3Å; W166-Y173 AromaticContact CH2-CD1 3.63Å; W166-Y173 HydrophobicContact CH2-CD1 3.63Å; W166-Y173 HydrophobicContact CH2-CD2 4.3Å; W166-Y173 HydrophobicContact CH2-CE1 4.09Å; W166-Y173 AromaticContact CH2-CG 3.76Å; W166-Y173 HydrophobicContact CH2-CG 3.76Å; W166-Y173 HydrophobicContact CZ2-CD1 4.17Å; W166-Y173 HydrophobicContact CZ3-CG 4.43Å; W166-I384 HydrophobicContact CE3-CG2 3.9Å; W166-I384 HydrophobicContact CZ3-CG2 4.24Å; W166-A385 HydrophobicContact CE3-CB 4.5Å; W166-A385 HydrophobicContact CH2-CB 3.18Å; W166-A385 HydrophobicContact CZ2-CB 4Å; W166-A385 HydrophobicContact CZ3-CB 3.48Å; W166-A385 VanDerWaalsContact CZ3-CB 3.48Å; W166-H388 HydrophobicContact CB-CB 4.42Å; W166-H388 WeakPolarHBondContact CB-CD2 3.47Å; W166-H388 AromaticContact CD1-CD2 3.84Å; W166-H388 AromaticContact CD1-CE1 3.13Å; W166-H388 AromaticContact CD1-CG 3.88Å; W166-H388 AromaticContact CD1-ND1 3.5Å; W166-H388 AromaticContact CD1-NE2 3.37Å; W166-H388 HydrophobicContact CD2-CB 4.42Å; W166-H388 HydrophobicContact CG-CB 4.33Å; W166-H388 AromaticContact CG-CD2 3.62Å; W166-H388 AromaticContact CG-CE1 3.67Å; W166-H388 AromaticContact CG-CG 3.64Å; W166-H388 AromaticContact CG-ND1 3.71Å; W166-H388 AromaticContact CG-NE2 3.64Å; W166-H388 AromaticContact NE1-CE1 3.59Å; W166-H388 AromaticContact NE1-ND1 3.69Å; W166-D418 WeakPolarHBondContact CZ2-O 3.1Å |
| 167 | T | 85 | Confident | 86.5 | Confident | 31 Ų | 31 | 26.8 Ų | 26.8 | 19% | 0.19 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -51.4 | -47.5 | 173.6 | -80.4 | 0 | 0 | 0 | 0 | 112.5 | E163 K164 L169 T548 | E163-T167 WeakPolarHBondContact O-CB 3.11Å; E163-T167 PolarHBondContact O-N 3.24Å; E163-T167 PolarHBondContact O-OG1 2.92Å; K164-T167 VanDerWaalsContact O-CB 3.27Å; K164-T167 WeakPolarHBondContact O-CB 3.45Å; K164-T167 PolarHBondContact O-N 3.44Å; T167-L169 VanDerWaalsContact C-N 3.29Å; T167-L169 PolarHBondContact O-N 3.31Å; T167-T548 HydrophobicContact CG2-CG2 3.1Å; T167-T548 WeakPolarHBondContact OG1-CG2 3.4Å |
| 168 | D | 86.7 | Confident | 87.4 | Confident | 61 Ų | 61 | 22.4 Ų | 22.4 | 33% | 0.326 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -67.7 | -32.1 | -178.8 | -68.6 | -19.4 | 0 | 0 | 0 | 111.7 | K164 L165 W166 A515 | K164-D168 VanDerWaalsContact O-CG 3.24Å; K164-D168 PolarHBondContact O-N 2.99Å; L165-D168 PolarHBondContact O-N 2.94Å; W166-D168 VanDerWaalsContact C-N 3.31Å; W166-D168 PolarHBondContact O-N 3.25Å; D168-A515 HydrophobicContact CB-CB 3.6Å |
| 169 | L | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -82.2 | -31.7 | -179.6 | -171.3 | 62.4 | 0 | 0 | 0 | 114 | L165 W166 T167 P171 L172 Y173 L381 I384 F454 L518 L519 | L165-L169 PolarHBondContact O-N 2.83Å; W166-L169 HydrophobicContact CE3-CB 4.49Å; W166-L169 HydrophobicContact CE3-CD2 4.25Å; W166-L169 HydrophobicContact CZ3-CD2 4.1Å; W166-L169 PolarHBondContact O-N 2.8Å; W166-L169 VanDerWaalsContact O-N 3.11Å; T167-L169 VanDerWaalsContact C-N 3.29Å; T167-L169 PolarHBondContact O-N 3.31Å; L169-P171 VanDerWaalsContact C-CD 3.42Å; L169-L172 HydrophobicContact CD1-CD2 4.32Å; L169-L172 PolarHBondContact O-N 3.28Å; L169-Y173 PolarHBondContact O-N 2.91Å; L169-L381 HydrophobicContact CD1-CD2 3.59Å; L169-L381 HydrophobicContact CD2-CD2 4.06Å; L169-L381 HydrophobicContact CG-CD2 4.15Å; L169-I384 HydrophobicContact CD2-CB 3.77Å; L169-I384 HydrophobicContact CD2-CD1 3.4Å; L169-I384 VanDerWaalsContact CD2-CD1 3.4Å; L169-I384 HydrophobicContact CD2-CG1 4.17Å; L169-I384 HydrophobicContact CD2-CG2 3.57Å; L169-F454 HydrophobicContact CB-CE1 4.24Å; L169-F454 HydrophobicContact CB-CZ 4.09Å; L169-F454 HydrophobicContact CD2-CE1 4.34Å; L169-F454 HydrophobicContact CD2-CZ 3.94Å; L169-L518 HydrophobicContact CD1-CD1 4.44Å; L169-L518 HydrophobicContact CD1-CD2 3.34Å; L169-L519 HydrophobicContact CD1-CD2 4.28Å |
| 170 | L | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -51 | -42.4 | -168.1 | 179 | 61.7 | 0 | 0 | 0 | 114.1 | W166 L172 Y173 E174 W542 P546 L550 | W166-L170 HydrophobicContact CH2-CD1 4.37Å; W166-L170 HydrophobicContact CZ2-CD1 3.72Å; W166-L170 WeakPolarHBondContact O-CB 3.34Å; W166-L170 PolarHBondContact O-N 3Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 2.9Å; L170-Y173 HydrophobicContact CD1-CD1 4.35Å; L170-Y173 PolarHBondContact O-N 3.15Å; L170-Y173 VanDerWaalsContact O-N 3.11Å; L170-E174 HydrophobicContact CD1-CG 3.8Å; L170-E174 HydrophobicContact CG-CG 4.13Å; L170-E174 WeakPolarHBondContact O-CG 3.46Å; L170-E174 PolarHBondContact O-N 3.26Å; L170-W542 HydrophobicContact CD1-CH2 4.29Å; L170-W542 HydrophobicContact CD1-CZ2 4.39Å; L170-P546 HydrophobicContact CD2-CB 3.66Å; L170-P546 HydrophobicContact CD2-CG 3.49Å; L170-P546 VanDerWaalsContact CD2-CG 3.49Å; L170-L550 HydrophobicContact CB-CD2 4.38Å; L170-L550 HydrophobicContact CD2-CD1 3.73Å; L170-L550 HydrophobicContact CD2-CD2 3.58Å; L170-L550 HydrophobicContact CD2-CG 4.24Å; L170-L550 HydrophobicContact CG-CD2 3.74Å |
| 171 | P | 88.2 | Confident | 89 | Confident | 40 Ų | 40 | 16.3 Ų | 16.3 | 26% | 0.26 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 177.5 | -26.2 | 35.4 | 0 | 0 | 0 | 113.6 | L169 E174 E175 L550 | L169-P171 VanDerWaalsContact C-CD 3.42Å; P171-E174 PolarHBondContact O-N 2.93Å; P171-E175 WeakPolarHBondContact O-CG 3.33Å; P171-E175 PolarHBondContact O-N 3.09Å; P171-L550 HydrophobicContact CG-CD2 4.37Å |
| 172 | L | 91.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.6 | 172.4 | 60 | 0 | 0 | 0 | 111.2 | L169 L170 E175 L176 L381 L519 F522 Y526 L529 | L169-L172 HydrophobicContact CD1-CD2 4.32Å; L169-L172 PolarHBondContact O-N 3.28Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 2.9Å; L172-E175 PolarHBondContact O-N 3.24Å; L172-L176 PolarHBondContact O-N 2.54Å; L172-L381 HydrophobicContact CD1-CD1 4.5Å; L172-L381 HydrophobicContact CD2-CD1 3.99Å; L172-L381 HydrophobicContact CD2-CD2 4.05Å; L172-L381 HydrophobicContact CG-CD1 3.8Å; L172-L519 HydrophobicContact CB-CD2 4.4Å; L172-L519 HydrophobicContact CD2-CD2 4.31Å; L172-F522 HydrophobicContact CD2-CB 3.58Å; L172-F522 HydrophobicContact CD2-CD2 3.95Å; L172-F522 HydrophobicContact CD2-CG 3.96Å; L172-Y526 HydrophobicContact CB-CD2 4.2Å; L172-Y526 HydrophobicContact CD1-CD2 3.71Å; L172-Y526 HydrophobicContact CD1-CG 4.16Å; L172-L529 HydrophobicContact CD1-CD1 4.47Å |
| 173 | Y | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.7 | -179.9 | -100.3 | 0 | 0 | 0 | 112.1 | W166 L169 L170 L176 H177 W209 L381 A385 Y419 W542 | W166-Y173 AromaticContact CH2-CD1 3.63Å; W166-Y173 HydrophobicContact CH2-CD1 3.63Å; W166-Y173 HydrophobicContact CH2-CD2 4.3Å; W166-Y173 HydrophobicContact CH2-CE1 4.09Å; W166-Y173 AromaticContact CH2-CG 3.76Å; W166-Y173 HydrophobicContact CH2-CG 3.76Å; W166-Y173 HydrophobicContact CZ2-CD1 4.17Å; W166-Y173 HydrophobicContact CZ3-CG 4.43Å; L169-Y173 PolarHBondContact O-N 2.91Å; L170-Y173 HydrophobicContact CD1-CD1 4.35Å; L170-Y173 PolarHBondContact O-N 3.15Å; L170-Y173 VanDerWaalsContact O-N 3.11Å; Y173-L176 WeakPolarHBondContact O-CB 3.33Å; Y173-L176 PolarHBondContact O-N 3.3Å; Y173-H177 HydrophobicContact CE1-CB 4.48Å; Y173-H177 WeakPolarHBondContact O-CB 3.36Å; Y173-H177 PolarHBondContact O-N 3.12Å; Y173-W209 AromaticContact CE2-CH2 3.99Å; Y173-W209 HydrophobicContact CE2-CH2 3.99Å; Y173-W209 HydrophobicContact CE2-CZ2 4.13Å; Y173-W209 WeakPolarHBondContact OH-CZ2 3.39Å; Y173-L381 HydrophobicContact CD2-CB 4.04Å; Y173-A385 HydrophobicContact CD2-CB 4.49Å; Y173-A385 HydrophobicContact CE2-CB 4.05Å; Y173-Y419 PolarHBondContact OH-O 3.31Å; Y173-Y419 VanDerWaalsContact OH-O 3.13Å; Y173-W542 AromaticContact CD1-CH2 3.59Å; Y173-W542 HydrophobicContact CD1-CH2 3.59Å; Y173-W542 HydrophobicContact CD1-CZ2 4.36Å; Y173-W542 HydrophobicContact CD1-CZ3 4.4Å; Y173-W542 AromaticContact CE1-CH2 3.43Å; Y173-W542 HydrophobicContact CE1-CH2 3.43Å; Y173-W542 VanDerWaalsContact CE1-CH2 3.43Å; Y173-W542 HydrophobicContact CE1-CZ2 4.02Å; Y173-W542 HydrophobicContact CE1-CZ3 4.12Å |
| 174 | E | 89.5 | Confident | 89.4 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 178.2 | -74.6 | -176.5 | 162.6 | 0 | 0 | 113.2 | L170 P171 L176 H177 A178 W542 R554 | L170-E174 HydrophobicContact CD1-CG 3.8Å; L170-E174 HydrophobicContact CG-CG 4.13Å; L170-E174 WeakPolarHBondContact O-CG 3.46Å; L170-E174 PolarHBondContact O-N 3.26Å; P171-E174 PolarHBondContact O-N 2.93Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-H177 PolarHBondContact O-N 3.21Å; E174-A178 VanDerWaalsContact O-CB 3.26Å; E174-A178 WeakPolarHBondContact O-CB 3.26Å; E174-A178 PolarHBondContact O-N 3.41Å; E174-W542 HydrophobicContact CG-CH2 3.84Å; E174-W542 HydrophobicContact CG-CZ3 4.05Å; E174-R554 IonicContact OE1-CZ 3.85Å; E174-R554 IonicContact OE1-NH1 3.74Å; E174-R554 PolarHBondContact OE1-NH1 2.98Å; E174-R554 IonicContact OE1-NH2 2.83Å; E174-R554 PolarHBondContact OE1-NH2 2.99Å; E174-R554 IonicContact OE2-CZ 3.95Å; E174-R554 IonicContact OE2-NH1 3.01Å; E174-R554 PolarHBondContact OE2-NH1 3.29Å |
| 175 | E | 91.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 171.9 | -68.1 | -55.9 | 155.5 | 0 | 0 | 111.4 | P171 L172 Y179 Y526 L529 N533 Y540 R551 | P171-E175 WeakPolarHBondContact O-CG 3.33Å; P171-E175 PolarHBondContact O-N 3.09Å; L172-E175 PolarHBondContact O-N 3.24Å; E175-Y179 VanDerWaalsContact O-CB 3.28Å; E175-Y179 WeakPolarHBondContact O-CB 3.2Å; E175-Y179 PolarHBondContact O-N 3.37Å; E175-Y179 VanDerWaalsContact O-N 3.07Å; E175-Y526 HydrophobicContact CG-CD2 3.97Å; E175-Y526 HydrophobicContact CG-CE2 3.56Å; E175-L529 HydrophobicContact CB-CB 3.8Å; E175-L529 HydrophobicContact CB-CD1 4.13Å; E175-N533 PolarHBondContact O-ND2 3.18Å; E175-N533 PolarHBondContact OE2-ND2 2.96Å; E175-Y540 WeakPolarHBondContact OE2-CE1 3.27Å; E175-R551 WeakPolarHBondContact OE1-CD 3.16Å; E175-R551 IonicContact OE1-CZ 3.17Å; E175-R551 IonicContact OE1-NE 2.74Å; E175-R551 IonicContact OE1-NH1 3.26Å; E175-R551 PolarHBondContact OE1-NH1 3.38Å; E175-R551 IonicContact OE2-NH1 2.77Å; E175-R551 PolarHBondContact OE2-NH1 2.96Å |
| 176 | L | 94.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.9 | -179.6 | 63.5 | 0 | 0 | 0 | 111.5 | L172 Y173 E174 A180 W209 M374 L378 L381 L529 | L172-L176 PolarHBondContact O-N 2.54Å; Y173-L176 WeakPolarHBondContact O-CB 3.33Å; Y173-L176 PolarHBondContact O-N 3.3Å; E174-L176 VanDerWaalsContact C-N 3.31Å; L176-A180 VanDerWaalsContact O-CB 3.31Å; L176-A180 WeakPolarHBondContact O-CB 3.31Å; L176-A180 PolarHBondContact O-N 3.13Å; L176-W209 HydrophobicContact CD2-CE3 4.37Å; L176-W209 HydrophobicContact CD2-CZ3 4.23Å; L176-W209 HydrophobicContact CG-CZ3 4.09Å; L176-M374 HydrophobicContact CD1-CE 4.29Å; L176-M374 HydrophobicContact CD1-SD 3.71Å; L176-L378 HydrophobicContact CD1-CD2 4.13Å; L176-L378 HydrophobicContact CD2-CD2 4.31Å; L176-L381 HydrophobicContact CD2-CB 4.41Å; L176-L381 HydrophobicContact CD2-CD1 3.86Å; L176-L529 HydrophobicContact CB-CD1 4.22Å |
| 177 | H | 92.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.3 | -47.7 | 177.3 | -178.9 | -72.1 | 0 | 0 | 0 | 111.7 | Y173 E174 Y179 A180 R181 G420 W542 | Y173-H177 HydrophobicContact CE1-CB 4.48Å; Y173-H177 WeakPolarHBondContact O-CB 3.36Å; Y173-H177 PolarHBondContact O-N 3.12Å; E174-H177 PolarHBondContact O-N 3.21Å; H177-Y179 VanDerWaalsContact C-N 3.29Å; H177-Y179 PolarHBondContact O-N 3.28Å; H177-A180 PolarHBondContact O-N 2.98Å; H177-R181 VanDerWaalsContact O-CB 3.26Å; H177-R181 WeakPolarHBondContact O-CB 3.47Å; H177-R181 PolarHBondContact O-N 3.06Å; H177-G420 PolarHBondContact NE2-O 3.25Å; H177-G420 VanDerWaalsContact NE2-O 3.12Å; H177-W542 HydrophobicContact CB-CE3 4.28Å; H177-W542 HydrophobicContact CB-CH2 4.45Å; H177-W542 HydrophobicContact CB-CZ3 3.59Å; H177-W542 AromaticContact CD2-CE3 3.5Å; H177-W542 AromaticContact CD2-CZ3 3.5Å; H177-W542 VanDerWaalsContact CD2-CZ3 3.5Å; H177-W542 WeakPolarHBondContact CD2-CZ3 3.47Å; H177-W542 AromaticContact CE1-CE3 3.35Å; H177-W542 AromaticContact CE1-CZ3 3.99Å; H177-W542 AromaticContact CG-CE3 3.5Å; H177-W542 AromaticContact CG-CZ3 3.3Å; H177-W542 AromaticContact ND1-CE3 3.42Å; H177-W542 AromaticContact ND1-CZ3 3.66Å; H177-W542 AromaticContact NE2-CE3 3.4Å; H177-W542 AromaticContact NE2-CZ3 3.92Å |
| 178 | A | 88.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E174 R182 Y540 | E174-A178 VanDerWaalsContact O-CB 3.26Å; E174-A178 WeakPolarHBondContact O-CB 3.26Å; E174-A178 PolarHBondContact O-N 3.41Å; A178-R182 WeakPolarHBondContact O-CB 3.28Å; A178-R182 PolarHBondContact O-N 3.18Å; A178-Y540 HydrophobicContact CB-CD1 3.98Å; A178-Y540 HydrophobicContact CB-CE1 4.34Å |
| 179 | Y | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 174.5 | 180 | -99.6 | 0 | 0 | 0 | 112 | E175 H177 R183 L216 M374 W528 L529 | E175-Y179 VanDerWaalsContact O-CB 3.28Å; E175-Y179 WeakPolarHBondContact O-CB 3.2Å; E175-Y179 PolarHBondContact O-N 3.37Å; E175-Y179 VanDerWaalsContact O-N 3.07Å; H177-Y179 VanDerWaalsContact C-N 3.29Å; H177-Y179 PolarHBondContact O-N 3.28Å; Y179-R183 HydrophobicContact CD1-CG 4.44Å; Y179-R183 HydrophobicContact CE1-CG 4.12Å; Y179-R183 HydrophobicContact CE2-CG 4.35Å; Y179-R183 WeakPolarHBondContact O-CB 3.46Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.24Å; Y179-R183 PolarHBondContact O-N 2.96Å; Y179-R183 VanDerWaalsContact O-N 3.08Å; Y179-R183 VanDerWaalsContact OH-CZ 3.26Å; Y179-R183 PolarHBondContact OH-NE 3.43Å; Y179-R183 PolarHBondContact OH-NH2 3.09Å; Y179-L216 HydrophobicContact CD1-CD2 4.46Å; Y179-L216 HydrophobicContact CE1-CB 4.37Å; Y179-L216 HydrophobicContact CE1-CD2 4.33Å; Y179-L216 WeakPolarHBondContact CE1-O 3.34Å; Y179-M374 HydrophobicContact CE1-CE 4.28Å; Y179-W528 HydrophobicContact CD2-CH2 4.47Å; Y179-W528 HydrophobicContact CD2-CZ3 4.44Å; Y179-W528 HydrophobicContact CE1-CH2 4.49Å; Y179-W528 HydrophobicContact CE1-CZ3 4.5Å; Y179-W528 AromaticContact CE2-CH2 3.68Å; Y179-W528 HydrophobicContact CE2-CH2 3.68Å; Y179-W528 HydrophobicContact CE2-CZ3 4.04Å; Y179-W528 AromaticContact CZ-CH2 3.69Å; Y179-L529 HydrophobicContact CD1-CD2 4.07Å; Y179-L529 HydrophobicContact CD2-CD2 4.21Å; Y179-L529 HydrophobicContact CG-CD2 3.74Å |
| 180 | A | 90.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L176 H177 R183 L184 I196 W209 L216 | L176-A180 VanDerWaalsContact O-CB 3.31Å; L176-A180 WeakPolarHBondContact O-CB 3.31Å; L176-A180 PolarHBondContact O-N 3.13Å; H177-A180 PolarHBondContact O-N 2.98Å; A180-R183 PolarHBondContact O-N 3.06Å; A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 WeakPolarHBondContact O-CG 2.99Å; A180-L184 PolarHBondContact O-N 3.4Å; A180-I196 HydrophobicContact CB-CD1 4.26Å; A180-W209 HydrophobicContact CB-CZ3 4.17Å; A180-L216 HydrophobicContact CB-CD1 4.06Å; A180-L216 HydrophobicContact CB-CD2 4.05Å |
| 181 | R | 88.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -51.7 | 177.6 | -177.1 | 173.3 | 61 | 96.6 | 15.9 | 110.8 | H177 R183 L184 M185 S194 I196 E538 C539 C555 | H177-R181 VanDerWaalsContact O-CB 3.26Å; H177-R181 WeakPolarHBondContact O-CB 3.47Å; H177-R181 PolarHBondContact O-N 3.06Å; R181-R183 VanDerWaalsContact C-N 3.32Å; R181-R183 PolarHBondContact O-N 3.08Å; R181-L184 PolarHBondContact O-N 3.4Å; R181-M185 HydrophobicContact CG-CG 4.36Å; R181-M185 HydrophobicContact CG-SD 3.83Å; R181-M185 VanDerWaalsContact O-CB 3.27Å; R181-M185 WeakPolarHBondContact O-CB 3.4Å; R181-M185 WeakPolarHBondContact O-CG 3.43Å; R181-M185 PolarHBondContact O-N 3.38Å; R181-S194 WeakPolarHBondContact CD-O 3.33Å; R181-I196 HydrophobicContact CB-CD1 3.97Å; R181-I196 HydrophobicContact CB-CG1 4.04Å; R181-I196 HydrophobicContact CG-CG1 4.27Å; R181-E538 IonicContact CZ-OE2 3.65Å; R181-E538 IonicContact NH2-OE2 3.7Å; R181-E538 PolarHBondContact NH2-OE2 3.35Å; R181-C539 PolarHBondContact NH2-O 2.99Å; R181-C539 PolarHBondContact NH2-SG 3.17Å; R181-C539 VanDerWaalsContact NH2-SG 3.36Å; R181-C555 PolarHBondContact NH1-SG 3.07Å; R181-C555 PolarHBondContact NH2-SG 3.38Å |
| 182 | R | 86 | Confident | 82.1 | Confident | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 176.9 | -177.9 | 174.6 | 61 | 118.6 | -5.5 | 111.8 | A178 K186 E532 E536 E538 | A178-R182 WeakPolarHBondContact O-CB 3.28Å; A178-R182 PolarHBondContact O-N 3.18Å; R182-K186 WeakPolarHBondContact O-CG 3.19Å; R182-K186 PolarHBondContact O-N 3.17Å; R182-K186 VanDerWaalsContact O-N 3.09Å; R182-E532 IonicContact NH2-OE2 3.66Å; R182-E536 IonicContact CZ-OE2 3.6Å; R182-E536 VanDerWaalsContact NH1-CG 3.3Å; R182-E536 IonicContact NH1-OE1 3.4Å; R182-E536 IonicContact NH1-OE2 3.71Å; R182-E536 PolarHBondContact NH1-OE2 2.98Å; R182-E538 HydrophobicContact CB-CG 4.43Å; R182-E538 HydrophobicContact CG-CG 4.5Å |
| 183 | R | 88 | Confident | 81.1 | Confident | 82 Ų | 82 | 43.4 Ų | 43.4 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 179.7 | -70.5 | -77 | -176.1 | 160.4 | 0.3 | 112.4 | Y179 A180 R181 K186 K187 L216 | Y179-R183 HydrophobicContact CD1-CG 4.44Å; Y179-R183 HydrophobicContact CE1-CG 4.12Å; Y179-R183 HydrophobicContact CE2-CG 4.35Å; Y179-R183 WeakPolarHBondContact O-CB 3.46Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.24Å; Y179-R183 PolarHBondContact O-N 2.96Å; Y179-R183 VanDerWaalsContact O-N 3.08Å; Y179-R183 VanDerWaalsContact OH-CZ 3.26Å; Y179-R183 PolarHBondContact OH-NE 3.43Å; Y179-R183 PolarHBondContact OH-NH2 3.09Å; A180-R183 PolarHBondContact O-N 3.06Å; R181-R183 VanDerWaalsContact C-N 3.32Å; R181-R183 PolarHBondContact O-N 3.08Å; R183-K186 PolarHBondContact O-N 3.22Å; R183-K187 PolarHBondContact O-N 2.84Å; R183-L216 HydrophobicContact CB-CD2 3.91Å; R183-L216 HydrophobicContact CG-CD2 4.25Å |
| 184 | L | 87.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.1 | -36.7 | 178.6 | -64.7 | 171 | 0 | 0 | 0 | 111.7 | A180 R181 K186 K187 Y188 F191 I196 L212 | A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 WeakPolarHBondContact O-CG 2.99Å; A180-L184 PolarHBondContact O-N 3.4Å; R181-L184 PolarHBondContact O-N 3.4Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.26Å; L184-K187 PolarHBondContact O-N 3.35Å; L184-K187 VanDerWaalsContact O-N 3.15Å; L184-Y188 HydrophobicContact CB-CD2 4.41Å; L184-Y188 HydrophobicContact CD2-CD2 4.45Å; L184-Y188 HydrophobicContact CD2-CE2 3.86Å; L184-Y188 WeakPolarHBondContact O-CD2 3.5Å; L184-Y188 PolarHBondContact O-N 2.91Å; L184-F191 HydrophobicContact CB-CZ 4.38Å; L184-I196 HydrophobicContact CD1-CD1 4.27Å; L184-I196 HydrophobicContact CD1-CG2 3.72Å; L184-L212 HydrophobicContact CD1-CD1 4.47Å |
| 185 | M | 78.9 | Confident | 80.2 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 22% | 0.222 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 171.6 | -76.8 | 176.2 | 69.5 | 0 | 0 | 111.3 | R181 K189 F191 | R181-M185 HydrophobicContact CG-CG 4.36Å; R181-M185 HydrophobicContact CG-SD 3.83Å; R181-M185 VanDerWaalsContact O-CB 3.27Å; R181-M185 WeakPolarHBondContact O-CB 3.4Å; R181-M185 WeakPolarHBondContact O-CG 3.43Å; R181-M185 PolarHBondContact O-N 3.38Å; M185-K189 WeakPolarHBondContact O-CA 3.37Å; M185-K189 PolarHBondContact O-N 3.39Å; M185-F191 HydrophobicContact CG-CD2 4.14Å; M185-F191 HydrophobicContact CG-CE2 3.66Å; M185-F191 HydrophobicContact CG-CZ 3.99Å |
| 186 | K | 79.1 | Confident | 80 | Confident | 125 Ų | 125 | 44.8 Ų | 44.8 | 54% | 0.543 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 173.6 | -74.4 | 176.9 | -178.2 | 177.5 | 0 | 112.2 | R182 R183 L184 E536 | R182-K186 WeakPolarHBondContact O-CG 3.19Å; R182-K186 PolarHBondContact O-N 3.17Å; R182-K186 VanDerWaalsContact O-N 3.09Å; R183-K186 PolarHBondContact O-N 3.22Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.26Å; K186-E536 IonicContact NZ-OE2 2.75Å |
| 187 | K | 83.8 | Confident | 79.7 | Confident | 80 Ų | 80 | 45.2 Ų | 45.2 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -73 | -50 | -179.4 | -174 | 170 | 178.4 | 170.1 | 0 | 113.2 | E106 R183 L184 D215 | E106-K187 IonicContact OE1-NZ 2.94Å; R183-K187 PolarHBondContact O-N 2.84Å; L184-K187 PolarHBondContact O-N 3.35Å; L184-K187 VanDerWaalsContact O-N 3.15Å; K187-D215 IonicContact NZ-OD1 3.86Å; K187-D215 PolarHBondContact NZ-OD1 3.29Å; K187-D215 IonicContact NZ-OD2 3.51Å; K187-D215 PolarHBondContact NZ-OD2 3.48Å |
| 188 | Y | 81.8 | Confident | 79.4 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -98.5 | -4.1 | -172.4 | -59.7 | -74.4 | 0 | 0 | 0 | 114.7 | Q108 L184 N190 L200 | Q108-Y188 HydrophobicContact CB-CD1 4.21Å; Q108-Y188 HydrophobicContact CB-CE1 4.17Å; L184-Y188 HydrophobicContact CB-CD2 4.41Å; L184-Y188 HydrophobicContact CD2-CD2 4.45Å; L184-Y188 HydrophobicContact CD2-CE2 3.86Å; L184-Y188 WeakPolarHBondContact O-CD2 3.5Å; L184-Y188 PolarHBondContact O-N 2.91Å; Y188-N190 PolarHBondContact O-N 3.3Å; Y188-L200 HydrophobicContact CD2-CD1 4.41Å; Y188-L200 HydrophobicContact CD2-CD2 4.08Å; Y188-L200 HydrophobicContact CE1-CD2 4.46Å; Y188-L200 HydrophobicContact CE2-CD2 3.89Å; Y188-L200 HydrophobicContact CG-CD2 4.44Å |
| 189 | K | 56.6 | Low | 79.3 | Confident | 176 Ų | 176 | 45.3 Ų | 45.3 | 77% | 0.765 | 22% | 0.216 | S | C | * | . | trans | 52.3 | 2.2 | 170.4 | -68.2 | -171.5 | 179.8 | 179.4 | 0 | 119.6 | M185 | M185-K189 WeakPolarHBondContact O-CA 3.37Å; M185-K189 PolarHBondContact O-N 3.39Å | ||
| 190 | N | 51.5 | Low | 79.1 | Confident | 145 Ų | 145 | 45.3 Ų | 45.3 | 78% | 0.775 | 22% | 0.216 | S | C | * | . | trans | -135.2 | 34.9 | -167.9 | -94.9 | -9.6 | 0 | 0 | 0 | 117.3 | Y188 | Y188-N190 PolarHBondContact O-N 3.3Š| ||
| 191 | F | 59.2 | Low | 79 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | trans | -146.9 | 123.6 | 166.4 | 60.9 | -88 | 0 | 0 | 0 | 113.3 | L184 M185 V193 L200 | L184-F191 HydrophobicContact CB-CZ 4.38Å; M185-F191 HydrophobicContact CG-CD2 4.14Å; M185-F191 HydrophobicContact CG-CE2 3.66Å; M185-F191 HydrophobicContact CG-CZ 3.99Å; F191-V193 HydrophobicContact CB-CG2 4.15Å; F191-V193 HydrophobicContact CD2-CG2 3.81Å; F191-V193 HydrophobicContact CG-CG2 4.44Å; F191-L200 HydrophobicContact CE1-CD1 3.85Å; F191-L200 HydrophobicContact CZ-CD1 3.95Å | ||
| 192 | N | 59 | Low | 79 | Confident | 131 Ų | 131 | 45.7 Ų | 45.7 | 70% | 0.701 | 22% | 0.218 | S | C | * | . | trans | -108 | 61.6 | -180 | -129.7 | 15.3 | 0 | 0 | 0 | 109.4 | ||||
| 193 | V | 70.4 | Confident | 78.9 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 33% | 0.333 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -132.3 | 158.4 | -176.5 | -67.3 | 0 | 0 | 0 | 0 | 109.9 | F191 T195 | F191-V193 HydrophobicContact CB-CG2 4.15Å; F191-V193 HydrophobicContact CD2-CG2 3.81Å; F191-V193 HydrophobicContact CG-CG2 4.44Å; V193-T195 VanDerWaalsContact C-N 3.3Å; V193-T195 PolarHBondContact O-N 3.3Å |
| 194 | S | 79.6 | Confident | 78.7 | Confident | 20 Ų | 20 | 42 Ų | 42 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -76.3 | -16.9 | -178.9 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | R181 W542 G543 C555 | R181-S194 WeakPolarHBondContact CD-O 3.33Å; S194-W542 WeakPolarHBondContact O-CB 3.46Å; S194-W542 WeakPolarHBondContact OG-CA 3.43Å; S194-G543 PolarHBondContact OG-N 3.4Å; S194-C555 VanDerWaalsContact CB-CB 3.44Å |
| 195 | T | 84.5 | Confident | 78.5 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -101.6 | 163.2 | -176.6 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | V193 N416 G420 T422 W542 | V193-T195 VanDerWaalsContact C-N 3.3Å; V193-T195 PolarHBondContact O-N 3.3Å; T195-N416 WeakPolarHBondContact CG2-OD1 3.43Å; T195-G420 WeakPolarHBondContact CA-O 3.44Å; T195-G420 WeakPolarHBondContact CB-O 3.45Å; T195-T422 HydrophobicContact CG2-CG2 3.84Å; T195-T422 WeakPolarHBondContact OG1-CG2 2.92Å; T195-T422 PolarHBondContact OG1-OG1 2.83Å; T195-W542 HydrophobicContact CG2-CB 3.82Å |
| 196 | I | 87.7 | Confident | 79 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.1 | 172.8 | -56.1 | 167.2 | 0 | 0 | 0 | 109 | A180 R181 L184 L200 F201 G420 I421 T422 | A180-I196 HydrophobicContact CB-CD1 4.26Å; R181-I196 HydrophobicContact CB-CD1 3.97Å; R181-I196 HydrophobicContact CB-CG1 4.04Å; R181-I196 HydrophobicContact CG-CG1 4.27Å; L184-I196 HydrophobicContact CD1-CD1 4.27Å; L184-I196 HydrophobicContact CD1-CG2 3.72Å; I196-L200 HydrophobicContact CG2-CB 4.36Å; I196-L200 HydrophobicContact CG2-CD1 4.22Å; I196-F201 HydrophobicContact CB-CE2 3.87Å; I196-F201 HydrophobicContact CB-CZ 3.68Å; I196-F201 HydrophobicContact CD1-CE1 4.31Å; I196-F201 HydrophobicContact CD1-CZ 3.78Å; I196-F201 HydrophobicContact CG1-CZ 4.34Å; I196-F201 HydrophobicContact CG2-CD2 4.42Å; I196-F201 HydrophobicContact CG2-CE1 4.26Å; I196-F201 HydrophobicContact CG2-CE2 3.53Å; I196-F201 HydrophobicContact CG2-CZ 3.46Å; I196-F201 VanDerWaalsContact CG2-CZ 3.46Å; I196-G420 PolarHBondContact N-O 3.18Å; I196-I421 CarbonylContact O-C 3.42Å; I196-I421 VanDerWaalsContact O-CA 3.27Å; I196-I421 WeakPolarHBondContact O-CA 3.35Å; I196-T422 PolarHBondContact O-N 3.44Å; I196-T422 PolarHBondContact O-OG1 3.42Å |
| 197 | E | 86.5 | Confident | 79.3 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.9 | 177.3 | -61.9 | -176 | -150.1 | 0 | 0 | 111.2 | H199 L200 T422 K425 | E197-H199 PolarHBondContact O-N 3.35Å; E197-H199 IonicContact OE2-CE1 3.03Å; E197-H199 PolarHBondContact OE2-CE1 3.45Å; E197-H199 VanDerWaalsContact OE2-CE1 3.26Å; E197-L200 HydrophobicContact CB-CD1 4.08Å; E197-L200 HydrophobicContact CB-CG 4.19Å; E197-L200 VanDerWaalsContact O-CB 3.26Å; E197-L200 WeakPolarHBondContact O-CB 3.5Å; E197-L200 WeakPolarHBondContact O-CG 2.98Å; E197-L200 PolarHBondContact O-N 3.5Å; E197-T422 CarbonylContact C-O 3.19Å; E197-T422 VanDerWaalsContact CA-O 3.31Å; E197-T422 WeakPolarHBondContact CA-O 3.28Å; E197-K425 VanDerWaalsContact OE1-CD 3.28Å; E197-K425 WeakPolarHBondContact OE1-CD 3.26Å; E197-K425 WeakPolarHBondContact OE1-CE 3.39Å; E197-K425 WeakPolarHBondContact OE1-CG 3.29Å; E197-K425 IonicContact OE1-NZ 2.8Å; E197-K425 PolarHBondContact OE2-N 2.89Å; E197-K425 VanDerWaalsContact OE2-N 3.15Å |
| 198 | I | 87.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -57.1 | -41.8 | -167.2 | -175.8 | 161.9 | 0 | 0 | 0 | 114.4 | W115 L200 F201 L204 I421 T422 P424 | W115-I198 HydrophobicContact CD2-CG2 3.92Å; W115-I198 HydrophobicContact CE3-CG2 4.33Å; W115-I198 HydrophobicContact CG-CG2 4.36Å; W115-I198 HydrophobicContact CH2-CG2 4.42Å; W115-I198 HydrophobicContact CZ2-CD1 4.21Å; W115-I198 HydrophobicContact CZ2-CG2 4.02Å; I198-L200 PolarHBondContact O-N 3.1Å; I198-L200 VanDerWaalsContact O-N 3.15Å; I198-F201 WeakPolarHBondContact O-CD2 3.45Å; I198-F201 PolarHBondContact O-N 3.07Å; I198-F201 VanDerWaalsContact O-N 3.09Å; I198-L204 WeakPolarHBondContact CD1-O 3.44Å; I198-I421 HydrophobicContact CB-CG2 3.63Å; I198-I421 HydrophobicContact CG1-CG2 4.14Å; I198-T422 PolarHBondContact N-O 3.38Å; I198-P424 HydrophobicContact CG2-CG 4.36Å |
| 199 | H | 85 | Confident | 79.9 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -64.4 | -21.6 | -177.1 | 66.5 | -77.8 | 0 | 0 | 0 | 112.3 | Q108 L111 A112 W115 E197 F201 R202 P424 | Q108-H199 WeakPolarHBondContact CG-NE2 3.17Å; Q108-H199 PolarHBondContact O-CD2 3.13Å; Q108-H199 VanDerWaalsContact O-CD2 3.27Å; L111-H199 HydrophobicContact CB-CB 4.1Å; A112-H199 PolarHBondContact N-CD2 3.23Å; W115-H199 HydrophobicContact CB-CB 4.4Å; E197-H199 PolarHBondContact O-N 3.35Å; E197-H199 IonicContact OE2-CE1 3.03Å; E197-H199 PolarHBondContact OE2-CE1 3.45Å; E197-H199 VanDerWaalsContact OE2-CE1 3.26Å; H199-F201 PolarHBondContact O-N 3.17Å; H199-R202 PolarHBondContact O-N 3.33Å; H199-P424 HydrophobicContact CB-CG 4.32Å |
| 200 | L | 89.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -67.8 | -16.7 | 177 | -58.1 | 179.3 | 0 | 0 | 0 | 112.9 | Q108 Y188 F191 I196 E197 I198 R202 L212 | Q108-L200 HydrophobicContact CB-CD2 4.46Å; Q108-L200 HydrophobicContact CG-CD2 3.73Å; Y188-L200 HydrophobicContact CD2-CD1 4.41Å; Y188-L200 HydrophobicContact CD2-CD2 4.08Å; Y188-L200 HydrophobicContact CE1-CD2 4.46Å; Y188-L200 HydrophobicContact CE2-CD2 3.89Å; Y188-L200 HydrophobicContact CG-CD2 4.44Å; F191-L200 HydrophobicContact CE1-CD1 3.85Å; F191-L200 HydrophobicContact CZ-CD1 3.95Å; I196-L200 HydrophobicContact CG2-CB 4.36Å; I196-L200 HydrophobicContact CG2-CD1 4.22Å; E197-L200 HydrophobicContact CB-CD1 4.08Å; E197-L200 HydrophobicContact CB-CG 4.19Å; E197-L200 VanDerWaalsContact O-CB 3.26Å; E197-L200 WeakPolarHBondContact O-CB 3.5Å; E197-L200 WeakPolarHBondContact O-CG 2.98Å; E197-L200 PolarHBondContact O-N 3.5Å; I198-L200 PolarHBondContact O-N 3.1Å; I198-L200 VanDerWaalsContact O-N 3.15Å; L200-R202 VanDerWaalsContact C-N 3.29Å; L200-L212 WeakPolarHBondContact O-CD2 3.46Å |
| 201 | F | 89.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -79.9 | -8.5 | 175.4 | -65 | -74.8 | 0 | 0 | 0 | 114 | I196 I198 H199 D203 W209 L212 I421 | I196-F201 HydrophobicContact CB-CE2 3.87Å; I196-F201 HydrophobicContact CB-CZ 3.68Å; I196-F201 HydrophobicContact CD1-CE1 4.31Å; I196-F201 HydrophobicContact CD1-CZ 3.78Å; I196-F201 HydrophobicContact CG1-CZ 4.34Å; I196-F201 HydrophobicContact CG2-CD2 4.42Å; I196-F201 HydrophobicContact CG2-CE1 4.26Å; I196-F201 HydrophobicContact CG2-CE2 3.53Å; I196-F201 HydrophobicContact CG2-CZ 3.46Å; I196-F201 VanDerWaalsContact CG2-CZ 3.46Å; I198-F201 WeakPolarHBondContact O-CD2 3.45Å; I198-F201 PolarHBondContact O-N 3.07Å; I198-F201 VanDerWaalsContact O-N 3.09Å; H199-F201 PolarHBondContact O-N 3.17Å; F201-D203 PolarHBondContact O-N 3.19Å; F201-W209 AromaticContact CD1-CD1 3.57Å; F201-W209 AromaticContact CD1-CD2 3.62Å; F201-W209 HydrophobicContact CD1-CD2 3.62Å; F201-W209 AromaticContact CD1-CE2 3.44Å; F201-W209 VanDerWaalsContact CD1-CE2 3.44Å; F201-W209 HydrophobicContact CD1-CE3 4.34Å; F201-W209 AromaticContact CD1-CG 3.73Å; F201-W209 HydrophobicContact CD1-CG 3.73Å; F201-W209 HydrophobicContact CD1-CZ2 4.05Å; F201-W209 AromaticContact CD1-NE1 3.4Å; F201-W209 AromaticContact CE1-CD2 3.55Å; F201-W209 HydrophobicContact CE1-CD2 3.55Å; F201-W209 AromaticContact CE1-CE2 3.18Å; F201-W209 AromaticContact CE1-CE3 3.94Å; F201-W209 HydrophobicContact CE1-CE3 3.94Å; F201-W209 HydrophobicContact CE1-CG 4.18Å; F201-W209 AromaticContact CE1-CH2 3.73Å; F201-W209 HydrophobicContact CE1-CH2 3.73Å; F201-W209 AromaticContact CE1-CZ2 3.3Å; F201-W209 HydrophobicContact CE1-CZ2 3.3Å; F201-W209 HydrophobicContact CE1-CZ3 4.02Å; F201-W209 AromaticContact CE1-NE1 3.62Å; F201-W209 AromaticContact CG-NE1 3.86Å; F201-W209 AromaticContact CZ-CE2 3.85Å; F201-W209 HydrophobicContact CZ-CH2 4.09Å; F201-W209 AromaticContact CZ-CZ2 3.58Å; F201-W209 HydrophobicContact CZ-CZ2 3.58Å; F201-L212 HydrophobicContact CD1-CD1 3.66Å; F201-L212 HydrophobicContact CE1-CD1 4.3Å; F201-I421 HydrophobicContact CD2-CD1 3.99Å; F201-I421 HydrophobicContact CD2-CG2 4.47Å; F201-I421 HydrophobicContact CE2-CB 4.47Å; F201-I421 HydrophobicContact CE2-CD1 3.36Å; F201-I421 HydrophobicContact CE2-CG1 3.69Å; F201-I421 HydrophobicContact CE2-CG2 4.01Å; F201-I421 HydrophobicContact CZ-CD1 3.72Å; F201-I421 HydrophobicContact CZ-CG1 4.05Å |
| 202 | R | 86.9 | Confident | 83.8 | Confident | 14 Ų | 14 | 18 Ų | 18 | 5% | 0.053 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.1 | -177.1 | -48.5 | 177.9 | -179.1 | -178.5 | -7.5 | 113.5 | M102 V105 E106 L111 H199 L200 L212 D215 | M102-R202 WeakPolarHBondContact CB-O 3.43Å; V105-R202 WeakPolarHBondContact O-CD 3.31Å; V105-R202 PolarHBondContact O-NE 3.36Å; E106-R202 IonicContact OE1-CZ 2.65Å; E106-R202 IonicContact OE1-NH1 3.8Å; E106-R202 IonicContact OE1-NH2 3.81Å; E106-R202 PolarHBondContact OE1-NH2 2.98Å; L111-R202 HydrophobicContact CD1-CG 4.05Å; L111-R202 HydrophobicContact CD2-CB 4.43Å; L111-R202 HydrophobicContact CD2-CG 4.3Å; H199-R202 PolarHBondContact O-N 3.33Å; L200-R202 VanDerWaalsContact C-N 3.29Å; R202-L212 HydrophobicContact CG-CD2 4.12Å; R202-D215 IonicContact CZ-OD2 3.26Å; R202-D215 IonicContact NH2-OD2 3.81Å |
| 203 | D | 85.3 | Confident | 85.1 | Confident | 18 Ų | 18 | 12.9 Ų | 12.9 | 10% | 0.096 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -135.9 | 153.6 | 177.2 | 176.8 | 49.7 | 0 | 0 | 0 | 110.2 | F201 W205 S206 E207 | F201-D203 PolarHBondContact O-N 3.19Å; D203-W205 PolarHBondContact OD2-N 3.41Å; D203-W205 VanDerWaalsContact OD2-N 3.16Å; D203-S206 WeakPolarHBondContact OD2-CA 3.07Å; D203-S206 PolarHBondContact OD2-N 3.46Å; D203-E207 PolarHBondContact OD2-N 3.44Å |
| 204 | L | 82.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -73.3 | -37.3 | -177.1 | -71.7 | 174 | 0 | 0 | 0 | 113.1 | L94 L98 I99 M102 W115 W118 I198 | L94-L204 HydrophobicContact CD1-CD1 3.35Å; L98-L204 HydrophobicContact CD2-CD1 4.06Å; L98-L204 HydrophobicContact CD2-CD2 3.93Å; L98-L204 HydrophobicContact CG-CD1 4.42Å; L98-L204 HydrophobicContact CG-CD2 4.41Å; I99-L204 HydrophobicContact CG1-CD1 4.11Å; M102-L204 HydrophobicContact CE-CD2 4.16Å; M102-L204 HydrophobicContact SD-CD2 3.38Å; M102-L204 WeakPolarHBondContact SD-CD2 3.37Å; M102-L204 HydrophobicContact SD-CG 3.65Å; W115-L204 PolarHBondContact NE1-O 3.12Å; W118-L204 HydrophobicContact CD2-CD2 4.07Å; W118-L204 HydrophobicContact CE3-CD2 3.78Å; W118-L204 HydrophobicContact CZ2-CD1 4.42Å; W118-L204 HydrophobicContact CZ3-CB 4.36Å; W118-L204 HydrophobicContact CZ3-CD2 4.19Å; I198-L204 WeakPolarHBondContact CD1-O 3.44Å |
| 205 | W | 84.9 | Confident | 86 | Confident | 13 Ų | 13 | 17.4 Ų | 17.4 | 5% | 0.049 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -109.8 | -8.3 | -173.8 | -56.4 | -74.4 | 0 | 0 | 0 | 113.2 | Y77 I99 W118 D203 E207 F386 S436 H437 | Y77-W205 VanDerWaalsContact OH-CZ2 3.23Å; Y77-W205 WeakPolarHBondContact OH-CZ2 3.3Å; I99-W205 HydrophobicContact CD1-CH2 3.82Å; I99-W205 HydrophobicContact CD1-CZ3 3.86Å; W118-W205 HydrophobicContact CH2-CZ2 4.25Å; W118-W205 AromaticContact CH2-NE1 3.69Å; W118-W205 HydrophobicContact CZ2-CZ2 4.3Å; D203-W205 PolarHBondContact OD2-N 3.41Å; D203-W205 VanDerWaalsContact OD2-N 3.16Å; W205-E207 HydrophobicContact CB-CB 4.44Å; W205-E207 HydrophobicContact CB-CG 4.24Å; W205-E207 HydrophobicContact CE3-CG 4.48Å; W205-E207 PolarHBondContact O-N 3.32Å; W205-F386 HydrophobicContact CB-CD2 4.2Å; W205-F386 HydrophobicContact CB-CE2 3.73Å; W205-F386 HydrophobicContact CB-CZ 3.94Å; W205-F386 HydrophobicContact CG-CE2 4.31Å; W205-F386 HydrophobicContact CG-CZ 4.15Å; W205-S436 PolarHBondContact NE1-O 3.02Å; W205-H437 AromaticContact CD1-CD2 3.97Å; W205-H437 AromaticContact CD2-CD2 3.92Å; W205-H437 AromaticContact CE2-CD2 3.96Å; W205-H437 AromaticContact CG-CD2 3.98Å; W205-H437 AromaticContact NE1-CD2 3.94Å |
| 206 | S | 87.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 58.4 | 24.6 | -167.6 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | D203 W209 P382 I421 | D203-S206 WeakPolarHBondContact OD2-CA 3.07Å; D203-S206 PolarHBondContact OD2-N 3.46Å; S206-W209 PolarHBondContact O-NE1 2.8Å; S206-P382 WeakPolarHBondContact O-CB 3.29Å; S206-I421 WeakPolarHBondContact OG-CD1 3.18Å |
| 207 | E | 86.4 | Confident | 86.4 | Confident | 24 Ų | 24 | 17.8 Ų | 17.8 | 11% | 0.112 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -83.1 | -19.3 | 178.3 | 70 | 167.8 | -164.6 | 0 | 0 | 112.5 | D203 W205 P382 R383 F386 Y387 H437 | D203-E207 PolarHBondContact OD2-N 3.44Å; W205-E207 HydrophobicContact CB-CB 4.44Å; W205-E207 HydrophobicContact CB-CG 4.24Å; W205-E207 HydrophobicContact CE3-CG 4.48Å; W205-E207 PolarHBondContact O-N 3.32Å; E207-P382 CarbonylContact O-C 3.56Å; E207-R383 WeakPolarHBondContact O-CA 3.5Å; E207-R383 WeakPolarHBondContact O-CB 3.28Å; E207-R383 PolarHBondContact O-N 2.88Å; E207-F386 HydrophobicContact CB-CB 3.88Å; E207-F386 HydrophobicContact CB-CD1 3.96Å; E207-F386 HydrophobicContact CB-CG 3.89Å; E207-F386 WeakPolarHBondContact OE2-CD1 3.36Å; E207-Y387 PolarHBondContact OE2-OH 3Å; E207-H437 IonicContact OE2-NE2 3.29Å |
| 208 | D | 86.5 | Confident | 86.5 | Confident | 20 Ų | 20 | 18.2 Ų | 18.2 | 11% | 0.107 | 10% | 0.103 | C | C | . | . | trans | -130.1 | 108.4 | 178.1 | -169.2 | -15.8 | 0 | 0 | 0 | 110.3 | S210 | D208-S210 VanDerWaalsContact C-N 3.34Å; D208-S210 VanDerWaalsContact CG-OG 3.27Å; D208-S210 WeakPolarHBondContact OD1-CB 3.28Å; D208-S210 PolarHBondContact OD1-N 2.93Å; D208-S210 PolarHBondContact OD1-OG 3.42Å; D208-S210 PolarHBondContact OD2-OG 3.23Å | ||
| 209 | W | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -93.1 | 8.8 | 178.2 | -60.9 | 3.3 | 0 | 0 | 0 | 112.6 | Y173 L176 A180 F201 S206 G211 L212 L378 P382 I421 | Y173-W209 AromaticContact CE2-CH2 3.99Å; Y173-W209 HydrophobicContact CE2-CH2 3.99Å; Y173-W209 HydrophobicContact CE2-CZ2 4.13Å; Y173-W209 WeakPolarHBondContact OH-CZ2 3.39Å; L176-W209 HydrophobicContact CD2-CE3 4.37Å; L176-W209 HydrophobicContact CD2-CZ3 4.23Å; L176-W209 HydrophobicContact CG-CZ3 4.09Å; A180-W209 HydrophobicContact CB-CZ3 4.17Å; F201-W209 AromaticContact CD1-CD1 3.57Å; F201-W209 AromaticContact CD1-CD2 3.62Å; F201-W209 HydrophobicContact CD1-CD2 3.62Å; F201-W209 AromaticContact CD1-CE2 3.44Å; F201-W209 VanDerWaalsContact CD1-CE2 3.44Å; F201-W209 HydrophobicContact CD1-CE3 4.34Å; F201-W209 AromaticContact CD1-CG 3.73Å; F201-W209 HydrophobicContact CD1-CG 3.73Å; F201-W209 HydrophobicContact CD1-CZ2 4.05Å; F201-W209 AromaticContact CD1-NE1 3.4Å; F201-W209 AromaticContact CE1-CD2 3.55Å; F201-W209 HydrophobicContact CE1-CD2 3.55Å; F201-W209 AromaticContact CE1-CE2 3.18Å; F201-W209 AromaticContact CE1-CE3 3.94Å; F201-W209 HydrophobicContact CE1-CE3 3.94Å; F201-W209 HydrophobicContact CE1-CG 4.18Å; F201-W209 AromaticContact CE1-CH2 3.73Å; F201-W209 HydrophobicContact CE1-CH2 3.73Å; F201-W209 AromaticContact CE1-CZ2 3.3Å; F201-W209 HydrophobicContact CE1-CZ2 3.3Å; F201-W209 HydrophobicContact CE1-CZ3 4.02Å; F201-W209 AromaticContact CE1-NE1 3.62Å; F201-W209 AromaticContact CG-NE1 3.86Å; F201-W209 AromaticContact CZ-CE2 3.85Å; F201-W209 HydrophobicContact CZ-CH2 4.09Å; F201-W209 AromaticContact CZ-CZ2 3.58Å; F201-W209 HydrophobicContact CZ-CZ2 3.58Å; S206-W209 PolarHBondContact O-NE1 2.8Å; W209-G211 PolarHBondContact O-N 3.44Å; W209-G211 VanDerWaalsContact O-N 3.09Å; W209-L212 WeakPolarHBondContact O-CB 3.43Å; W209-L212 PolarHBondContact O-N 3.11Å; W209-L378 WeakPolarHBondContact CA-O 3.38Å; W209-L378 HydrophobicContact CB-CB 4.06Å; W209-L378 HydrophobicContact CB-CD2 3.86Å; W209-L378 WeakPolarHBondContact CB-O 3.49Å; W209-L378 HydrophobicContact CE3-CD2 3.95Å; W209-L378 PolarHBondContact N-O 3.4Å; W209-P382 HydrophobicContact CB-CG 4.12Å; W209-P382 HydrophobicContact CD2-CB 4.06Å; W209-P382 HydrophobicContact CD2-CG 3.42Å; W209-P382 VanDerWaalsContact CD2-CG 3.42Å; W209-P382 HydrophobicContact CE3-CG 3.99Å; W209-P382 HydrophobicContact CG-CB 4.01Å; W209-P382 HydrophobicContact CG-CG 3.49Å; W209-P382 VanDerWaalsContact CG-CG 3.49Å; W209-P382 HydrophobicContact CZ2-CB 4.31Å; W209-P382 HydrophobicContact CZ2-CG 4.22Å; W209-I421 HydrophobicContact CZ2-CD1 4.1Å | ||
| 210 | S | 82.2 | Confident | 86.3 | Confident | 38 Ų | 38 | 29.4 Ų | 29.4 | 27% | 0.266 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -57.9 | -26.1 | -179.8 | 60.8 | 0 | 0 | 0 | 0 | 113 | D208 L212 M213 | D208-S210 VanDerWaalsContact C-N 3.34Å; D208-S210 VanDerWaalsContact CG-OG 3.27Å; D208-S210 WeakPolarHBondContact OD1-CB 3.28Å; D208-S210 PolarHBondContact OD1-N 2.93Å; D208-S210 PolarHBondContact OD1-OG 3.42Å; D208-S210 PolarHBondContact OD2-OG 3.23Å; S210-L212 PolarHBondContact O-N 3.38Å; S210-M213 WeakPolarHBondContact O-CB 3.37Å; S210-M213 PolarHBondContact O-N 2.72Å; S210-M213 VanDerWaalsContact O-N 3.16Å |
| 211 | G | 81.2 | Confident | 85.7 | Confident | 21 Ų | 21 | 37.3 Ų | 37.3 | 22% | 0.216 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -62.4 | -19.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | W209 | W209-G211 PolarHBondContact O-N 3.44Å; W209-G211 VanDerWaalsContact O-N 3.09Å |
| 212 | L | 87.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -94.2 | 5.7 | 176.8 | -62.2 | -172.6 | 0 | 0 | 0 | 113.9 | L184 L200 F201 R202 W209 S210 N214 D215 L216 | L184-L212 HydrophobicContact CD1-CD1 4.47Å; L200-L212 WeakPolarHBondContact O-CD2 3.46Å; F201-L212 HydrophobicContact CD1-CD1 3.66Å; F201-L212 HydrophobicContact CE1-CD1 4.3Å; R202-L212 HydrophobicContact CG-CD2 4.12Å; W209-L212 WeakPolarHBondContact O-CB 3.43Å; W209-L212 PolarHBondContact O-N 3.11Å; S210-L212 PolarHBondContact O-N 3.38Å; L212-N214 PolarHBondContact O-N 2.94Å; L212-N214 VanDerWaalsContact O-N 3.13Å; L212-D215 PolarHBondContact O-N 3.39Å; L212-L216 HydrophobicContact CB-CD1 3.92Å; L212-L216 HydrophobicContact CB-CG 4.19Å; L212-L216 HydrophobicContact CD1-CD1 4.16Å; L212-L216 PolarHBondContact O-N 3.41Å |
| 213 | M | 85.2 | Confident | 84.5 | Confident | 22 Ų | 22 | 39.8 Ų | 39.8 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.3 | -40.9 | -173.7 | -174 | 59.3 | -174.9 | 0 | 0 | 112.5 | S210 D215 L216 I217 N371 M374 L378 | S210-M213 WeakPolarHBondContact O-CB 3.37Å; S210-M213 PolarHBondContact O-N 2.72Å; S210-M213 VanDerWaalsContact O-N 3.16Å; M213-D215 VanDerWaalsContact C-N 3.31Å; M213-D215 PolarHBondContact O-N 2.82Å; M213-L216 PolarHBondContact O-N 3.25Å; M213-I217 HydrophobicContact CE-CG1 4.39Å; M213-I217 WeakPolarHBondContact O-CB 3.3Å; M213-I217 PolarHBondContact O-N 2.98Å; M213-N371 WeakPolarHBondContact CE-O 3.38Å; M213-M374 HydrophobicContact CE-CB 4.19Å; M213-M374 HydrophobicContact CE-CG 4.24Å; M213-M374 HydrophobicContact SD-CB 4.49Å; M213-M374 HydrophobicContact SD-CG 4Å; M213-L378 HydrophobicContact CB-CD1 4.3Å; M213-L378 HydrophobicContact SD-CD1 3.68Å |
| 214 | N | 82.3 | Confident | 83.8 | Confident | 132 Ų | 132 | 40.3 Ų | 40.3 | 71% | 0.706 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.3 | -29.6 | 178.1 | -69.1 | -17 | 0 | 0 | 0 | 113.7 | L212 | L212-N214 PolarHBondContact O-N 2.94Å; L212-N214 VanDerWaalsContact O-N 3.13Å |
| 215 | D | 86.4 | Confident | 83.1 | Confident | 39 Ų | 39 | 41 Ų | 41 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -83.3 | -28.8 | -179.7 | -74 | -37.9 | 0 | 0 | 0 | 112.5 | K187 R202 L212 M213 | K187-D215 IonicContact NZ-OD1 3.86Å; K187-D215 PolarHBondContact NZ-OD1 3.29Å; K187-D215 IonicContact NZ-OD2 3.51Å; K187-D215 PolarHBondContact NZ-OD2 3.48Å; R202-D215 IonicContact CZ-OD2 3.26Å; R202-D215 IonicContact NH2-OD2 3.81Å; L212-D215 PolarHBondContact O-N 3.39Å; M213-D215 VanDerWaalsContact C-N 3.31Å; M213-D215 PolarHBondContact O-N 2.82Å |
| 216 | L | 91.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -106.9 | -0.5 | -174.1 | -59.6 | -179.2 | 0 | 0 | 0 | 113.7 | Y179 A180 R183 L212 M213 P218 L378 | Y179-L216 HydrophobicContact CD1-CD2 4.46Å; Y179-L216 HydrophobicContact CE1-CB 4.37Å; Y179-L216 HydrophobicContact CE1-CD2 4.33Å; Y179-L216 WeakPolarHBondContact CE1-O 3.34Å; A180-L216 HydrophobicContact CB-CD1 4.06Å; A180-L216 HydrophobicContact CB-CD2 4.05Å; R183-L216 HydrophobicContact CB-CD2 3.91Å; R183-L216 HydrophobicContact CG-CD2 4.25Å; L212-L216 HydrophobicContact CB-CD1 3.92Å; L212-L216 HydrophobicContact CB-CG 4.19Å; L212-L216 HydrophobicContact CD1-CD1 4.16Å; L212-L216 PolarHBondContact O-N 3.41Å; M213-L216 PolarHBondContact O-N 3.25Å; L216-P218 VanDerWaalsContact O-CD 3.28Å; L216-P218 WeakPolarHBondContact O-CD 3.37Å; L216-L378 HydrophobicContact CD1-CD2 3.67Å |
| 217 | I | 89.5 | Confident | 81.8 | Confident | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | trans | -54.7 | 121.8 | -177.8 | -165.7 | 166.7 | 0 | 0 | 0 | 111.2 | M213 Y219 K220 | M213-I217 HydrophobicContact CE-CG1 4.39Å; M213-I217 WeakPolarHBondContact O-CB 3.3Å; M213-I217 PolarHBondContact O-N 2.98Å; I217-Y219 WeakPolarHBondContact CD1-O 3.32Å; I217-Y219 WeakPolarHBondContact CG1-O 3.48Å; I217-K220 HydrophobicContact CG2-CB 4.31Å; I217-K220 HydrophobicContact CG2-CG 3.54Å | ||
| 218 | P | 89.7 | Confident | 81.1 | Confident | 18 Ų | 18 | 45 Ų | 45 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -58.9 | -50.3 | 176.5 | -31.6 | 39.8 | 0 | 0 | 0 | 112.7 | L216 I370 N371 M374 W528 | L216-P218 VanDerWaalsContact O-CD 3.28Å; L216-P218 WeakPolarHBondContact O-CD 3.37Å; P218-I370 HydrophobicContact CB-CG2 3.84Å; P218-I370 HydrophobicContact CG-CG2 3.87Å; P218-N371 WeakPolarHBondContact CD-OD1 3.37Å; P218-M374 HydrophobicContact CG-CB 4.18Å; P218-M374 HydrophobicContact CG-CE 3.58Å; P218-M374 HydrophobicContact CG-CG 4.3Å; P218-W528 HydrophobicContact CB-CH2 3.59Å; P218-W528 HydrophobicContact CB-CZ2 3.59Å; P218-W528 HydrophobicContact CB-CZ3 4.07Å; P218-W528 HydrophobicContact CG-CE3 4.39Å; P218-W528 HydrophobicContact CG-CH2 3.85Å; P218-W528 HydrophobicContact CG-CZ2 4.32Å; P218-W528 HydrophobicContact CG-CZ3 3.88Å |
| 219 | Y | 86.7 | Confident | 80.4 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -120.2 | 102.4 | 180 | -57.1 | -73.8 | 0 | 0 | 0 | 110.3 | I217 D221 T222 R367 I370 N371 W528 | I217-Y219 WeakPolarHBondContact CD1-O 3.32Å; I217-Y219 WeakPolarHBondContact CG1-O 3.48Å; Y219-D221 VanDerWaalsContact C-N 3.33Å; Y219-D221 PolarHBondContact O-N 3.38Å; Y219-T222 PolarHBondContact O-N 2.7Å; Y219-R367 HydrophobicContact CD1-CG 4.29Å; Y219-R367 HydrophobicContact CD2-CB 3.67Å; Y219-R367 HydrophobicContact CD2-CG 3.93Å; Y219-R367 HydrophobicContact CE1-CG 4.25Å; Y219-R367 HydrophobicContact CE2-CB 4Å; Y219-R367 HydrophobicContact CE2-CG 3.88Å; Y219-R367 HydrophobicContact CG-CB 4.05Å; Y219-R367 HydrophobicContact CG-CG 4.14Å; Y219-I370 HydrophobicContact CD2-CB 4.45Å; Y219-I370 HydrophobicContact CD2-CG2 4.35Å; Y219-I370 HydrophobicContact CE2-CB 4.03Å; Y219-I370 HydrophobicContact CE2-CG1 4.43Å; Y219-I370 HydrophobicContact CE2-CG2 3.94Å; Y219-N371 PolarHBondContact N-OD1 2.77Å; Y219-N371 PolarHBondContact O-ND2 3Å; Y219-W528 AromaticContact CZ-NE1 3.97Å; Y219-W528 PolarHBondContact OH-NE1 2.87Å |
| 220 | K | 80.4 | Confident | 79.7 | Confident | 156 Ų | 156 | 53.5 Ų | 53.5 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -36.1 | -173.2 | -76.7 | -176 | 175.2 | -170.7 | 0 | 114.7 | I217 T222 | I217-K220 HydrophobicContact CG2-CB 4.31Å; I217-K220 HydrophobicContact CG2-CG 3.54Å; K220-T222 VanDerWaalsContact C-N 3.31Å; K220-T222 PolarHBondContact O-N 3.5Å |
| 221 | D | 76.7 | Confident | 79.5 | Confident | 166 Ų | 166 | 52.3 Ų | 52.3 | 89% | 0.888 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 24.4 | -174.2 | -53.7 | -46.9 | 0 | 0 | 0 | 112.7 | Y219 | Y219-D221 VanDerWaalsContact C-N 3.33Å; Y219-D221 PolarHBondContact O-N 3.38Å |
| 222 | T | 78.1 | Confident | 79.2 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -128.4 | 131.7 | -175.3 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | Y219 K220 R367 I368 N371 | Y219-T222 PolarHBondContact O-N 2.7Å; K220-T222 VanDerWaalsContact C-N 3.31Å; K220-T222 PolarHBondContact O-N 3.5Å; T222-R367 HydrophobicContact CG2-CB 3.87Å; T222-I368 HydrophobicContact CG2-CB 4.26Å; T222-I368 HydrophobicContact CG2-CG1 3.41Å; T222-I368 VanDerWaalsContact CG2-CG1 3.41Å; T222-N371 WeakPolarHBondContact CB-ND2 3.48Å; T222-N371 PolarHBondContact O-ND2 3.07Å |
| 223 | P | 72.9 | Confident | 78.6 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | trans | -57.6 | 145.8 | 179.4 | -15.1 | 20.3 | 0 | 0 | 0 | 112.9 | D361 | P223-D361 HydrophobicContact CG-CB 4.08Å; P223-D361 WeakPolarHBondContact CG-OD2 3.4Å | ||
| 224 | S | 70.2 | Confident | 78.3 | Confident | 29 Ų | 29 | 69 Ų | 69 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | trans | -109.2 | -4.6 | -177.9 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 225 | G | 68.2 | Low | 78 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | trans | 81.5 | 13 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I227 | G225-I227 PolarHBondContact O-N 2.6Š| ||
| 226 | D | 70.9 | Confident | 77.7 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | trans | -70.6 | 111.5 | 171.2 | -172.6 | 4.1 | 0 | 0 | 0 | 111.4 | T228 | D226-T228 WeakPolarHBondContact OD1-CB 3.33Å; D226-T228 PolarHBondContact OD1-N 3.34Å; D226-T228 PolarHBondContact OD1-OG1 3.36Å | ||
| 227 | I | 73.8 | Confident | 77.3 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | trans | -92.7 | 2.1 | 179.1 | 61.3 | 170.7 | 0 | 0 | 0 | 113.3 | G225 Q229 K230 L231 M348 L353 L358 | G225-I227 PolarHBondContact O-N 2.6Å; I227-Q229 VanDerWaalsContact C-N 3.25Å; I227-Q229 PolarHBondContact O-N 3.12Å; I227-K230 PolarHBondContact O-N 3.09Å; I227-L231 HydrophobicContact CD1-CD1 4.02Å; I227-L231 HydrophobicContact CD1-CD2 4.3Å; I227-L231 HydrophobicContact CD1-CG 4.19Å; I227-L231 HydrophobicContact CG1-CD1 4.01Å; I227-L231 HydrophobicContact CG1-CG 4.21Å; I227-L231 WeakPolarHBondContact O-CG 3.18Å; I227-L231 PolarHBondContact O-N 3.39Å; I227-M348 HydrophobicContact CD1-CE 4.36Å; I227-M348 HydrophobicContact CD1-SD 3.94Å; I227-L353 HydrophobicContact CG2-CD1 4.22Å; I227-L353 HydrophobicContact CG2-CD2 3.97Å; I227-L358 HydrophobicContact CG2-CB 4.12Å; I227-L358 HydrophobicContact CG2-CD1 4.31Å | ||
| 228 | T | 72.3 | Confident | 76.9 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.3 | -38.5 | -173.4 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | D226 K232 | D226-T228 WeakPolarHBondContact OD1-CB 3.33Å; D226-T228 PolarHBondContact OD1-N 3.34Å; D226-T228 PolarHBondContact OD1-OG1 3.36Å; T228-K232 WeakPolarHBondContact O-CG 3.47Å; T228-K232 PolarHBondContact O-N 3.21Å |
| 229 | Q | 72.6 | Confident | 76.7 | Confident | 139 Ų | 139 | 75 Ų | 75 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 176.8 | -174.8 | 173.8 | -15.1 | 0 | 0 | 112 | I227 K232 E233 | I227-Q229 VanDerWaalsContact C-N 3.25Å; I227-Q229 PolarHBondContact O-N 3.12Å; Q229-K232 WeakPolarHBondContact O-CB 3.46Å; Q229-K232 PolarHBondContact O-N 3.01Å; Q229-E233 PolarHBondContact NE2-OE1 3.01Å; Q229-E233 WeakPolarHBondContact O-CG 3.5Å; Q229-E233 PolarHBondContact O-N 3.01Å |
| 230 | K | 75.4 | Confident | 76.6 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.5 | -37.1 | -179.4 | -159.1 | 155.8 | -171.9 | 165.1 | 0 | 112.9 | I227 K232 E233 E234 H357 L358 | I227-K230 PolarHBondContact O-N 3.09Å; K230-K232 VanDerWaalsContact C-N 3.28Å; K230-K232 PolarHBondContact O-N 2.77Å; K230-E233 PolarHBondContact O-N 3.29Å; K230-E234 PolarHBondContact O-N 2.04Å; K230-E234 VanDerWaalsContact O-N 3.13Å; K230-H357 PolarHBondContact NZ-O 3.46Å; K230-L358 HydrophobicContact CD-CB 4.43Å; K230-L358 HydrophobicContact CD-CD2 3.7Å; K230-L358 WeakPolarHBondContact CD-O 3.11Å; K230-L358 HydrophobicContact CG-CD2 4.11Å; K230-L358 PolarHBondContact NZ-O 2.91Å |
| 231 | L | 77.6 | Confident | 77 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 172.6 | -66.3 | 176.5 | 0 | 0 | 0 | 112.2 | I227 N235 I236 V303 | I227-L231 HydrophobicContact CD1-CD1 4.02Å; I227-L231 HydrophobicContact CD1-CD2 4.3Å; I227-L231 HydrophobicContact CD1-CG 4.19Å; I227-L231 HydrophobicContact CG1-CD1 4.01Å; I227-L231 HydrophobicContact CG1-CG 4.21Å; I227-L231 WeakPolarHBondContact O-CG 3.18Å; I227-L231 PolarHBondContact O-N 3.39Å; L231-N235 PolarHBondContact O-N 2.59Å; L231-I236 HydrophobicContact CD2-CD1 3.78Å; L231-I236 PolarHBondContact O-N 2.71Å; L231-V303 HydrophobicContact CD1-CG2 3.86Å |
| 232 | K | 74.6 | Confident | 77.7 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 65% | 0.648 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.7 | -41.9 | 174.1 | -74.2 | 177.5 | 178.9 | 178.5 | 0 | 111.8 | T228 Q229 K230 E234 N235 | T228-K232 WeakPolarHBondContact O-CG 3.47Å; T228-K232 PolarHBondContact O-N 3.21Å; Q229-K232 WeakPolarHBondContact O-CB 3.46Å; Q229-K232 PolarHBondContact O-N 3.01Å; K230-K232 VanDerWaalsContact C-N 3.28Å; K230-K232 PolarHBondContact O-N 2.77Å; K232-E234 VanDerWaalsContact C-N 3.3Å; K232-E234 PolarHBondContact O-N 3.18Å; K232-N235 PolarHBondContact O-N 3.21Å |
| 233 | E | 75.8 | Confident | 78.2 | Confident | 132 Ų | 132 | 63.7 Ų | 63.7 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.7 | -36.1 | 177.5 | -73.3 | 167.6 | -173.5 | 0 | 0 | 112.6 | Q229 K230 | Q229-E233 PolarHBondContact NE2-OE1 3.01Å; Q229-E233 WeakPolarHBondContact O-CG 3.5Å; Q229-E233 PolarHBondContact O-N 3.01Å; K230-E233 PolarHBondContact O-N 3.29Å |
| 234 | E | 78.1 | Confident | 78.9 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1.1 | 177.6 | -69.1 | -167.1 | -172.4 | 0 | 0 | 114.9 | K230 K232 I236 | K230-E234 PolarHBondContact O-N 2.04Å; K230-E234 VanDerWaalsContact O-N 3.13Å; K232-E234 VanDerWaalsContact C-N 3.3Å; K232-E234 PolarHBondContact O-N 3.18Å; E234-I236 VanDerWaalsContact C-N 3.35Å; E234-I236 HydrophobicContact CB-CD1 4.11Å; E234-I236 HydrophobicContact CB-CG1 3.84Å; E234-I236 PolarHBondContact O-N 3.35Å |
| 235 | N | 76.5 | Confident | 79.8 | Confident | 150 Ų | 150 | 63.9 Ų | 63.9 | 80% | 0.802 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.8 | -179.7 | -159.2 | 23.5 | 0 | 0 | 0 | 114 | L231 K232 S237 | L231-N235 PolarHBondContact O-N 2.59Å; K232-N235 PolarHBondContact O-N 3.21Å; N235-S237 PolarHBondContact O-N 3.13Å |
| 236 | I | 80.7 | Confident | 80.9 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | trans | -75.5 | 121.1 | -175.8 | -60.9 | -179.2 | 0 | 0 | 0 | 110.9 | L231 E234 K240 L241 M244 | L231-I236 HydrophobicContact CD2-CD1 3.78Å; L231-I236 PolarHBondContact O-N 2.71Å; E234-I236 VanDerWaalsContact C-N 3.35Å; E234-I236 HydrophobicContact CB-CD1 4.11Å; E234-I236 HydrophobicContact CB-CG1 3.84Å; E234-I236 PolarHBondContact O-N 3.35Å; I236-K240 HydrophobicContact CG2-CB 4.13Å; I236-K240 HydrophobicContact CG2-CD 4.28Å; I236-K240 HydrophobicContact CG2-CG 4.24Å; I236-L241 HydrophobicContact CG2-CB 4.38Å; I236-M244 HydrophobicContact CD1-CE 4.41Å; I236-M244 HydrophobicContact CD1-SD 4.15Å; I236-M244 HydrophobicContact CG2-SD 4.22Å | ||
| 237 | S | 82.4 | Confident | 81.7 | Confident | 63 Ų | 63 | 63 Ų | 63 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | trans | -73.8 | 154.1 | 174.8 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | N235 R239 K240 L241 | N235-S237 PolarHBondContact O-N 3.13Å; S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 3.21Å; S237-K240 WeakPolarHBondContact O-CA 3.34Å; S237-K240 WeakPolarHBondContact O-CB 3.45Å; S237-K240 PolarHBondContact O-N 3.36Å; S237-K240 WeakPolarHBondContact OG-CB 3.14Å; S237-K240 PolarHBondContact OG-N 2.83Å; S237-L241 PolarHBondContact O-N 2.79Å | ||
| 238 | L | 82 | Confident | 82.4 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -37.3 | -178.6 | -137.6 | 120.4 | 0 | 0 | 0 | 112.2 | K240 L241 Y242 F267 T294 G296 K302 | L238-K240 VanDerWaalsContact C-N 3.35Å; L238-K240 PolarHBondContact O-N 3.18Å; L238-L241 WeakPolarHBondContact O-CB 3.46Å; L238-L241 PolarHBondContact O-N 2.89Å; L238-Y242 HydrophobicContact CD2-CD2 4.32Å; L238-Y242 HydrophobicContact CD2-CE2 3.82Å; L238-Y242 VanDerWaalsContact O-CD2 3.3Å; L238-Y242 WeakPolarHBondContact O-CD2 3.45Å; L238-Y242 PolarHBondContact O-N 3.19Å; L238-Y242 VanDerWaalsContact O-N 3.13Å; L238-F267 HydrophobicContact CD2-CD1 4.46Å; L238-T294 HydrophobicContact CD2-CG2 3.38Å; L238-G296 VanDerWaalsContact CD1-C 3.45Å; L238-G296 WeakPolarHBondContact CD1-O 3.23Å; L238-K302 HydrophobicContact CD1-CD 4.48Å; L238-K302 HydrophobicContact CD1-CG 4.38Å |
| 239 | R | 84.8 | Confident | 83.3 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 172 | -176.3 | -176 | -73.5 | -96.8 | 1.9 | 111.7 | S237 Y242 H243 W262 F267 | S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 3.21Å; R239-Y242 PolarHBondContact O-N 2.76Å; R239-H243 PolarHBondContact O-CD2 3.38Å; R239-H243 VanDerWaalsContact O-CD2 3.28Å; R239-H243 PolarHBondContact O-N 3.08Å; R239-H243 VanDerWaalsContact O-N 3.15Å; R239-W262 PolarHBondContact NH1-O 3.07Å; R239-F267 HydrophobicContact CB-CB 4.32Å; R239-F267 HydrophobicContact CB-CD2 4.19Å; R239-F267 HydrophobicContact CB-CG 4.2Å; R239-F267 HydrophobicContact CG-CD2 4.11Å; R239-F267 HydrophobicContact CG-CE2 4.39Å |
| 240 | K | 85.3 | Confident | 84 | Confident | 108 Ų | 108 | 57.5 Ų | 57.5 | 47% | 0.47 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 177.4 | -172.5 | 177.9 | 177.6 | -169.5 | 0 | 111.3 | I236 S237 L238 Y242 H243 M244 | I236-K240 HydrophobicContact CG2-CB 4.13Å; I236-K240 HydrophobicContact CG2-CD 4.28Å; I236-K240 HydrophobicContact CG2-CG 4.24Å; S237-K240 WeakPolarHBondContact O-CA 3.34Å; S237-K240 WeakPolarHBondContact O-CB 3.45Å; S237-K240 PolarHBondContact O-N 3.36Å; S237-K240 WeakPolarHBondContact OG-CB 3.14Å; S237-K240 PolarHBondContact OG-N 2.83Å; L238-K240 VanDerWaalsContact C-N 3.35Å; L238-K240 PolarHBondContact O-N 3.18Å; K240-Y242 PolarHBondContact O-N 3.22Å; K240-H243 PolarHBondContact O-N 3.49Å; K240-M244 HydrophobicContact CG-SD 4.5Å; K240-M244 WeakPolarHBondContact O-CG 3.47Å; K240-M244 PolarHBondContact O-N 2.83Å |
| 241 | L | 87.5 | Confident | 84.6 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 173.4 | 176.5 | 64.4 | 0 | 0 | 0 | 111.8 | I236 S237 L238 H243 M244 V245 A298 K302 V303 A306 | I236-L241 HydrophobicContact CG2-CB 4.38Å; S237-L241 PolarHBondContact O-N 2.79Å; L238-L241 WeakPolarHBondContact O-CB 3.46Å; L238-L241 PolarHBondContact O-N 2.89Å; L241-H243 VanDerWaalsContact C-N 3.34Å; L241-H243 PolarHBondContact O-N 2.82Å; L241-M244 WeakPolarHBondContact O-CB 3.32Å; L241-M244 PolarHBondContact O-N 3.22Å; L241-V245 WeakPolarHBondContact O-CG2 3.23Å; L241-V245 PolarHBondContact O-N 2.72Å; L241-A298 HydrophobicContact CD2-CB 4.47Å; L241-K302 HydrophobicContact CD2-CB 4.43Å; L241-V303 HydrophobicContact CD1-CG2 4.07Å; L241-V303 HydrophobicContact CD2-CG2 4.36Å; L241-A306 HydrophobicContact CD2-CB 4.35Å; L241-A306 HydrophobicContact CG-CB 4.28Å |
| 242 | Y | 91.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 177.6 | -86.3 | -109.5 | 0 | 0 | 0 | 112.9 | L238 R239 K240 V245 D246 F267 I292 T294 E305 A306 H309 M310 | L238-Y242 HydrophobicContact CD2-CD2 4.32Å; L238-Y242 HydrophobicContact CD2-CE2 3.82Å; L238-Y242 VanDerWaalsContact O-CD2 3.3Å; L238-Y242 WeakPolarHBondContact O-CD2 3.45Å; L238-Y242 PolarHBondContact O-N 3.19Å; L238-Y242 VanDerWaalsContact O-N 3.13Å; R239-Y242 PolarHBondContact O-N 2.76Å; K240-Y242 PolarHBondContact O-N 3.22Å; Y242-V245 PolarHBondContact O-N 3.17Å; Y242-D246 PolarHBondContact O-N 3.39Å; Y242-F267 AromaticContact CD1-CE1 3.85Å; Y242-F267 HydrophobicContact CD1-CE1 3.85Å; Y242-F267 HydrophobicContact CD1-CZ 4.37Å; Y242-F267 HydrophobicContact CD2-CD1 4.32Å; Y242-F267 AromaticContact CD2-CE1 3.9Å; Y242-F267 HydrophobicContact CD2-CE1 3.9Å; Y242-F267 HydrophobicContact CE1-CE1 4.2Å; Y242-F267 HydrophobicContact CE2-CE1 4.27Å; Y242-F267 HydrophobicContact CG-CD1 4.49Å; Y242-F267 AromaticContact CG-CE1 3.67Å; Y242-F267 HydrophobicContact CG-CE1 3.67Å; Y242-F267 HydrophobicContact CG-CZ 4.32Å; Y242-I292 HydrophobicContact CD1-CD1 4.18Å; Y242-I292 HydrophobicContact CE1-CD1 4.28Å; Y242-I292 HydrophobicContact CE1-CG2 3.87Å; Y242-T294 HydrophobicContact CE1-CG2 4.47Å; Y242-T294 HydrophobicContact CE2-CG2 3.7Å; Y242-T294 WeakPolarHBondContact OH-CG2 3.32Å; Y242-E305 PolarHBondContact OH-OE1 3.42Å; Y242-A306 HydrophobicContact CD1-CB 4.43Å; Y242-A306 HydrophobicContact CD2-CB 3.83Å; Y242-A306 HydrophobicContact CE1-CB 4.2Å; Y242-A306 HydrophobicContact CE2-CB 3.55Å; Y242-A306 HydrophobicContact CG-CB 4.27Å; Y242-H309 HydrophobicContact CE1-CB 3.91Å; Y242-H309 AromaticContact CE1-ND1 3.86Å; Y242-H309 AromaticContact CZ-ND1 3.72Å; Y242-H309 PolarHBondContact OH-ND1 3.25Å; Y242-M310 HydrophobicContact CD1-CG 4.3Å; Y242-M310 HydrophobicContact CD1-SD 4.32Å |
| 243 | H | 88.5 | Confident | 85.8 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 171.5 | -77.8 | -59.3 | 0 | 0 | 0 | 112.5 | R239 K240 L241 V245 D246 D247 W262 | R239-H243 PolarHBondContact O-CD2 3.38Å; R239-H243 VanDerWaalsContact O-CD2 3.28Å; R239-H243 PolarHBondContact O-N 3.08Å; R239-H243 VanDerWaalsContact O-N 3.15Å; K240-H243 PolarHBondContact O-N 3.49Å; L241-H243 VanDerWaalsContact C-N 3.34Å; L241-H243 PolarHBondContact O-N 2.82Å; H243-V245 VanDerWaalsContact C-N 3.3Å; H243-V245 PolarHBondContact O-N 3.13Å; H243-D246 WeakPolarHBondContact O-CB 3.38Å; H243-D246 PolarHBondContact O-N 3.47Å; H243-D247 PolarHBondContact O-N 3.48Å; H243-W262 AromaticContact CE1-CD2 3.56Å; H243-W262 AromaticContact CE1-CE2 3.46Å; H243-W262 VanDerWaalsContact CE1-CE2 3.46Å; H243-W262 AromaticContact CE1-CE3 3.91Å; H243-W262 AromaticContact CE1-CZ2 3.73Å; H243-W262 AromaticContact CE1-NE1 3.87Å; H243-W262 AromaticContact ND1-CE2 3.83Å; H243-W262 AromaticContact ND1-CH2 3.89Å; H243-W262 AromaticContact ND1-CZ2 3.62Å |
| 244 | M | 87.5 | Confident | 86.4 | Confident | 79 Ų | 79 | 44.8 Ų | 44.8 | 39% | 0.389 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 175.2 | -68.7 | 169.9 | 66.6 | 0 | 0 | 111.7 | I236 K240 L241 D247 C248 | I236-M244 HydrophobicContact CD1-CE 4.41Å; I236-M244 HydrophobicContact CD1-SD 4.15Å; I236-M244 HydrophobicContact CG2-SD 4.22Å; K240-M244 HydrophobicContact CG-SD 4.5Å; K240-M244 WeakPolarHBondContact O-CG 3.47Å; K240-M244 PolarHBondContact O-N 2.83Å; L241-M244 WeakPolarHBondContact O-CB 3.32Å; L241-M244 PolarHBondContact O-N 3.22Å; M244-D247 PolarHBondContact O-N 2.85Å; M244-C248 PolarHBondContact O-N 2.88Å; M244-C248 VanDerWaalsContact O-N 3.11Å |
| 245 | V | 90.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L241 Y242 H243 D247 C248 F249 A306 F307 M310 | L241-V245 WeakPolarHBondContact O-CG2 3.23Å; L241-V245 PolarHBondContact O-N 2.72Å; Y242-V245 PolarHBondContact O-N 3.17Å; H243-V245 VanDerWaalsContact C-N 3.3Å; H243-V245 PolarHBondContact O-N 3.13Å; V245-D247 PolarHBondContact O-N 3.01Å; V245-C248 WeakPolarHBondContact O-CA 3.24Å; V245-C248 VanDerWaalsContact O-CB 3.32Å; V245-C248 WeakPolarHBondContact O-CB 3.31Å; V245-C248 PolarHBondContact O-N 2.67Å; V245-F249 HydrophobicContact CG1-CD2 3.86Å; V245-F249 HydrophobicContact CG1-CE2 3.71Å; V245-F249 WeakPolarHBondContact O-CD2 3.46Å; V245-F249 PolarHBondContact O-N 3.22Å; V245-A306 HydrophobicContact CG2-CB 3.88Å; V245-F307 HydrophobicContact CB-CE1 4.4Å; V245-F307 HydrophobicContact CG1-CD1 3.59Å; V245-F307 HydrophobicContact CG1-CE1 3.8Å; V245-F307 HydrophobicContact CG1-CG 4.03Å; V245-F307 HydrophobicContact CG1-CZ 4.44Å; V245-F307 HydrophobicContact CG2-CD1 4.34Å; V245-F307 HydrophobicContact CG2-CD2 4.12Å; V245-F307 HydrophobicContact CG2-CE1 4.15Å; V245-F307 HydrophobicContact CG2-CE2 3.94Å; V245-F307 HydrophobicContact CG2-CG 4.3Å; V245-F307 HydrophobicContact CG2-CZ 3.95Å; V245-M310 HydrophobicContact CB-CG 4.32Å; V245-M310 HydrophobicContact CG1-CB 3.76Å; V245-M310 HydrophobicContact CG1-CG 3.63Å |
| 246 | D | 91.8 | Very high | 87.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.2 | -37.7 | 174.8 | -168.8 | 42.9 | 0 | 0 | 0 | 111.9 | Y242 H243 F249 A250 A257 W262 M310 | Y242-D246 PolarHBondContact O-N 3.39Å; H243-D246 WeakPolarHBondContact O-CB 3.38Å; H243-D246 PolarHBondContact O-N 3.47Å; D246-F249 PolarHBondContact O-N 3.17Å; D246-A250 WeakPolarHBondContact O-CB 3.41Å; D246-A250 PolarHBondContact O-N 3.46Å; D246-A257 PolarHBondContact OD1-N 3.45Å; D246-A257 PolarHBondContact OD2-N 2.8Å; D246-W262 HydrophobicContact CB-CH2 4.39Å; D246-W262 HydrophobicContact CB-CZ2 4.2Å; D246-M310 HydrophobicContact CB-CE 3.59Å; D246-M310 WeakPolarHBondContact OD1-CE 3.39Å |
| 247 | D | 87.5 | Confident | 87.4 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -37.9 | 173.6 | -70.4 | -24.5 | 0 | 0 | 0 | 112.6 | H243 M244 V245 A250 S251 K256 | H243-D247 PolarHBondContact O-N 3.48Å; M244-D247 PolarHBondContact O-N 2.85Å; V245-D247 PolarHBondContact O-N 3.01Å; D247-A250 PolarHBondContact O-N 3Å; D247-S251 PolarHBondContact O-N 3.07Å; D247-K256 WeakPolarHBondContact OD1-CE 3.5Å; D247-K256 IonicContact OD1-NZ 3.72Å; D247-K256 PolarHBondContact OD1-NZ 3.32Å |
| 248 | C | 88.3 | Confident | 87.4 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 172.5 | -73.6 | 0 | 0 | 0 | 0 | 112 | M244 V245 S251 F307 V343 | M244-C248 PolarHBondContact O-N 2.88Å; M244-C248 VanDerWaalsContact O-N 3.11Å; V245-C248 WeakPolarHBondContact O-CA 3.24Å; V245-C248 VanDerWaalsContact O-CB 3.32Å; V245-C248 WeakPolarHBondContact O-CB 3.31Å; V245-C248 PolarHBondContact O-N 2.67Å; C248-S251 WeakPolarHBondContact O-CB 3.06Å; C248-S251 PolarHBondContact O-N 3.35Å; C248-S251 PolarHBondContact O-OG 2.89Å; C248-F307 HydrophobicContact CB-CE1 4.1Å; C248-V343 HydrophobicContact CB-CG1 4.06Å |
| 249 | F | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 174.1 | -83.6 | -88.7 | 0 | 0 | 0 | 112 | V245 D246 S251 I252 L254 F307 M310 Q314 V339 V343 | V245-F249 HydrophobicContact CG1-CD2 3.86Å; V245-F249 HydrophobicContact CG1-CE2 3.71Å; V245-F249 WeakPolarHBondContact O-CD2 3.46Å; V245-F249 PolarHBondContact O-N 3.22Å; D246-F249 PolarHBondContact O-N 3.17Å; F249-S251 VanDerWaalsContact C-N 3.32Å; F249-S251 PolarHBondContact O-N 3.25Å; F249-I252 WeakPolarHBondContact O-CG1 3.37Å; F249-I252 PolarHBondContact O-N 2.91Å; F249-L254 HydrophobicContact CD1-CD1 3.85Å; F249-L254 PolarHBondContact O-N 3.42Å; F249-F307 HydrophobicContact CE2-CD1 4.04Å; F249-M310 HydrophobicContact CD2-CB 3.85Å; F249-M310 HydrophobicContact CE2-CB 3.42Å; F249-M310 VanDerWaalsContact CE2-CB 3.42Å; F249-M310 HydrophobicContact CZ-CB 4.04Å; F249-Q314 HydrophobicContact CD1-CG 3.97Å; F249-Q314 HydrophobicContact CE1-CG 4.28Å; F249-V339 HydrophobicContact CE1-CG1 3.97Å; F249-V343 HydrophobicContact CD1-CG2 4.08Å; F249-V343 HydrophobicContact CE1-CB 4.5Å; F249-V343 HydrophobicContact CE1-CG2 3.71Å; F249-V343 HydrophobicContact CE2-CB 4.38Å; F249-V343 HydrophobicContact CE2-CG1 4.49Å; F249-V343 HydrophobicContact CE2-CG2 4.42Å; F249-V343 HydrophobicContact CZ-CB 4.22Å; F249-V343 HydrophobicContact CZ-CG2 3.9Å |
| 250 | A | 87.9 | Confident | 87 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.8 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D246 D247 I252 G253 L254 K256 | D246-A250 WeakPolarHBondContact O-CB 3.41Å; D246-A250 PolarHBondContact O-N 3.46Å; D247-A250 PolarHBondContact O-N 3Å; A250-I252 PolarHBondContact O-N 3.5Å; A250-G253 PolarHBondContact O-N 3.19Å; A250-L254 WeakPolarHBondContact CA-O 3.31Å; A250-K256 HydrophobicContact CB-CD 4.46Å; A250-K256 HydrophobicContact CB-CG 3.81Å |
| 251 | S | 88.1 | Confident | 87 | Confident | 39 Ų | 39 | 38 Ų | 38 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -27.1 | -179.1 | 87.2 | 0 | 0 | 0 | 0 | 113.5 | D247 C248 F249 G253 Q479 G480 | D247-S251 PolarHBondContact O-N 3.07Å; C248-S251 WeakPolarHBondContact O-CB 3.06Å; C248-S251 PolarHBondContact O-N 3.35Å; C248-S251 PolarHBondContact O-OG 2.89Å; F249-S251 VanDerWaalsContact C-N 3.32Å; F249-S251 PolarHBondContact O-N 3.25Å; S251-G253 VanDerWaalsContact C-N 3.33Å; S251-Q479 PolarHBondContact OG-OE1 3.45Å; S251-G480 CarbonylContact O-C 3.52Å; S251-G480 VanDerWaalsContact O-CA 3.32Å; S251-G480 WeakPolarHBondContact O-CA 3.44Å; S251-G480 PolarHBondContact O-N 3.46Å |
| 252 | I | 90.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.8 | 177.3 | 65.4 | 167.8 | 0 | 0 | 0 | 112.4 | F249 A250 L254 V343 I478 S482 G485 L488 | F249-I252 WeakPolarHBondContact O-CG1 3.37Å; F249-I252 PolarHBondContact O-N 2.91Å; A250-I252 PolarHBondContact O-N 3.5Å; I252-L254 HydrophobicContact CD1-CD1 4.1Å; I252-L254 HydrophobicContact CG1-CD1 4.45Å; I252-V343 HydrophobicContact CD1-CG2 3.97Å; I252-I478 HydrophobicContact CG2-CD1 4.35Å; I252-I478 HydrophobicContact CG2-CG1 4.28Å; I252-I478 WeakPolarHBondContact CG2-O 3.35Å; I252-S482 CarbonylContact O-C 3.54Å; I252-S482 VanDerWaalsContact O-C 3.29Å; I252-S482 VanDerWaalsContact O-CA 3.31Å; I252-S482 WeakPolarHBondContact O-CA 3.41Å; I252-G485 WeakPolarHBondContact O-CA 3.37Å; I252-G485 PolarHBondContact O-N 2.85Å; I252-L488 HydrophobicContact CD1-CD1 3.85Å |
| 253 | G | 86.3 | Confident | 86 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 6.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A250 S251 | A250-G253 PolarHBondContact O-N 3.19Å; S251-G253 VanDerWaalsContact C-N 3.33Å |
| 254 | L | 88.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 148.9 | 169 | -68.4 | 170.7 | 0 | 0 | 0 | 110.2 | F249 A250 I252 Q314 G485 L488 A489 | F249-L254 HydrophobicContact CD1-CD1 3.85Å; F249-L254 PolarHBondContact O-N 3.42Å; A250-L254 WeakPolarHBondContact CA-O 3.31Å; I252-L254 HydrophobicContact CD1-CD1 4.1Å; I252-L254 HydrophobicContact CG1-CD1 4.45Å; L254-Q314 HydrophobicContact CD1-CG 4.44Å; L254-G485 WeakPolarHBondContact CD2-O 3.44Å; L254-L488 HydrophobicContact CD1-CD1 4.3Å; L254-A489 HydrophobicContact CD2-CB 4.26Å |
| 255 | T | 83.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 44% | 0.442 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -78.7 | 133.7 | -176.7 | 48.4 | 0 | 0 | 0 | 0 | 110.7 | Q314 K317 | T255-Q314 PolarHBondContact O-NE2 3.17Å; T255-K317 PolarHBondContact O-NZ 3.4Å; T255-K317 VanDerWaalsContact OG1-CE 3.23Å; T255-K317 WeakPolarHBondContact OG1-CE 3.49Å; T255-K317 PolarHBondContact OG1-NZ 3.34Å |
| 256 | K | 87.5 | Confident | 84.8 | Confident | 111 Ų | 111 | 43 Ų | 43 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 154.9 | -179.8 | -70.6 | -162.2 | -178.1 | -161.9 | 0 | 113.5 | D247 A250 K317 | D247-K256 WeakPolarHBondContact OD1-CE 3.5Å; D247-K256 IonicContact OD1-NZ 3.72Å; D247-K256 PolarHBondContact OD1-NZ 3.32Å; A250-K256 HydrophobicContact CB-CD 4.46Å; A250-K256 HydrophobicContact CB-CG 3.81Å; K256-K317 PolarHBondContact O-NZ 2.84Å |
| 257 | A | 86.3 | Confident | 84.3 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 136.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D246 W262 M310 L313 | D246-A257 PolarHBondContact OD1-N 3.45Å; D246-A257 PolarHBondContact OD2-N 2.8Å; A257-W262 HydrophobicContact CB-CZ2 3.76Å; A257-M310 HydrophobicContact CB-CE 4.32Å; A257-L313 HydrophobicContact CB-CD2 3.62Å |
| 258 | P | 82.3 | Confident | 83.6 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 149.9 | 177.6 | 19.8 | -23.2 | 0 | 0 | 0 | 111.5 | S260 V261 F290 | P258-S260 PolarHBondContact O-N 3.04Å; P258-S260 VanDerWaalsContact O-N 3.09Å; P258-V261 HydrophobicContact CG-CG2 3.8Å; P258-V261 WeakPolarHBondContact O-CB 3.11Å; P258-V261 WeakPolarHBondContact O-CG2 3.45Å; P258-V261 PolarHBondContact O-N 2.88Å; P258-F290 HydrophobicContact CG-CD2 4.08Å; P258-F290 HydrophobicContact CG-CE2 4.17Å |
| 259 | L | 79.9 | Confident | 82.3 | Confident | 150 Ų | 150 | 49.6 Ų | 49.6 | 79% | 0.785 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.1 | -28.4 | -176.2 | -70.3 | 170.6 | 0 | 0 | 0 | 113.5 | V261 W262 A263 | L259-V261 PolarHBondContact O-N 3.06Å; L259-W262 PolarHBondContact O-N 2.9Å; L259-A263 PolarHBondContact O-N 2.91Å |
| 260 | S | 77.8 | Confident | 80.7 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.2 | -35.2 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | P258 A263 N264 N288 | P258-S260 PolarHBondContact O-N 3.04Å; P258-S260 VanDerWaalsContact O-N 3.09Å; S260-A263 PolarHBondContact O-N 3.4Å; S260-N264 WeakPolarHBondContact O-CB 3.19Å; S260-N264 VanDerWaalsContact O-CG 3.29Å; S260-N264 PolarHBondContact O-N 3.4Å; S260-N264 PolarHBondContact O-ND2 2.96Å; S260-N264 VanDerWaalsContact O-ND2 3.15Å; S260-N288 PolarHBondContact OG-O 3.41Å |
| 261 | V | 85.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 179.5 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | P258 L259 A263 N264 S265 F290 I292 L313 | P258-V261 HydrophobicContact CG-CG2 3.8Å; P258-V261 WeakPolarHBondContact O-CB 3.11Å; P258-V261 WeakPolarHBondContact O-CG2 3.45Å; P258-V261 PolarHBondContact O-N 2.88Å; L259-V261 PolarHBondContact O-N 3.06Å; V261-A263 PolarHBondContact O-N 3.37Å; V261-N264 PolarHBondContact O-N 3.44Å; V261-S265 WeakPolarHBondContact O-CB 3.41Å; V261-S265 PolarHBondContact O-N 3.25Å; V261-S265 PolarHBondContact O-OG 3.37Å; V261-F290 WeakPolarHBondContact CA-O 3.2Å; V261-F290 HydrophobicContact CG2-CB 3.81Å; V261-F290 HydrophobicContact CG2-CD2 3.91Å; V261-F290 HydrophobicContact CG2-CG 4.34Å; V261-I292 HydrophobicContact CG1-CD1 4.12Å; V261-I292 HydrophobicContact CG1-CG1 4.08Å; V261-L313 HydrophobicContact CG1-CD1 4.42Å; V261-L313 HydrophobicContact CG1-CD2 4Å; V261-L313 HydrophobicContact CG2-CD1 4.02Å; V261-L313 HydrophobicContact CG2-CD2 4.23Å |
| 262 | W | 84.4 | Confident | 77.3 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 10% | 0.102 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -25.6 | -177 | -52.8 | 119.2 | 0 | 0 | 0 | 113.1 | R239 H243 D246 A257 L259 F267 M310 | R239-W262 PolarHBondContact NH1-O 3.07Å; H243-W262 AromaticContact CE1-CD2 3.56Å; H243-W262 AromaticContact CE1-CE2 3.46Å; H243-W262 VanDerWaalsContact CE1-CE2 3.46Å; H243-W262 AromaticContact CE1-CE3 3.91Å; H243-W262 AromaticContact CE1-CZ2 3.73Å; H243-W262 AromaticContact CE1-NE1 3.87Å; H243-W262 AromaticContact ND1-CE2 3.83Å; H243-W262 AromaticContact ND1-CH2 3.89Å; H243-W262 AromaticContact ND1-CZ2 3.62Å; D246-W262 HydrophobicContact CB-CH2 4.39Å; D246-W262 HydrophobicContact CB-CZ2 4.2Å; A257-W262 HydrophobicContact CB-CZ2 3.76Å; L259-W262 PolarHBondContact O-N 2.9Å; W262-F267 HydrophobicContact CE3-CE2 4.07Å; W262-F267 HydrophobicContact CE3-CZ 4.07Å; W262-F267 HydrophobicContact CZ3-CE2 4.34Å; W262-F267 AromaticContact CZ3-CZ 3.9Å; W262-F267 HydrophobicContact CZ3-CZ 3.9Å; W262-M310 HydrophobicContact CH2-SD 4.34Å |
| 263 | A | 73.9 | Confident | 75.3 | Confident | 82 Ų | 82 | 75.3 Ų | 75.3 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -79.5 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L259 S260 V261 | L259-A263 PolarHBondContact O-N 2.91Å; S260-A263 PolarHBondContact O-N 3.4Å; V261-A263 PolarHBondContact O-N 3.37Å |
| 264 | N | 78.3 | Confident | 73.6 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -86.1 | -14.1 | -179.4 | -64.7 | -32.6 | 0 | 0 | 0 | 113.5 | S260 V261 F290 A291 | S260-N264 WeakPolarHBondContact O-CB 3.19Å; S260-N264 VanDerWaalsContact O-CG 3.29Å; S260-N264 PolarHBondContact O-N 3.4Å; S260-N264 PolarHBondContact O-ND2 2.96Å; S260-N264 VanDerWaalsContact O-ND2 3.15Å; V261-N264 PolarHBondContact O-N 3.44Å; N264-F290 WeakPolarHBondContact CB-O 3.38Å; N264-F290 PolarHBondContact ND2-O 3.22Å; N264-A291 HydrophobicContact CB-CB 3.7Å |
| 265 | S | 83.6 | Confident | 71.8 | Confident | 10 Ų | 10 | 84.2 Ų | 84.2 | 7% | 0.07 | 43% | 0.427 | C | S | . | . | trans | -83.1 | 150 | -175.1 | -62.3 | 0 | 0 | 0 | 0 | 113.9 | V261 F267 I292 | V261-S265 WeakPolarHBondContact O-CB 3.41Å; V261-S265 PolarHBondContact O-N 3.25Å; V261-S265 PolarHBondContact O-OG 3.37Å; S265-F267 VanDerWaalsContact CB-CE2 3.5Å; S265-I292 CarbonylContact C-O 3.49Å; S265-I292 WeakPolarHBondContact CA-O 3.5Å; S265-I292 WeakPolarHBondContact CB-O 3.26Å; S265-I292 PolarHBondContact OG-N 3.01Å; S265-I292 PolarHBondContact OG-O 3.4Å | ||
| 266 | I | 78.1 | Confident | 70.6 | Confident | 74 Ų | 74 | 84.9 Ų | 84.9 | 38% | 0.379 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -118.6 | 112.7 | 178.1 | -56.4 | 173.2 | 0 | 0 | 0 | 108.5 | E268 I292 T293 T294 | I266-E268 VanDerWaalsContact CG2-O 3.3Å; I266-E268 WeakPolarHBondContact CG2-O 3.38Å; I266-I292 PolarHBondContact N-O 3.26Å; I266-T293 HydrophobicContact CB-CG2 4.25Å; I266-T293 HydrophobicContact CD1-CG2 4.3Å; I266-T293 HydrophobicContact CG1-CG2 4.45Å; I266-T293 WeakPolarHBondContact O-CA 3.4Å; I266-T294 PolarHBondContact O-N 3.01Å |
| 267 | F | 81.6 | Confident | 69.4 | Low | 8 Ų | 8 | 80.1 Ų | 80.1 | 4% | 0.035 | 42% | 0.415 | C | S | . | . | trans | -106.5 | -6.9 | 176.9 | -63.2 | -75.5 | 0 | 0 | 0 | 113.6 | L238 R239 Y242 W262 S265 I292 T294 | L238-F267 HydrophobicContact CD2-CD1 4.46Å; R239-F267 HydrophobicContact CB-CB 4.32Å; R239-F267 HydrophobicContact CB-CD2 4.19Å; R239-F267 HydrophobicContact CB-CG 4.2Å; R239-F267 HydrophobicContact CG-CD2 4.11Å; R239-F267 HydrophobicContact CG-CE2 4.39Å; Y242-F267 AromaticContact CD1-CE1 3.85Å; Y242-F267 HydrophobicContact CD1-CE1 3.85Å; Y242-F267 HydrophobicContact CD1-CZ 4.37Å; Y242-F267 HydrophobicContact CD2-CD1 4.32Å; Y242-F267 AromaticContact CD2-CE1 3.9Å; Y242-F267 HydrophobicContact CD2-CE1 3.9Å; Y242-F267 HydrophobicContact CE1-CE1 4.2Å; Y242-F267 HydrophobicContact CE2-CE1 4.27Å; Y242-F267 HydrophobicContact CG-CD1 4.49Å; Y242-F267 AromaticContact CG-CE1 3.67Å; Y242-F267 HydrophobicContact CG-CE1 3.67Å; Y242-F267 HydrophobicContact CG-CZ 4.32Å; W262-F267 HydrophobicContact CE3-CE2 4.07Å; W262-F267 HydrophobicContact CE3-CZ 4.07Å; W262-F267 HydrophobicContact CZ3-CE2 4.34Å; W262-F267 AromaticContact CZ3-CZ 3.9Å; W262-F267 HydrophobicContact CZ3-CZ 3.9Å; S265-F267 VanDerWaalsContact CB-CE2 3.5Å; F267-I292 HydrophobicContact CE1-CG2 4.29Å; F267-I292 HydrophobicContact CZ-CB 4.45Å; F267-T294 CarbonylContact C-O 3.43Å; F267-T294 WeakPolarHBondContact CA-O 3.28Å; F267-T294 HydrophobicContact CD1-CG2 3.59Å; F267-T294 HydrophobicContact CE1-CG2 3.92Å | ||
| 268 | E | 73 | Confident | 68.4 | Low | 151 Ų | 151 | 82.1 Ų | 82.1 | 71% | 0.706 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -139.5 | 143.7 | -173.7 | -68.2 | 175 | -162.1 | 0 | 0 | 110.8 | I266 | I266-E268 VanDerWaalsContact CG2-O 3.3Å; I266-E268 WeakPolarHBondContact CG2-O 3.38Å |
| 269 | K | 61.9 | Low | 67.9 | Low | 93 Ų | 93 | 82 Ų | 82 | 40% | 0.404 | 43% | 0.426 | S | S | . | . | trans | -80.8 | 121.1 | -175.7 | -167.6 | 173.1 | -174.6 | 170.8 | 0 | 111 | I271 | K269-I271 PolarHBondContact O-N 2.9Å; K269-I271 VanDerWaalsContact O-N 3.16Å | ||
| 270 | N | 55.6 | Low | 67.5 | Low | 83 Ų | 83 | 76.7 Ų | 76.7 | 44% | 0.444 | 40% | 0.401 | S | S | . | . | trans | -81.2 | 97.1 | 169.6 | -166.3 | -31.9 | 0 | 0 | 0 | 110.2 | K272 K273 | N270-K272 PolarHBondContact O-N 2.77Å; N270-K272 VanDerWaalsContact O-N 3.09Å; N270-K272 PolarHBondContact OD1-N 3.46Å; N270-K273 PolarHBondContact O-N 3.49Å; N270-K273 VanDerWaalsContact O-N 3.15Å | ||
| 271 | I | 54.3 | Low | 67.4 | Low | 155 Ų | 155 | 75.8 Ų | 75.8 | 80% | 0.795 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -55.6 | -30.9 | -175.4 | -54.6 | 172.8 | 0 | 0 | 0 | 111.9 | K269 | K269-I271 PolarHBondContact O-N 2.9Å; K269-I271 VanDerWaalsContact O-N 3.16Å |
| 272 | K | 50.2 | Low | 66.7 | Low | 198 Ų | 198 | 78.9 Ų | 78.9 | 86% | 0.861 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -74.4 | -31.6 | -178.9 | -71 | -173.4 | 178.2 | -179 | 0 | 114.5 | N270 | N270-K272 PolarHBondContact O-N 2.77Å; N270-K272 VanDerWaalsContact O-N 3.09Å; N270-K272 PolarHBondContact OD1-N 3.46Å |
| 273 | K | 49 | Very low | 66 | Low | 173 Ų | 173 | 78.7 Ų | 78.7 | 75% | 0.752 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -99.1 | 7.5 | -172.2 | -74.4 | -168.9 | 179.9 | -177.9 | 0 | 114.6 | N270 S275 | N270-K273 PolarHBondContact O-N 3.49Å; N270-K273 VanDerWaalsContact O-N 3.15Å; K273-S275 PolarHBondContact O-N 3.04Å |
| 274 | K | 50.2 | Low | 65.6 | Low | 197 Ų | 197 | 77 Ų | 77 | 86% | 0.857 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 40 | -176.3 | -67.1 | -175.5 | 179 | 179.1 | 0 | 112.7 | ||
| 275 | S | 51.4 | Low | 64.9 | Low | 35 Ų | 35 | 77.2 Ų | 77.2 | 25% | 0.245 | 39% | 0.385 | C | S | . | . | trans | -68 | 132.7 | -178.9 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | K273 C277 | K273-S275 PolarHBondContact O-N 3.04Å; S275-C277 PolarHBondContact O-N 3.09Å | ||
| 276 | S | 57.1 | Low | 63.6 | Low | 86 Ų | 86 | 81.2 Ų | 81.2 | 60% | 0.601 | 40% | 0.403 | S | S | * | . | trans | -71.7 | 120.8 | 170.7 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | V278 | S276-V278 PolarHBondContact O-N 3.39Š| ||
| 277 | C | 63.9 | Low | 62.7 | Low | 12 Ų | 12 | 85.7 Ų | 85.7 | 8% | 0.081 | 43% | 0.428 | C | S | . | . | trans | -95.8 | 45.3 | 175.9 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | F95 S275 P279 C295 | F95-C277 WeakPolarHBondContact CE1-O 3.39Å; S275-C277 PolarHBondContact O-N 3.09Å; C277-P279 WeakPolarHBondContact O-CD 3.2Å; C277-C295 HydrophobicContact CB-CB 3.52Å; C277-C295 WeakPolarHBondContact CB-SG 3.18Å; C277-C295 WeakPolarHBondContact SG-CB 3.41Å; C277-C295 CovalentContact SG-SG 2.06Å; C277-C295 PolarHBondContact SG-SG 3.15Å | ||
| 278 | V | 65.3 | Low | 61.9 | Low | 51 Ų | 51 | 89.4 Ų | 89.4 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | trans | -69.6 | 128.1 | 178 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | S276 S280 T293 | S276-V278 PolarHBondContact O-N 3.39Å; V278-S280 PolarHBondContact O-N 3.05Å; V278-S280 VanDerWaalsContact O-N 3.16Å; V278-T293 WeakPolarHBondContact O-CB 3.31Å; V278-T293 PolarHBondContact O-OG1 3.39Å | ||
| 279 | P | 70.8 | Confident | 61.9 | Low | 31 Ų | 31 | 83.7 Ų | 83.7 | 20% | 0.201 | 42% | 0.424 | C | S | . | . | trans | -52 | 112.7 | 172.6 | -31.6 | 40.3 | 0 | 0 | 0 | 112.2 | F95 C277 T293 | F95-P279 HydrophobicContact CE1-CG 4.12Å; F95-P279 HydrophobicContact CE2-CG 4.42Å; F95-P279 HydrophobicContact CZ-CG 3.65Å; C277-P279 WeakPolarHBondContact O-CD 3.2Å; P279-T293 WeakPolarHBondContact CA-O 3.45Å | ||
| 280 | S | 72.4 | Confident | 62.8 | Low | 38 Ų | 38 | 79.4 Ų | 79.4 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 151.6 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | V278 I292 T293 | V278-S280 PolarHBondContact O-N 3.05Å; V278-S280 VanDerWaalsContact O-N 3.16Å; S280-I292 CarbonylContact O-C 3.54Å; S280-I292 WeakPolarHBondContact O-CA 3.42Å; S280-T293 PolarHBondContact N-O 3.4Å; S280-T293 VanDerWaalsContact N-O 3.13Å; S280-T293 PolarHBondContact N-OG1 2.9Å; S280-T293 PolarHBondContact O-N 3.37Å; S280-T293 PolarHBondContact O-OG1 2.91Å |
| 281 | V | 75.8 | Confident | 63.8 | Low | 18 Ų | 18 | 75.5 Ų | 75.5 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.5 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | A291 I292 H309 Q312 L313 F316 | V281-A291 CarbonylContact C-O 3.55Å; V281-A291 WeakPolarHBondContact CA-O 3.42Å; V281-I292 HydrophobicContact CG1-CG1 4.47Å; V281-I292 HydrophobicContact CG2-CG1 4.26Å; V281-H309 HydrophobicContact CG2-CB 3.69Å; V281-Q312 HydrophobicContact CB-CB 4.26Å; V281-Q312 HydrophobicContact CG1-CB 4.47Å; V281-Q312 HydrophobicContact CG2-CB 4.15Å; V281-Q312 VanDerWaalsContact CG2-OE1 3.26Å; V281-L313 HydrophobicContact CG1-CB 4.42Å; V281-F316 HydrophobicContact CG1-CD2 4.49Å; V281-F316 HydrophobicContact CG1-CE2 4.38Å |
| 282 | F | 69.9 | Low | 65.2 | Low | 64 Ų | 64 | 68.1 Ų | 68.1 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.7 | -176.7 | -59.9 | -84.3 | 0 | 0 | 0 | 111.1 | L284 F290 A291 T293 | F282-L284 HydrophobicContact CB-CD2 4.24Å; F282-F290 CarbonylContact O-C 3.59Å; F282-F290 WeakPolarHBondContact O-CA 3.45Å; F282-F290 WeakPolarHBondContact O-CB 3.4Å; F282-A291 HydrophobicContact CB-CB 4.35Å; F282-A291 HydrophobicContact CD2-CB 4.43Å; F282-A291 PolarHBondContact N-O 3.49Å; F282-A291 PolarHBondContact O-N 3.37Å; F282-T293 HydrophobicContact CE2-CG2 4.05Å |
| 283 | N | 69.3 | Low | 66.4 | Low | 24 Ų | 24 | 59.2 Ų | 59.2 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 118.3 | 160 | -175.1 | -13 | 0 | 0 | 0 | 108.2 | F285 F290 F316 | N283-F285 WeakPolarHBondContact O-CD2 3.45Å; N283-F285 VanDerWaalsContact O-CE2 3.24Å; N283-F285 WeakPolarHBondContact O-CE2 3.27Å; N283-F285 PolarHBondContact O-N 3.37Å; N283-F285 PolarHBondContact OD1-N 2.95Å; N283-F290 HydrophobicContact CB-CD1 4.16Å; N283-F290 HydrophobicContact CB-CE1 4.31Å; N283-F316 HydrophobicContact CB-CD1 4.2Å; N283-F316 HydrophobicContact CB-CD2 4.23Å; N283-F316 HydrophobicContact CB-CE1 4.37Å; N283-F316 HydrophobicContact CB-CE2 4.39Å; N283-F316 HydrophobicContact CB-CG 4.14Å; N283-F316 HydrophobicContact CB-CZ 4.46Å |
| 284 | L | 66.1 | Low | 67.9 | Low | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | trans | -85.8 | 5.3 | -174.9 | -59.1 | 174.8 | 0 | 0 | 0 | 112.9 | F282 E286 S289 | F282-L284 HydrophobicContact CB-CD2 4.24Å; L284-E286 PolarHBondContact O-N 3.28Å; L284-E286 VanDerWaalsContact O-N 3.12Å; L284-S289 VanDerWaalsContact CB-O 3.31Å; L284-S289 WeakPolarHBondContact CB-O 3.38Å; L284-S289 PolarHBondContact N-O 3.31Å | ||
| 285 | F | 62.5 | Low | 69.1 | Low | 76 Ų | 76 | 41.9 Ų | 41.9 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 55.9 | 23.4 | 177 | -57.1 | -87.2 | 0 | 0 | 0 | 114.5 | I45 L49 N283 V325 | I45-F285 HydrophobicContact CD1-CD2 4.22Å; I45-F285 HydrophobicContact CG2-CD2 3.49Å; I45-F285 VanDerWaalsContact CG2-CD2 3.49Å; I45-F285 HydrophobicContact CG2-CE2 3.37Å; I45-F285 HydrophobicContact CG2-CZ 4.33Å; L49-F285 HydrophobicContact CD1-CE2 4.43Å; L49-F285 HydrophobicContact CD1-CZ 4.16Å; N283-F285 WeakPolarHBondContact O-CD2 3.45Å; N283-F285 VanDerWaalsContact O-CE2 3.24Å; N283-F285 WeakPolarHBondContact O-CE2 3.27Å; N283-F285 PolarHBondContact O-N 3.37Å; N283-F285 PolarHBondContact OD1-N 2.95Å; F285-V325 HydrophobicContact CD1-CB 4.39Å; F285-V325 HydrophobicContact CD1-CG1 3.95Å; F285-V325 HydrophobicContact CD1-CG2 3.53Å; F285-V325 HydrophobicContact CE1-CG2 4.06Å |
| 286 | E | 57.1 | Low | 70.2 | Confident | 94 Ų | 94 | 41.5 Ų | 41.5 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -127.4 | 130.9 | 174.5 | -69.3 | 178.8 | 175.7 | 0 | 0 | 107.5 | R41 L284 N288 S289 | R41-E286 IonicContact CZ-OE1 3.37Å; R41-E286 IonicContact CZ-OE2 3.64Å; R41-E286 IonicContact NE-OE1 3.19Å; R41-E286 IonicContact NH1-OE1 3.77Å; R41-E286 IonicContact NH1-OE2 3.66Å; R41-E286 IonicContact NH2-OE1 2.65Å; R41-E286 PolarHBondContact NH2-OE1 2.9Å; R41-E286 IonicContact NH2-OE2 3.65Å; L284-E286 PolarHBondContact O-N 3.28Å; L284-E286 VanDerWaalsContact O-N 3.12Å; E286-N288 PolarHBondContact O-N 3.28Å; E286-S289 WeakPolarHBondContact O-CB 3.05Å; E286-S289 PolarHBondContact O-N 3.47Å |
| 287 | D | 60.3 | Low | 70.9 | Confident | 168 Ų | 168 | 43.1 Ų | 43.1 | 90% | 0.898 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -21.2 | 101.6 | -172.5 | -67.7 | -25.8 | 0 | 0 | 0 | 114.5 | S289 | D287-S289 VanDerWaalsContact C-N 3.32Å; D287-S289 PolarHBondContact O-N 2.88Å |
| 288 | N | 63.5 | Low | 71.4 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 29.3 | 176.2 | -70.4 | -23.1 | 0 | 0 | 0 | 117.2 | S260 E286 F290 | S260-N288 PolarHBondContact OG-O 3.41Å; E286-N288 PolarHBondContact O-N 3.28Å; N288-F290 HydrophobicContact CB-CE2 4.39Å |
| 289 | S | 72.7 | Confident | 71.7 | Confident | 31 Ų | 31 | 42.4 Ų | 42.4 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | trans | -99.6 | 115.5 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | L284 E286 D287 | L284-S289 VanDerWaalsContact CB-O 3.31Å; L284-S289 WeakPolarHBondContact CB-O 3.38Å; L284-S289 PolarHBondContact N-O 3.31Å; E286-S289 WeakPolarHBondContact O-CB 3.05Å; E286-S289 PolarHBondContact O-N 3.47Å; D287-S289 VanDerWaalsContact C-N 3.32Å; D287-S289 PolarHBondContact O-N 2.88Å | ||
| 290 | F | 81.6 | Confident | 71.8 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 167.3 | 177.3 | -42.7 | -87.1 | 0 | 0 | 0 | 111.8 | P258 V261 N264 F282 N283 N288 L313 F316 | P258-F290 HydrophobicContact CG-CD2 4.08Å; P258-F290 HydrophobicContact CG-CE2 4.17Å; V261-F290 WeakPolarHBondContact CA-O 3.2Å; V261-F290 HydrophobicContact CG2-CB 3.81Å; V261-F290 HydrophobicContact CG2-CD2 3.91Å; V261-F290 HydrophobicContact CG2-CG 4.34Å; N264-F290 WeakPolarHBondContact CB-O 3.38Å; N264-F290 PolarHBondContact ND2-O 3.22Å; F282-F290 CarbonylContact O-C 3.59Å; F282-F290 WeakPolarHBondContact O-CA 3.45Å; F282-F290 WeakPolarHBondContact O-CB 3.4Å; N283-F290 HydrophobicContact CB-CD1 4.16Å; N283-F290 HydrophobicContact CB-CE1 4.31Å; N288-F290 HydrophobicContact CB-CE2 4.39Å; F290-L313 HydrophobicContact CB-CD1 3.44Å; F290-L313 VanDerWaalsContact CB-CD1 3.44Å; F290-L313 HydrophobicContact CD1-CD1 4.08Å; F290-L313 HydrophobicContact CD2-CD1 3.73Å; F290-L313 HydrophobicContact CG-CD1 3.46Å; F290-L313 VanDerWaalsContact CG-CD1 3.46Å; F290-F316 HydrophobicContact CD1-CB 4.1Å; F290-F316 HydrophobicContact CE1-CB 3.54Å; F290-F316 HydrophobicContact CE1-CG 4.43Å; F290-F316 HydrophobicContact CZ-CB 4.3Å |
| 291 | A | 77.5 | Confident | 71.9 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 142.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N264 V281 F282 | N264-A291 HydrophobicContact CB-CB 3.7Å; V281-A291 CarbonylContact C-O 3.55Å; V281-A291 WeakPolarHBondContact CA-O 3.42Å; F282-A291 HydrophobicContact CB-CB 4.35Å; F282-A291 HydrophobicContact CD2-CB 4.43Å; F282-A291 PolarHBondContact N-O 3.49Å; F282-A291 PolarHBondContact O-N 3.37Å |
| 292 | I | 83 | Confident | 72.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.2 | 175.1 | -56.3 | 176.8 | 0 | 0 | 0 | 109.1 | Y242 V261 S265 I266 F267 S280 V281 M310 L313 | Y242-I292 HydrophobicContact CD1-CD1 4.18Å; Y242-I292 HydrophobicContact CE1-CD1 4.28Å; Y242-I292 HydrophobicContact CE1-CG2 3.87Å; V261-I292 HydrophobicContact CG1-CD1 4.12Å; V261-I292 HydrophobicContact CG1-CG1 4.08Å; S265-I292 CarbonylContact C-O 3.49Å; S265-I292 WeakPolarHBondContact CA-O 3.5Å; S265-I292 WeakPolarHBondContact CB-O 3.26Å; S265-I292 PolarHBondContact OG-N 3.01Å; S265-I292 PolarHBondContact OG-O 3.4Å; I266-I292 PolarHBondContact N-O 3.26Å; F267-I292 HydrophobicContact CE1-CG2 4.29Å; F267-I292 HydrophobicContact CZ-CB 4.45Å; S280-I292 CarbonylContact O-C 3.54Å; S280-I292 WeakPolarHBondContact O-CA 3.42Å; V281-I292 HydrophobicContact CG1-CG1 4.47Å; V281-I292 HydrophobicContact CG2-CG1 4.26Å; I292-M310 HydrophobicContact CD1-SD 4.09Å; I292-L313 HydrophobicContact CD1-CD2 4.43Å |
| 293 | T | 75.3 | Confident | 72.8 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.5 | 171.3 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | I266 V278 P279 S280 F282 | I266-T293 HydrophobicContact CB-CG2 4.25Å; I266-T293 HydrophobicContact CD1-CG2 4.3Å; I266-T293 HydrophobicContact CG1-CG2 4.45Å; I266-T293 WeakPolarHBondContact O-CA 3.4Å; V278-T293 WeakPolarHBondContact O-CB 3.31Å; V278-T293 PolarHBondContact O-OG1 3.39Å; P279-T293 WeakPolarHBondContact CA-O 3.45Å; S280-T293 PolarHBondContact N-O 3.4Å; S280-T293 VanDerWaalsContact N-O 3.13Å; S280-T293 PolarHBondContact N-OG1 2.9Å; S280-T293 PolarHBondContact O-N 3.37Å; S280-T293 PolarHBondContact O-OG1 2.91Å; F282-T293 HydrophobicContact CE2-CG2 4.05Å |
| 294 | T | 81 | Confident | 73.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -160.8 | 151.9 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | L238 Y242 I266 F267 E305 | L238-T294 HydrophobicContact CD2-CG2 3.38Å; Y242-T294 HydrophobicContact CE1-CG2 4.47Å; Y242-T294 HydrophobicContact CE2-CG2 3.7Å; Y242-T294 WeakPolarHBondContact OH-CG2 3.32Å; I266-T294 PolarHBondContact O-N 3.01Å; F267-T294 CarbonylContact C-O 3.43Å; F267-T294 WeakPolarHBondContact CA-O 3.28Å; F267-T294 HydrophobicContact CD1-CG2 3.59Å; F267-T294 HydrophobicContact CE1-CG2 3.92Å; T294-E305 WeakPolarHBondContact CB-OE1 3.22Å; T294-E305 PolarHBondContact OG1-OE1 3.28Å | ||
| 295 | C | 75 | Confident | 74.2 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | trans | -145.9 | 151 | 179 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | C277 K302 | C277-C295 HydrophobicContact CB-CB 3.52Å; C277-C295 WeakPolarHBondContact CB-SG 3.18Å; C277-C295 WeakPolarHBondContact SG-CB 3.41Å; C277-C295 CovalentContact SG-SG 2.06Å; C277-C295 PolarHBondContact SG-SG 3.15Å; C295-K302 PolarHBondContact O-NZ 3Å | ||
| 296 | G | 74.1 | Confident | 75.4 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 141.8 | -168.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L238 | L238-G296 VanDerWaalsContact CD1-C 3.45Å; L238-G296 WeakPolarHBondContact CD1-O 3.23Å |
| 297 | N | 71.8 | Confident | 77 | Confident | 120 Ų | 120 | 31.3 Ų | 31.3 | 64% | 0.642 | 18% | 0.181 | S | C | * | . | trans | -96.6 | 151.8 | 172.6 | -71.7 | -25.5 | 0 | 0 | 0 | 111.5 | T299 K302 | N297-T299 PolarHBondContact O-N 3.42Å; N297-K302 VanDerWaalsContact O-CG 3.3Å; N297-K302 WeakPolarHBondContact O-CG 3.4Å | ||
| 298 | A | 74.1 | Confident | 78.2 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 12% | 0.116 | 15% | 0.147 | C | C | . | . | trans | -70.5 | 93.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L241 | L241-A298 HydrophobicContact CD2-CB 4.47Š| ||
| 299 | T | 72.6 | Confident | 79.4 | Confident | 34 Ų | 34 | 22 Ų | 22 | 21% | 0.209 | 13% | 0.127 | C | C | . | . | trans | -109 | 167.9 | 174 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | N297 S301 K302 V303 | N297-T299 PolarHBondContact O-N 3.42Å; T299-S301 VanDerWaalsContact C-N 3.25Å; T299-S301 PolarHBondContact O-N 2.99Å; T299-K302 WeakPolarHBondContact O-CA 3.43Å; T299-K302 WeakPolarHBondContact O-CB 3.5Å; T299-K302 PolarHBondContact O-N 3.03Å; T299-K302 PolarHBondContact OG1-N 3.31Å; T299-V303 PolarHBondContact O-N 2.86Å | ||
| 300 | K | 72.5 | Confident | 80.2 | Confident | 60 Ų | 60 | 20.5 Ų | 20.5 | 26% | 0.261 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -52 | -42.9 | 173.3 | -175.6 | -179.9 | 177.2 | -174.9 | 0 | 112.5 | K302 V303 S304 | K300-K302 VanDerWaalsContact C-N 3.32Å; K300-K302 PolarHBondContact O-N 2.68Å; K300-V303 WeakPolarHBondContact O-CB 3.31Å; K300-V303 PolarHBondContact O-N 3.31Å; K300-V303 VanDerWaalsContact O-N 3.12Å; K300-S304 PolarHBondContact O-N 2.65Å |
| 301 | S | 73.9 | Confident | 80.6 | Confident | 50 Ų | 50 | 20.3 Ų | 20.3 | 35% | 0.35 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 176.9 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | T299 V303 S304 E305 | T299-S301 VanDerWaalsContact C-N 3.25Å; T299-S301 PolarHBondContact O-N 2.99Å; S301-V303 VanDerWaalsContact C-N 3.35Å; S301-V303 PolarHBondContact O-N 2.8Å; S301-S304 PolarHBondContact O-N 3.25Å; S301-E305 PolarHBondContact O-N 3.42Å |
| 302 | K | 81.1 | Confident | 81 | Confident | 11 Ų | 11 | 21.7 Ų | 21.7 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.6 | -25.6 | 173.6 | -71.4 | -61.7 | -175 | -179.7 | 0 | 114.2 | L238 L241 C295 N297 T299 K300 E305 A306 | L238-K302 HydrophobicContact CD1-CD 4.48Å; L238-K302 HydrophobicContact CD1-CG 4.38Å; L241-K302 HydrophobicContact CD2-CB 4.43Å; C295-K302 PolarHBondContact O-NZ 3Å; N297-K302 VanDerWaalsContact O-CG 3.3Å; N297-K302 WeakPolarHBondContact O-CG 3.4Å; T299-K302 WeakPolarHBondContact O-CA 3.43Å; T299-K302 WeakPolarHBondContact O-CB 3.5Å; T299-K302 PolarHBondContact O-N 3.03Å; T299-K302 PolarHBondContact OG1-N 3.31Å; K300-K302 VanDerWaalsContact C-N 3.32Å; K300-K302 PolarHBondContact O-N 2.68Å; K302-E305 IonicContact NZ-OE1 2.66Å; K302-E305 PolarHBondContact NZ-OE1 2.84Å; K302-E305 IonicContact NZ-OE2 3.79Å; K302-E305 PolarHBondContact NZ-OE2 2.92Å; K302-A306 WeakPolarHBondContact O-CB 3.45Å; K302-A306 PolarHBondContact O-N 2.93Å |
| 303 | V | 83.5 | Confident | 81.2 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.036 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -49.7 | 171.1 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | L231 L241 T299 K300 S301 E305 A306 F307 M348 | L231-V303 HydrophobicContact CD1-CG2 3.86Å; L241-V303 HydrophobicContact CD1-CG2 4.07Å; L241-V303 HydrophobicContact CD2-CG2 4.36Å; T299-V303 PolarHBondContact O-N 2.86Å; K300-V303 WeakPolarHBondContact O-CB 3.31Å; K300-V303 PolarHBondContact O-N 3.31Å; K300-V303 VanDerWaalsContact O-N 3.12Å; S301-V303 VanDerWaalsContact C-N 3.35Å; S301-V303 PolarHBondContact O-N 2.8Å; V303-E305 VanDerWaalsContact C-N 3.34Å; V303-E305 PolarHBondContact O-N 3.03Å; V303-A306 PolarHBondContact O-N 3.19Å; V303-F307 HydrophobicContact CG1-CD2 3.99Å; V303-F307 HydrophobicContact CG1-CE2 3.78Å; V303-F307 WeakPolarHBondContact O-CD2 3.34Å; V303-F307 PolarHBondContact O-N 2.92Å; V303-M348 HydrophobicContact CG1-CE 3.89Å; V303-M348 HydrophobicContact CG1-SD 4.1Å |
| 304 | S | 82.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.5 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | K300 S301 A306 F307 R308 E344 Q379 | K300-S304 PolarHBondContact O-N 2.65Å; S301-S304 PolarHBondContact O-N 3.25Å; S304-A306 VanDerWaalsContact C-N 3.32Å; S304-A306 PolarHBondContact O-N 3.16Å; S304-F307 PolarHBondContact O-N 3.01Å; S304-R308 PolarHBondContact O-N 3.35Å; S304-R308 VanDerWaalsContact O-N 3.09Å; S304-E344 WeakPolarHBondContact CA-OE1 3.43Å; S304-E344 WeakPolarHBondContact CB-OE1 3.26Å; S304-E344 PolarHBondContact OG-OE1 3Å; S304-Q379 PolarHBondContact OG-NE2 2.94Å |
| 305 | E | 82.7 | Confident | 82 | Confident | 19 Ų | 19 | 21.6 Ų | 21.6 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 176.1 | -169.9 | -169.3 | 103.4 | 0 | 0 | 112 | Y242 T294 S301 K302 V303 R308 H309 | Y242-E305 PolarHBondContact OH-OE1 3.42Å; T294-E305 WeakPolarHBondContact CB-OE1 3.22Å; T294-E305 PolarHBondContact OG1-OE1 3.28Å; S301-E305 PolarHBondContact O-N 3.42Å; K302-E305 IonicContact NZ-OE1 2.66Å; K302-E305 PolarHBondContact NZ-OE1 2.84Å; K302-E305 IonicContact NZ-OE2 3.79Å; K302-E305 PolarHBondContact NZ-OE2 2.92Å; V303-E305 VanDerWaalsContact C-N 3.34Å; V303-E305 PolarHBondContact O-N 3.03Å; E305-R308 PolarHBondContact O-N 2.89Å; E305-H309 PolarHBondContact O-N 2.91Å; E305-H309 IonicContact OE1-CE1 2.93Å |
| 306 | A | 87.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L241 Y242 V245 K302 V303 S304 M310 | L241-A306 HydrophobicContact CD2-CB 4.35Å; L241-A306 HydrophobicContact CG-CB 4.28Å; Y242-A306 HydrophobicContact CD1-CB 4.43Å; Y242-A306 HydrophobicContact CD2-CB 3.83Å; Y242-A306 HydrophobicContact CE1-CB 4.2Å; Y242-A306 HydrophobicContact CE2-CB 3.55Å; Y242-A306 HydrophobicContact CG-CB 4.27Å; V245-A306 HydrophobicContact CG2-CB 3.88Å; K302-A306 WeakPolarHBondContact O-CB 3.45Å; K302-A306 PolarHBondContact O-N 2.93Å; V303-A306 PolarHBondContact O-N 3.19Å; S304-A306 VanDerWaalsContact C-N 3.32Å; S304-A306 PolarHBondContact O-N 3.16Å; A306-M310 WeakPolarHBondContact O-CB 3.15Å; A306-M310 VanDerWaalsContact O-CG 3.32Å; A306-M310 WeakPolarHBondContact O-CG 3.18Å; A306-M310 PolarHBondContact O-N 3.48Å; A306-M310 VanDerWaalsContact O-N 3.1Å |
| 307 | F | 91 | Very high | 82.8 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.6 | -83.5 | -71.7 | 0 | 0 | 0 | 112.2 | V245 C248 F249 V303 S304 M310 G311 G340 V343 E344 A347 M348 | V245-F307 HydrophobicContact CB-CE1 4.4Å; V245-F307 HydrophobicContact CG1-CD1 3.59Å; V245-F307 HydrophobicContact CG1-CE1 3.8Å; V245-F307 HydrophobicContact CG1-CG 4.03Å; V245-F307 HydrophobicContact CG1-CZ 4.44Å; V245-F307 HydrophobicContact CG2-CD1 4.34Å; V245-F307 HydrophobicContact CG2-CD2 4.12Å; V245-F307 HydrophobicContact CG2-CE1 4.15Å; V245-F307 HydrophobicContact CG2-CE2 3.94Å; V245-F307 HydrophobicContact CG2-CG 4.3Å; V245-F307 HydrophobicContact CG2-CZ 3.95Å; C248-F307 HydrophobicContact CB-CE1 4.1Å; F249-F307 HydrophobicContact CE2-CD1 4.04Å; V303-F307 HydrophobicContact CG1-CD2 3.99Å; V303-F307 HydrophobicContact CG1-CE2 3.78Å; V303-F307 WeakPolarHBondContact O-CD2 3.34Å; V303-F307 PolarHBondContact O-N 2.92Å; S304-F307 PolarHBondContact O-N 3.01Å; F307-M310 PolarHBondContact O-N 3.35Å; F307-G311 PolarHBondContact O-N 3.17Å; F307-G340 WeakPolarHBondContact O-CA 3.05Å; F307-V343 HydrophobicContact CD1-CB 4.03Å; F307-V343 HydrophobicContact CD1-CG1 4.01Å; F307-V343 HydrophobicContact CE1-CB 4.17Å; F307-V343 HydrophobicContact CE1-CG1 3.66Å; F307-E344 HydrophobicContact CB-CB 3.96Å; F307-E344 HydrophobicContact CD1-CB 4.33Å; F307-E344 HydrophobicContact CD2-CB 3.83Å; F307-E344 HydrophobicContact CD2-CG 3.89Å; F307-E344 HydrophobicContact CE2-CB 4.45Å; F307-E344 HydrophobicContact CE2-CG 4.42Å; F307-E344 HydrophobicContact CG-CB 3.78Å; F307-E344 HydrophobicContact CG-CG 4.33Å; F307-A347 HydrophobicContact CE1-CB 4.4Å; F307-A347 HydrophobicContact CE2-CB 4.5Å; F307-A347 HydrophobicContact CZ-CB 3.8Å; F307-M348 HydrophobicContact CE2-CE 4.07Å; F307-M348 HydrophobicContact CZ-CE 4.5Å |
| 308 | R | 86.2 | Confident | 83.4 | Confident | 53 Ų | 53 | 16.6 Ų | 16.6 | 20% | 0.2 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 178.2 | -172.1 | 175.9 | 62.5 | -148.9 | -1.1 | 112.5 | S304 E305 M310 G311 Q312 D337 | S304-R308 PolarHBondContact O-N 3.35Å; S304-R308 VanDerWaalsContact O-N 3.09Å; E305-R308 PolarHBondContact O-N 2.89Å; R308-M310 VanDerWaalsContact C-N 3.32Å; R308-M310 PolarHBondContact O-N 2.89Å; R308-G311 PolarHBondContact O-N 2.97Å; R308-Q312 PolarHBondContact O-N 2.97Å; R308-Q312 VanDerWaalsContact O-N 3.07Å; R308-D337 WeakPolarHBondContact CD-OD1 3.29Å; R308-D337 HydrophobicContact CG-CB 4.19Å; R308-D337 WeakPolarHBondContact CG-OD1 3.41Å |
| 309 | H | 88.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.019 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 178.6 | -71.1 | 162 | 0 | 0 | 0 | 113.1 | Y242 V281 E305 G311 Q312 L313 | Y242-H309 HydrophobicContact CE1-CB 3.91Å; Y242-H309 AromaticContact CE1-ND1 3.86Å; Y242-H309 AromaticContact CZ-ND1 3.72Å; Y242-H309 PolarHBondContact OH-ND1 3.25Å; V281-H309 HydrophobicContact CG2-CB 3.69Å; E305-H309 PolarHBondContact O-N 2.91Å; E305-H309 IonicContact OE1-CE1 2.93Å; H309-G311 VanDerWaalsContact C-N 3.32Å; H309-Q312 WeakPolarHBondContact O-CB 3.23Å; H309-Q312 PolarHBondContact O-N 3.06Å; H309-L313 PolarHBondContact O-N 3.12Å |
| 310 | M | 89.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.4 | -32.1 | 177.2 | -71.2 | -59.8 | -60.5 | 0 | 0 | 112 | Y242 V245 D246 F249 A257 W262 I292 A306 F307 R308 L313 Q314 | Y242-M310 HydrophobicContact CD1-CG 4.3Å; Y242-M310 HydrophobicContact CD1-SD 4.32Å; V245-M310 HydrophobicContact CB-CG 4.32Å; V245-M310 HydrophobicContact CG1-CB 3.76Å; V245-M310 HydrophobicContact CG1-CG 3.63Å; D246-M310 HydrophobicContact CB-CE 3.59Å; D246-M310 WeakPolarHBondContact OD1-CE 3.39Å; F249-M310 HydrophobicContact CD2-CB 3.85Å; F249-M310 HydrophobicContact CE2-CB 3.42Å; F249-M310 VanDerWaalsContact CE2-CB 3.42Å; F249-M310 HydrophobicContact CZ-CB 4.04Å; A257-M310 HydrophobicContact CB-CE 4.32Å; W262-M310 HydrophobicContact CH2-SD 4.34Å; I292-M310 HydrophobicContact CD1-SD 4.09Å; A306-M310 WeakPolarHBondContact O-CB 3.15Å; A306-M310 VanDerWaalsContact O-CG 3.32Å; A306-M310 WeakPolarHBondContact O-CG 3.18Å; A306-M310 PolarHBondContact O-N 3.48Å; A306-M310 VanDerWaalsContact O-N 3.1Å; F307-M310 PolarHBondContact O-N 3.35Å; R308-M310 VanDerWaalsContact C-N 3.32Å; R308-M310 PolarHBondContact O-N 2.89Å; M310-L313 HydrophobicContact CE-CD2 4.19Å; M310-L313 PolarHBondContact O-N 3.06Å; M310-L313 HydrophobicContact SD-CD2 4.18Å; M310-Q314 WeakPolarHBondContact O-CG 3.37Å; M310-Q314 PolarHBondContact O-N 3.19Å; M310-Q314 VanDerWaalsContact O-N 3.1Å |
| 311 | G | 88.3 | Confident | 84 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F307 R308 H309 L313 Q314 Y315 A336 | F307-G311 PolarHBondContact O-N 3.17Å; R308-G311 PolarHBondContact O-N 2.97Å; H309-G311 VanDerWaalsContact C-N 3.32Å; G311-L313 PolarHBondContact O-N 2.97Å; G311-Q314 PolarHBondContact O-N 3.07Å; G311-Y315 PolarHBondContact O-N 3.39Å; G311-Y315 VanDerWaalsContact O-N 3.1Å; G311-A336 CarbonylContact C-O 3.47Å; G311-A336 WeakPolarHBondContact CA-O 2.91Å |
| 312 | Q | 86 | Confident | 83.9 | Confident | 31 Ų | 31 | 22 Ų | 22 | 15% | 0.145 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 174.7 | -69 | -177.7 | -16.4 | 0 | 0 | 113 | V281 R308 H309 Q314 Y315 F316 A336 D337 | V281-Q312 HydrophobicContact CB-CB 4.26Å; V281-Q312 HydrophobicContact CG1-CB 4.47Å; V281-Q312 HydrophobicContact CG2-CB 4.15Å; V281-Q312 VanDerWaalsContact CG2-OE1 3.26Å; R308-Q312 PolarHBondContact O-N 2.97Å; R308-Q312 VanDerWaalsContact O-N 3.07Å; H309-Q312 WeakPolarHBondContact O-CB 3.23Å; H309-Q312 PolarHBondContact O-N 3.06Å; Q312-Q314 PolarHBondContact O-N 3.27Å; Q312-Y315 PolarHBondContact O-N 2.65Å; Q312-F316 WeakPolarHBondContact O-CD2 3.43Å; Q312-F316 PolarHBondContact O-N 3.13Å; Q312-A336 HydrophobicContact CB-CB 4.46Å; Q312-A336 HydrophobicContact CG-CB 4.21Å; Q312-A336 PolarHBondContact N-O 3.44Å; Q312-D337 WeakPolarHBondContact CG-OD1 3.33Å; Q312-D337 PolarHBondContact NE2-OD1 3.23Å |
| 313 | L | 87.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.6 | -179.8 | 65.4 | 0 | 0 | 0 | 112.2 | A257 V261 V281 F290 I292 H309 M310 G311 F316 K317 | A257-L313 HydrophobicContact CB-CD2 3.62Å; V261-L313 HydrophobicContact CG1-CD1 4.42Å; V261-L313 HydrophobicContact CG1-CD2 4Å; V261-L313 HydrophobicContact CG2-CD1 4.02Å; V261-L313 HydrophobicContact CG2-CD2 4.23Å; V281-L313 HydrophobicContact CG1-CB 4.42Å; F290-L313 HydrophobicContact CB-CD1 3.44Å; F290-L313 VanDerWaalsContact CB-CD1 3.44Å; F290-L313 HydrophobicContact CD1-CD1 4.08Å; F290-L313 HydrophobicContact CD2-CD1 3.73Å; F290-L313 HydrophobicContact CG-CD1 3.46Å; F290-L313 VanDerWaalsContact CG-CD1 3.46Å; I292-L313 HydrophobicContact CD1-CD2 4.43Å; H309-L313 PolarHBondContact O-N 3.12Å; M310-L313 HydrophobicContact CE-CD2 4.19Å; M310-L313 PolarHBondContact O-N 3.06Å; M310-L313 HydrophobicContact SD-CD2 4.18Å; G311-L313 PolarHBondContact O-N 2.97Å; L313-F316 PolarHBondContact O-N 3.39Å; L313-K317 PolarHBondContact O-N 2.69Å |
| 314 | Q | 87.4 | Confident | 82.8 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 178.4 | -72.8 | -65.9 | -17.5 | 0 | 0 | 112.1 | F249 L254 T255 M310 G311 Q312 K317 Q318 | F249-Q314 HydrophobicContact CD1-CG 3.97Å; F249-Q314 HydrophobicContact CE1-CG 4.28Å; L254-Q314 HydrophobicContact CD1-CG 4.44Å; T255-Q314 PolarHBondContact O-NE2 3.17Å; M310-Q314 WeakPolarHBondContact O-CG 3.37Å; M310-Q314 PolarHBondContact O-N 3.19Å; M310-Q314 VanDerWaalsContact O-N 3.1Å; G311-Q314 PolarHBondContact O-N 3.07Å; Q312-Q314 PolarHBondContact O-N 3.27Å; Q314-K317 PolarHBondContact O-N 3.48Å; Q314-Q318 VanDerWaalsContact O-CG 3.28Å; Q314-Q318 WeakPolarHBondContact O-CG 3.44Å; Q314-Q318 PolarHBondContact O-N 3.37Å |
| 315 | Y | 85.3 | Confident | 81.8 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 174.9 | 170.3 | -105 | 0 | 0 | 0 | 112.5 | G311 Q312 K317 Q318 C319 A336 L492 | G311-Y315 PolarHBondContact O-N 3.39Å; G311-Y315 VanDerWaalsContact O-N 3.1Å; Q312-Y315 PolarHBondContact O-N 2.65Å; Y315-K317 PolarHBondContact O-N 3.34Å; Y315-Q318 PolarHBondContact O-N 3.01Å; Y315-C319 WeakPolarHBondContact O-CB 3.4Å; Y315-C319 PolarHBondContact O-N 3.38Å; Y315-A336 VanDerWaalsContact CB-CB 3.4Å; Y315-A336 HydrophobicContact CD1-CB 4.11Å; Y315-A336 HydrophobicContact CG-CB 3.78Å; Y315-L492 HydrophobicContact CD2-CB 4.15Å; Y315-L492 HydrophobicContact CD2-CD2 3.72Å; Y315-L492 HydrophobicContact CD2-CG 4.46Å; Y315-L492 HydrophobicContact CG-CD2 4.49Å |
| 316 | F | 82.2 | Confident | 80.7 | Confident | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | -179.2 | -68.2 | -51.7 | 0 | 0 | 0 | 112.4 | V281 N283 F290 Q312 L313 G320 | V281-F316 HydrophobicContact CG1-CD2 4.49Å; V281-F316 HydrophobicContact CG1-CE2 4.38Å; N283-F316 HydrophobicContact CB-CD1 4.2Å; N283-F316 HydrophobicContact CB-CD2 4.23Å; N283-F316 HydrophobicContact CB-CE1 4.37Å; N283-F316 HydrophobicContact CB-CE2 4.39Å; N283-F316 HydrophobicContact CB-CG 4.14Å; N283-F316 HydrophobicContact CB-CZ 4.46Å; F290-F316 HydrophobicContact CD1-CB 4.1Å; F290-F316 HydrophobicContact CE1-CB 3.54Å; F290-F316 HydrophobicContact CE1-CG 4.43Å; F290-F316 HydrophobicContact CZ-CB 4.3Å; Q312-F316 WeakPolarHBondContact O-CD2 3.43Å; Q312-F316 PolarHBondContact O-N 3.13Å; L313-F316 PolarHBondContact O-N 3.39Å; F316-G320 PolarHBondContact O-N 3.27Å |
| 317 | K | 84.4 | Confident | 79.8 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.9 | -51.9 | 177.3 | -172.5 | -178.5 | 179.9 | -175.4 | 0 | 111.9 | T255 K256 L313 Q314 Y315 C319 G320 E321 | T255-K317 PolarHBondContact O-NZ 3.4Å; T255-K317 VanDerWaalsContact OG1-CE 3.23Å; T255-K317 WeakPolarHBondContact OG1-CE 3.49Å; T255-K317 PolarHBondContact OG1-NZ 3.34Å; K256-K317 PolarHBondContact O-NZ 2.84Å; L313-K317 PolarHBondContact O-N 2.69Å; Q314-K317 PolarHBondContact O-N 3.48Å; Y315-K317 PolarHBondContact O-N 3.34Å; K317-C319 PolarHBondContact O-N 3.48Å; K317-G320 PolarHBondContact O-N 3.32Å; K317-E321 WeakPolarHBondContact O-CG 3.4Å; K317-E321 PolarHBondContact O-N 2.92Å |
| 318 | Q | 85.2 | Confident | 78.6 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | -176.6 | -64.1 | -57.1 | -33.8 | 0 | 0 | 112.4 | Q314 Y315 A489 L492 S493 | Q314-Q318 VanDerWaalsContact O-CG 3.28Å; Q314-Q318 WeakPolarHBondContact O-CG 3.44Å; Q314-Q318 PolarHBondContact O-N 3.37Å; Y315-Q318 PolarHBondContact O-N 3.01Å; Q318-A489 HydrophobicContact CG-CB 4.33Å; Q318-L492 HydrophobicContact CB-CB 3.81Å; Q318-L492 HydrophobicContact CG-CB 4.37Å; Q318-L492 HydrophobicContact CG-CD1 4.39Å; Q318-S493 WeakPolarHBondContact O-CA 3.23Å; Q318-S493 PolarHBondContact O-OG 3.48Å |
| 319 | C | 80 | Confident | 77.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68 | -47.4 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | Y315 K317 E321 Q322 Q323 C328 S493 G495 | Y315-C319 WeakPolarHBondContact O-CB 3.4Å; Y315-C319 PolarHBondContact O-N 3.38Å; K317-C319 PolarHBondContact O-N 3.48Å; C319-E321 PolarHBondContact O-N 3.02Å; C319-E321 VanDerWaalsContact O-N 3.16Å; C319-Q322 PolarHBondContact O-N 3.46Å; C319-Q322 VanDerWaalsContact O-N 3.08Å; C319-Q323 PolarHBondContact O-N 3.3Å; C319-C328 HydrophobicContact CB-CB 3.8Å; C319-C328 WeakPolarHBondContact CB-SG 3.37Å; C319-C328 PolarHBondContact O-SG 3.05Å; C319-C328 WeakPolarHBondContact SG-CA 3.49Å; C319-C328 WeakPolarHBondContact SG-CB 3.38Å; C319-C328 CovalentContact SG-SG 2.04Å; C319-C328 PolarHBondContact SG-SG 3.02Å; C319-S493 WeakPolarHBondContact CA-O 3.4Å; C319-G495 VanDerWaalsContact SG-CA 3.52Å |
| 320 | G | 75.1 | Confident | 75.8 | Confident | 39 Ų | 39 | 39 Ų | 39 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -21.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F316 K317 C328 | F316-G320 PolarHBondContact O-N 3.27Å; K317-G320 PolarHBondContact O-N 3.32Å; G320-C328 PolarHBondContact N-SG 2.92Å; G320-C328 VanDerWaalsContact N-SG 3.4Å |
| 321 | E | 75 | Confident | 73.8 | Confident | 113 Ų | 113 | 41 Ų | 41 | 53% | 0.528 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.6 | -28.2 | 174.3 | -77.7 | 178.6 | -169 | 0 | 0 | 113.5 | K317 C319 | K317-E321 WeakPolarHBondContact O-CG 3.4Å; K317-E321 PolarHBondContact O-N 2.92Å; C319-E321 PolarHBondContact O-N 3.02Å; C319-E321 VanDerWaalsContact O-N 3.16Å |
| 322 | Q | 73.4 | Confident | 72.1 | Confident | 120 Ų | 120 | 41.5 Ų | 41.5 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -116.3 | -22.3 | -175.5 | -66.6 | -163.8 | 6.2 | 0 | 0 | 114.5 | C319 | C319-Q322 PolarHBondContact O-N 3.46Å; C319-Q322 VanDerWaalsContact O-N 3.08Å |
| 323 | Q | 74.3 | Confident | 70.7 | Confident | 42 Ų | 42 | 41.1 Ų | 41.1 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -124.6 | 146.2 | -168.7 | -57 | -63.9 | -32.2 | 0 | 0 | 111.5 | C319 F327 S493 P494 S497 | C319-Q323 PolarHBondContact O-N 3.3Å; Q323-F327 HydrophobicContact CB-CB 4.07Å; Q323-S493 WeakPolarHBondContact CG-O 3.45Å; Q323-P494 WeakPolarHBondContact CG-O 3.45Å; Q323-S497 PolarHBondContact NE2-OG 3Å; Q323-S497 PolarHBondContact OE1-OG 3.09Å |
| 324 | P | 65.9 | Low | 70 | Confident | 77 Ų | 77 | 41.2 Ų | 41.2 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | trans | -52.2 | 141.5 | 165.5 | -25.3 | 32.4 | 0 | 0 | 0 | 111.4 | V326 F327 | P324-V326 HydrophobicContact CB-CG2 4.08Å; P324-V326 PolarHBondContact O-N 2.89Å; P324-F327 HydrophobicContact CB-CD2 4.01Å; P324-F327 HydrophobicContact CB-CE2 4.41Å; P324-F327 HydrophobicContact CG-CD2 4.04Å; P324-F327 HydrophobicContact CG-CE2 4.17Å; P324-F327 WeakPolarHBondContact O-CB 3.4Å; P324-F327 PolarHBondContact O-N 3.29Å | ||
| 325 | V | 62.9 | Low | 69.4 | Low | 64 Ų | 64 | 41.6 Ų | 41.6 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -56.9 | -24 | -172.3 | 86.9 | 0 | 0 | 0 | 0 | 114.3 | F285 F327 C328 | F285-V325 HydrophobicContact CD1-CB 4.39Å; F285-V325 HydrophobicContact CD1-CG1 3.95Å; F285-V325 HydrophobicContact CD1-CG2 3.53Å; F285-V325 HydrophobicContact CE1-CG2 4.06Å; V325-F327 PolarHBondContact O-N 3.1Å; V325-C328 CarbonylContact O-C 3.56Å; V325-C328 WeakPolarHBondContact O-CA 3.39Å; V325-C328 PolarHBondContact O-N 3.29Å |
| 326 | V | 58.7 | Low | 68.8 | Low | 67 Ų | 67 | 41.3 Ų | 41.3 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -64 | -25.6 | 175.2 | -65 | 0 | 0 | 0 | 0 | 113.1 | P324 R329 | P324-V326 HydrophobicContact CB-CG2 4.08Å; P324-V326 PolarHBondContact O-N 2.89Å; V326-R329 WeakPolarHBondContact O-CD 3.33Å; V326-R329 VanDerWaalsContact O-CG 3.29Å; V326-R329 WeakPolarHBondContact O-CG 3.37Å; V326-R329 PolarHBondContact O-NE 3.09Å |
| 327 | F | 68 | Low | 68.6 | Low | 78 Ų | 78 | 41 Ų | 41 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -86.2 | -12.2 | 172 | -64.4 | -71.3 | 0 | 0 | 0 | 112.5 | Q323 P324 V325 R329 L496 | Q323-F327 HydrophobicContact CB-CB 4.07Å; P324-F327 HydrophobicContact CB-CD2 4.01Å; P324-F327 HydrophobicContact CB-CE2 4.41Å; P324-F327 HydrophobicContact CG-CD2 4.04Å; P324-F327 HydrophobicContact CG-CE2 4.17Å; P324-F327 WeakPolarHBondContact O-CB 3.4Å; P324-F327 PolarHBondContact O-N 3.29Å; V325-F327 PolarHBondContact O-N 3.1Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 3.31Å; F327-L496 HydrophobicContact CB-CB 4.3Å; F327-L496 HydrophobicContact CD1-CB 4.05Å; F327-L496 WeakPolarHBondContact O-CB 3.47Å; F327-L496 WeakPolarHBondContact O-CG 3.44Å; F327-L496 PolarHBondContact O-N 2.89Å |
| 328 | C | 66.5 | Low | 68.8 | Low | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -99.6 | 39.2 | 179.7 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | C319 G320 V325 | C319-C328 HydrophobicContact CB-CB 3.8Å; C319-C328 WeakPolarHBondContact CB-SG 3.37Å; C319-C328 PolarHBondContact O-SG 3.05Å; C319-C328 WeakPolarHBondContact SG-CA 3.49Å; C319-C328 WeakPolarHBondContact SG-CB 3.38Å; C319-C328 CovalentContact SG-SG 2.04Å; C319-C328 PolarHBondContact SG-SG 3.02Å; G320-C328 PolarHBondContact N-SG 2.92Å; G320-C328 VanDerWaalsContact N-SG 3.4Å; V325-C328 CarbonylContact O-C 3.56Å; V325-C328 WeakPolarHBondContact O-CA 3.39Å; V325-C328 PolarHBondContact O-N 3.29Å |
| 329 | R | 62.4 | Low | 68.8 | Low | 59 Ų | 59 | 39.5 Ų | 39.5 | 22% | 0.223 | 22% | 0.222 | C | C | . | . | trans | -79.1 | 163.3 | -179.9 | -74.1 | 178 | -164 | -141.4 | -4.6 | 112.3 | E52 V326 F327 V331 L496 | E52-R329 IonicContact OE2-CZ 3.06Å; E52-R329 IonicContact OE2-NH1 3.9Å; E52-R329 IonicContact OE2-NH2 3.56Å; E52-R329 PolarHBondContact OE2-NH2 2.76Å; V326-R329 WeakPolarHBondContact O-CD 3.33Å; V326-R329 VanDerWaalsContact O-CG 3.29Å; V326-R329 WeakPolarHBondContact O-CG 3.37Å; V326-R329 PolarHBondContact O-NE 3.09Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 3.31Å; R329-V331 VanDerWaalsContact C-N 3.31Å; R329-V331 PolarHBondContact O-N 3.26Å; R329-L496 HydrophobicContact CB-CD1 3.95Å | ||
| 330 | S | 52.8 | Low | 69.1 | Low | 70 Ų | 70 | 39.5 Ų | 39.5 | 49% | 0.49 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -72.7 | -14.9 | -179.9 | 53.9 | 0 | 0 | 0 | 0 | 115 | G332 T333 | S330-G332 PolarHBondContact O-N 3.09Å; S330-G332 VanDerWaalsContact O-N 3.15Å; S330-T333 VanDerWaalsContact O-CB 3.29Å; S330-T333 WeakPolarHBondContact O-CB 3.06Å; S330-T333 WeakPolarHBondContact O-CG2 3.31Å; S330-T333 PolarHBondContact O-N 3.45Å; S330-T333 PolarHBondContact O-OG1 3.42Å |
| 331 | V | 49.6 | Very low | 69.8 | Low | 44 Ų | 44 | 37.9 Ų | 37.9 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -73.4 | -13.1 | -168.8 | -155.7 | 0 | 0 | 0 | 0 | 113 | L152 R329 | L152-V331 HydrophobicContact CB-CG1 3.65Å; L152-V331 HydrophobicContact CD1-CG1 3.6Å; L152-V331 HydrophobicContact CD2-CG1 4.07Å; L152-V331 HydrophobicContact CG-CG1 3.97Å; R329-V331 VanDerWaalsContact C-N 3.31Å; R329-V331 PolarHBondContact O-N 3.26Å |
| 332 | G | 51.6 | Low | 70.5 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -100.3 | 19.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S330 F334 | S330-G332 PolarHBondContact O-N 3.09Å; S330-G332 VanDerWaalsContact O-N 3.15Å; G332-F334 PolarHBondContact O-N 3.21Å; G332-F334 VanDerWaalsContact O-N 3.12Å |
| 333 | T | 56.9 | Low | 71.3 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 14% | 0.135 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.4 | -172.6 | 50.5 | 0 | 0 | 0 | 0 | 115.9 | S330 F335 A336 D337 | S330-T333 VanDerWaalsContact O-CB 3.29Å; S330-T333 WeakPolarHBondContact O-CB 3.06Å; S330-T333 WeakPolarHBondContact O-CG2 3.31Å; S330-T333 PolarHBondContact O-N 3.45Å; S330-T333 PolarHBondContact O-OG1 3.42Å; T333-F335 PolarHBondContact O-N 2.93Å; T333-A336 WeakPolarHBondContact O-CA 3.43Å; T333-A336 VanDerWaalsContact O-CB 3.26Å; T333-A336 WeakPolarHBondContact O-CB 3.4Å; T333-A336 PolarHBondContact O-N 3.18Å; T333-D337 PolarHBondContact O-N 2.94Å |
| 334 | F | 73.5 | Confident | 72 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -29.2 | 179.2 | 64.3 | -99.4 | 0 | 0 | 0 | 112.2 | G332 A338 P448 F451 A452 L455 W500 | G332-F334 PolarHBondContact O-N 3.21Å; G332-F334 VanDerWaalsContact O-N 3.12Å; F334-A338 WeakPolarHBondContact O-CB 3.27Å; F334-A338 PolarHBondContact O-N 3.48Å; F334-P448 HydrophobicContact CB-CB 4.32Å; F334-P448 WeakPolarHBondContact CB-O 3.23Å; F334-F451 HydrophobicContact CB-CB 4.04Å; F334-F451 HydrophobicContact CD2-CB 4.2Å; F334-F451 HydrophobicContact CG-CB 4.07Å; F334-A452 HydrophobicContact CB-CB 4.17Å; F334-A452 WeakPolarHBondContact O-CB 3.15Å; F334-L455 HydrophobicContact CD2-CD2 3.62Å; F334-L455 HydrophobicContact CE2-CD2 3.93Å; F334-W500 HydrophobicContact CE2-CD2 4.45Å; F334-W500 HydrophobicContact CE2-CE3 4.16Å; F334-W500 HydrophobicContact CZ-CB 4.25Å; F334-W500 AromaticContact CZ-CD2 3.68Å; F334-W500 HydrophobicContact CZ-CD2 3.68Å; F334-W500 AromaticContact CZ-CE3 3.84Å; F334-W500 HydrophobicContact CZ-CE3 3.84Å; F334-W500 AromaticContact CZ-CG 3.89Å; F334-W500 HydrophobicContact CZ-CG 3.89Å; F334-W500 HydrophobicContact CZ-CZ3 4.44Å |
| 335 | F | 75 | Confident | 73.1 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 167.7 | -83.5 | -65.5 | 0 | 0 | 0 | 112.2 | T333 A338 V339 L455 L491 L492 W500 L504 | T333-F335 PolarHBondContact O-N 2.93Å; F335-A338 PolarHBondContact O-N 2.92Å; F335-V339 WeakPolarHBondContact O-CB 3.48Å; F335-V339 VanDerWaalsContact O-CG2 3.24Å; F335-V339 WeakPolarHBondContact O-CG2 3.47Å; F335-V339 PolarHBondContact O-N 3.07Å; F335-L455 HydrophobicContact CD1-CD2 3.48Å; F335-L455 VanDerWaalsContact CD1-CD2 3.48Å; F335-L455 HydrophobicContact CE1-CD1 4.48Å; F335-L455 HydrophobicContact CE1-CD2 3.75Å; F335-L455 HydrophobicContact CG-CD2 4.12Å; F335-L491 HydrophobicContact CD1-CD1 4.41Å; F335-L491 HydrophobicContact CD1-CD2 3.91Å; F335-L491 HydrophobicContact CD1-CG 4.26Å; F335-L491 HydrophobicContact CE1-CD1 3.83Å; F335-L491 HydrophobicContact CE1-CD2 3.93Å; F335-L491 HydrophobicContact CE1-CG 4.16Å; F335-L491 HydrophobicContact CZ-CD1 4.07Å; F335-L492 HydrophobicContact CB-CD2 4.17Å; F335-W500 HydrophobicContact CE2-CB 3.68Å; F335-W500 HydrophobicContact CZ-CB 4.43Å; F335-W500 HydrophobicContact CZ-CE3 4.49Å; F335-L504 HydrophobicContact CE1-CD1 4.13Å; F335-L504 HydrophobicContact CZ-CB 4.22Å |
| 336 | A | 72.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G311 Q312 Y315 T333 G340 | G311-A336 CarbonylContact C-O 3.47Å; G311-A336 WeakPolarHBondContact CA-O 2.91Å; Q312-A336 HydrophobicContact CB-CB 4.46Å; Q312-A336 HydrophobicContact CG-CB 4.21Å; Q312-A336 PolarHBondContact N-O 3.44Å; Y315-A336 VanDerWaalsContact CB-CB 3.4Å; Y315-A336 HydrophobicContact CD1-CB 4.11Å; Y315-A336 HydrophobicContact CG-CB 3.78Å; T333-A336 WeakPolarHBondContact O-CA 3.43Å; T333-A336 VanDerWaalsContact O-CB 3.26Å; T333-A336 WeakPolarHBondContact O-CB 3.4Å; T333-A336 PolarHBondContact O-N 3.18Å; A336-G340 PolarHBondContact O-N 3.45Å |
| 337 | D | 78 | Confident | 75.6 | Confident | 10 Ų | 10 | 16.5 Ų | 16.5 | 5% | 0.053 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 172.5 | -72.9 | -40.6 | 0 | 0 | 0 | 112 | R308 Q312 T333 V339 G340 G341 A452 | R308-D337 WeakPolarHBondContact CD-OD1 3.29Å; R308-D337 HydrophobicContact CG-CB 4.19Å; R308-D337 WeakPolarHBondContact CG-OD1 3.41Å; Q312-D337 WeakPolarHBondContact CG-OD1 3.33Å; Q312-D337 PolarHBondContact NE2-OD1 3.23Å; T333-D337 PolarHBondContact O-N 2.94Å; D337-V339 PolarHBondContact O-N 3.31Å; D337-G340 PolarHBondContact O-N 3.06Å; D337-G341 PolarHBondContact O-N 3.34Å; D337-A452 HydrophobicContact CB-CB 3.46Å; D337-A452 VanDerWaalsContact CB-CB 3.46Å |
| 338 | A | 87 | Confident | 76.5 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F334 F335 G340 G341 V342 L455 R456 L459 | F334-A338 WeakPolarHBondContact O-CB 3.27Å; F334-A338 PolarHBondContact O-N 3.48Å; F335-A338 PolarHBondContact O-N 2.92Å; A338-G340 VanDerWaalsContact C-N 3.28Å; A338-G340 PolarHBondContact O-N 2.79Å; A338-G341 PolarHBondContact O-N 3.42Å; A338-G341 VanDerWaalsContact O-N 3.16Å; A338-V342 WeakPolarHBondContact O-CG2 3.14Å; A338-V342 PolarHBondContact O-N 3.03Å; A338-L455 HydrophobicContact CB-CB 3.79Å; A338-L455 HydrophobicContact CB-CD2 3.82Å; A338-L455 HydrophobicContact CB-CG 3.71Å; A338-R456 HydrophobicContact CB-CB 4.22Å; A338-R456 WeakPolarHBondContact O-CB 2.96Å; A338-L459 HydrophobicContact CB-CD1 3.98Å |
| 339 | V | 85.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -39.3 | 176.9 | 164.5 | 0 | 0 | 0 | 0 | 111.2 | F249 F335 D337 V342 V343 L459 L488 L492 | F249-V339 HydrophobicContact CE1-CG1 3.97Å; F335-V339 WeakPolarHBondContact O-CB 3.48Å; F335-V339 VanDerWaalsContact O-CG2 3.24Å; F335-V339 WeakPolarHBondContact O-CG2 3.47Å; F335-V339 PolarHBondContact O-N 3.07Å; D337-V339 PolarHBondContact O-N 3.31Å; V339-V342 PolarHBondContact O-N 3.35Å; V339-V343 PolarHBondContact O-N 3.03Å; V339-L459 HydrophobicContact CG2-CD1 4.24Å; V339-L488 HydrophobicContact CG1-CD1 4.49Å; V339-L488 HydrophobicContact CG2-CD2 4.1Å; V339-L492 HydrophobicContact CG2-CD1 4.31Å; V339-L492 HydrophobicContact CG2-CD2 4.07Å |
| 340 | G | 87.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.6 | -53.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F307 A336 D337 A338 V342 V343 E344 | F307-G340 WeakPolarHBondContact O-CA 3.05Å; A336-G340 PolarHBondContact O-N 3.45Å; D337-G340 PolarHBondContact O-N 3.06Å; A338-G340 VanDerWaalsContact C-N 3.28Å; A338-G340 PolarHBondContact O-N 2.79Å; G340-V342 VanDerWaalsContact C-N 3.29Å; G340-V342 PolarHBondContact O-N 3.47Å; G340-V343 PolarHBondContact O-N 3.22Å; G340-E344 PolarHBondContact O-N 3.34Å; G340-E344 VanDerWaalsContact O-N 3.17Å |
| 341 | G | 88 | Confident | 79.9 | Confident | 5 Ų | 5 | 10.7 Ų | 10.7 | 5% | 0.052 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.6 | -31 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D337 A338 E344 L345 | D337-G341 PolarHBondContact O-N 3.34Å; A338-G341 PolarHBondContact O-N 3.42Å; A338-G341 VanDerWaalsContact O-N 3.16Å; G341-E344 WeakPolarHBondContact O-CB 3.17Å; G341-E344 PolarHBondContact O-N 3.14Å; G341-L345 WeakPolarHBondContact O-CG 3.44Å; G341-L345 PolarHBondContact O-N 3.23Å |
| 342 | V | 89.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 176.4 | 175 | 0 | 0 | 0 | 0 | 111.6 | A338 V339 G340 E344 S346 R456 L459 F460 L463 I478 | A338-V342 WeakPolarHBondContact O-CG2 3.14Å; A338-V342 PolarHBondContact O-N 3.03Å; V339-V342 PolarHBondContact O-N 3.35Å; G340-V342 VanDerWaalsContact C-N 3.29Å; G340-V342 PolarHBondContact O-N 3.47Å; V342-E344 VanDerWaalsContact C-N 3.31Å; V342-S346 PolarHBondContact O-N 3.21Å; V342-R456 HydrophobicContact CG2-CB 4.37Å; V342-R456 VanDerWaalsContact CG2-O 3.23Å; V342-R456 WeakPolarHBondContact CG2-O 3.37Å; V342-L459 HydrophobicContact CG2-CB 3.48Å; V342-L459 VanDerWaalsContact CG2-CB 3.48Å; V342-L459 HydrophobicContact CG2-CD1 4.2Å; V342-L459 HydrophobicContact CG2-CG 4.48Å; V342-F460 HydrophobicContact CG1-CB 4.13Å; V342-F460 HydrophobicContact CG1-CD2 4.1Å; V342-F460 HydrophobicContact CG2-CB 4.44Å; V342-L463 HydrophobicContact CG1-CD1 3.56Å; V342-I478 HydrophobicContact CG1-CD1 4.2Å |
| 343 | V | 90.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -69.3 | -35.3 | 179.8 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | C248 F249 I252 F307 V339 G340 S346 A347 | C248-V343 HydrophobicContact CB-CG1 4.06Å; F249-V343 HydrophobicContact CD1-CG2 4.08Å; F249-V343 HydrophobicContact CE1-CB 4.5Å; F249-V343 HydrophobicContact CE1-CG2 3.71Å; F249-V343 HydrophobicContact CE2-CB 4.38Å; F249-V343 HydrophobicContact CE2-CG1 4.49Å; F249-V343 HydrophobicContact CE2-CG2 4.42Å; F249-V343 HydrophobicContact CZ-CB 4.22Å; F249-V343 HydrophobicContact CZ-CG2 3.9Å; I252-V343 HydrophobicContact CD1-CG2 3.97Å; F307-V343 HydrophobicContact CD1-CB 4.03Å; F307-V343 HydrophobicContact CD1-CG1 4.01Å; F307-V343 HydrophobicContact CE1-CB 4.17Å; F307-V343 HydrophobicContact CE1-CG1 3.66Å; V339-V343 PolarHBondContact O-N 3.03Å; G340-V343 PolarHBondContact O-N 3.22Å; V343-S346 WeakPolarHBondContact O-CB 3.4Å; V343-S346 PolarHBondContact O-N 3.05Å; V343-A347 WeakPolarHBondContact O-CB 3.36Å; V343-A347 PolarHBondContact O-N 3.32Å |
| 344 | E | 89.5 | Confident | 83.9 | Confident | 22 Ų | 22 | 12.5 Ų | 12.5 | 10% | 0.103 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.1 | -52.1 | 174.3 | -175 | -176.4 | -178.5 | 0 | 0 | 112.5 | S304 F307 G340 G341 V342 S346 A347 M348 | S304-E344 WeakPolarHBondContact CA-OE1 3.43Å; S304-E344 WeakPolarHBondContact CB-OE1 3.26Å; S304-E344 PolarHBondContact OG-OE1 3Å; F307-E344 HydrophobicContact CB-CB 3.96Å; F307-E344 HydrophobicContact CD1-CB 4.33Å; F307-E344 HydrophobicContact CD2-CB 3.83Å; F307-E344 HydrophobicContact CD2-CG 3.89Å; F307-E344 HydrophobicContact CE2-CB 4.45Å; F307-E344 HydrophobicContact CE2-CG 4.42Å; F307-E344 HydrophobicContact CG-CB 3.78Å; F307-E344 HydrophobicContact CG-CG 4.33Å; G340-E344 PolarHBondContact O-N 3.34Å; G340-E344 VanDerWaalsContact O-N 3.17Å; G341-E344 WeakPolarHBondContact O-CB 3.17Å; G341-E344 PolarHBondContact O-N 3.14Å; V342-E344 VanDerWaalsContact C-N 3.31Å; E344-S346 PolarHBondContact O-N 3.5Å; E344-A347 PolarHBondContact O-N 3.45Å; E344-M348 HydrophobicContact CG-CG 4.1Å; E344-M348 WeakPolarHBondContact O-CB 3.43Å; E344-M348 PolarHBondContact O-N 2.96Å |
| 345 | L | 90.2 | Very high | 83.8 | Confident | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58 | -33.2 | 179.4 | -71 | 175.3 | 0 | 0 | 0 | 112.3 | G341 N349 V376 R456 F457 F460 F521 | G341-L345 WeakPolarHBondContact O-CG 3.44Å; G341-L345 PolarHBondContact O-N 3.23Å; L345-N349 PolarHBondContact O-ND2 3.04Å; L345-V376 HydrophobicContact CD2-CG1 4.21Å; L345-R456 HydrophobicContact CD1-CG 4.33Å; L345-F457 HydrophobicContact CD1-CD1 3.66Å; L345-F457 HydrophobicContact CD1-CE1 3.8Å; L345-F457 HydrophobicContact CD1-CG 4.26Å; L345-F457 HydrophobicContact CD2-CE1 4.11Å; L345-F460 HydrophobicContact CB-CD1 4.16Å; L345-F460 HydrophobicContact CB-CD2 4.15Å; L345-F460 HydrophobicContact CB-CE1 4.1Å; L345-F460 HydrophobicContact CB-CE2 4.12Å; L345-F460 HydrophobicContact CB-CG 4.17Å; L345-F460 HydrophobicContact CB-CZ 4.08Å; L345-F460 HydrophobicContact CD1-CB 4.19Å; L345-F460 HydrophobicContact CD1-CD1 4.04Å; L345-F460 HydrophobicContact CD1-CG 4.13Å; L345-F521 HydrophobicContact CD2-CE2 4.21Å; L345-F521 HydrophobicContact CD2-CZ 3.89Å |
| 346 | S | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.9 | -37 | 173.6 | -176.8 | 0 | 0 | 0 | 0 | 113.7 | V342 V343 E344 N349 S352 S477 I478 | V342-S346 PolarHBondContact O-N 3.21Å; V343-S346 WeakPolarHBondContact O-CB 3.4Å; V343-S346 PolarHBondContact O-N 3.05Å; E344-S346 PolarHBondContact O-N 3.5Å; S346-N349 PolarHBondContact O-ND2 3.19Å; S346-S352 VanDerWaalsContact O-CB 3.31Å; S346-S352 WeakPolarHBondContact O-CB 3.11Å; S346-S352 PolarHBondContact O-OG 2.54Å; S346-S477 WeakPolarHBondContact OG-CA 3.38Å; S346-I478 VanDerWaalsContact OG-CG1 3.27Å; S346-I478 WeakPolarHBondContact OG-CG1 3.38Å; S346-I478 PolarHBondContact OG-N 2.8Å |
| 347 | A | 85.3 | Confident | 83.6 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -83 | -33 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112 | F307 V343 E344 S352 | F307-A347 HydrophobicContact CE1-CB 4.4Å; F307-A347 HydrophobicContact CE2-CB 4.5Å; F307-A347 HydrophobicContact CZ-CB 3.8Å; V343-A347 WeakPolarHBondContact O-CB 3.36Å; V343-A347 PolarHBondContact O-N 3.32Å; E344-A347 PolarHBondContact O-N 3.45Å; A347-S352 WeakPolarHBondContact O-CB 3.46Å |
| 348 | M | 85.8 | Confident | 83.2 | Confident | 41 Ų | 41 | 29.2 Ų | 29.2 | 20% | 0.202 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -98.9 | 3.1 | -171.2 | -64.6 | -64.6 | 130 | 0 | 0 | 114.6 | I227 V303 F307 E344 L353 Y372 | I227-M348 HydrophobicContact CD1-CE 4.36Å; I227-M348 HydrophobicContact CD1-SD 3.94Å; V303-M348 HydrophobicContact CG1-CE 3.89Å; V303-M348 HydrophobicContact CG1-SD 4.1Å; F307-M348 HydrophobicContact CE2-CE 4.07Å; F307-M348 HydrophobicContact CZ-CE 4.5Å; E344-M348 HydrophobicContact CG-CG 4.1Å; E344-M348 WeakPolarHBondContact O-CB 3.43Å; E344-M348 PolarHBondContact O-N 2.96Å; M348-L353 VanDerWaalsContact O-CD1 3.3Å; M348-L353 WeakPolarHBondContact O-CD1 3.31Å; M348-L353 HydrophobicContact SD-CD2 4.17Å; M348-Y372 VanDerWaalsContact O-CE2 3.26Å; M348-Y372 WeakPolarHBondContact O-CE2 3.46Å |
| 349 | N | 86.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -73.6 | 158.4 | 176.1 | 67.9 | 57.9 | 0 | 0 | 0 | 112.8 | L345 S346 S351 S352 L353 Y372 H474 C476 | L345-N349 PolarHBondContact O-ND2 3.04Å; S346-N349 PolarHBondContact O-ND2 3.19Å; N349-S351 VanDerWaalsContact C-N 3.28Å; N349-S351 PolarHBondContact O-N 3.48Å; N349-S351 WeakPolarHBondContact OD1-CB 3.16Å; N349-S351 PolarHBondContact OD1-N 3.3Å; N349-S352 PolarHBondContact O-N 3.49Å; N349-S352 VanDerWaalsContact O-N 3.16Å; N349-S352 WeakPolarHBondContact OD1-CB 3.49Å; N349-S352 PolarHBondContact OD1-N 3.12Å; N349-S352 PolarHBondContact OD1-OG 3.29Å; N349-L353 WeakPolarHBondContact O-CG 3.32Å; N349-L353 PolarHBondContact O-N 3.1Å; N349-Y372 HydrophobicContact CB-CE1 4.38Å; N349-H474 WeakPolarHBondContact CB-O 3.15Å; N349-C476 PolarHBondContact ND2-O 2.99Å |
| 350 | P | 83.2 | Confident | 81.7 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.2 | -39.4 | -177.7 | -29.1 | 36.6 | 0 | 0 | 0 | 114.2 | R354 I359 P363 I368 Y372 L475 | P350-R354 WeakPolarHBondContact O-CB 3.46Å; P350-R354 PolarHBondContact O-N 2.81Å; P350-I359 HydrophobicContact CB-CD1 4.06Å; P350-I359 WeakPolarHBondContact O-CD1 3.32Å; P350-P363 HydrophobicContact CB-CB 4.08Å; P350-P363 HydrophobicContact CB-CG 4.39Å; P350-I368 HydrophobicContact CB-CG2 4.38Å; P350-I368 HydrophobicContact CG-CG2 4.37Å; P350-Y372 HydrophobicContact CG-CD1 4.22Å; P350-Y372 HydrophobicContact CG-CD2 4.29Å; P350-Y372 HydrophobicContact CG-CG 3.89Å; P350-L475 HydrophobicContact CB-CD2 4.49Å; P350-L475 HydrophobicContact CG-CD2 4.48Å |
| 351 | S | 82.2 | Confident | 80.8 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 178.5 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | N349 S355 | N349-S351 VanDerWaalsContact C-N 3.28Å; N349-S351 PolarHBondContact O-N 3.48Å; N349-S351 WeakPolarHBondContact OD1-CB 3.16Å; N349-S351 PolarHBondContact OD1-N 3.3Å; S351-S355 PolarHBondContact O-N 2.74Å; S351-S355 VanDerWaalsContact O-N 3.12Å |
| 352 | S | 83.4 | Confident | 80.1 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -43.8 | 178.7 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | S346 A347 N349 R354 S355 L356 S477 | S346-S352 VanDerWaalsContact O-CB 3.31Å; S346-S352 WeakPolarHBondContact O-CB 3.11Å; S346-S352 PolarHBondContact O-OG 2.54Å; A347-S352 WeakPolarHBondContact O-CB 3.46Å; N349-S352 PolarHBondContact O-N 3.49Å; N349-S352 VanDerWaalsContact O-N 3.16Å; N349-S352 WeakPolarHBondContact OD1-CB 3.49Å; N349-S352 PolarHBondContact OD1-N 3.12Å; N349-S352 PolarHBondContact OD1-OG 3.29Å; S352-R354 VanDerWaalsContact C-N 3.29Å; S352-R354 PolarHBondContact O-N 2.66Å; S352-S355 PolarHBondContact O-N 2.98Å; S352-S355 VanDerWaalsContact O-N 3.13Å; S352-S355 PolarHBondContact O-OG 2.78Å; S352-L356 WeakPolarHBondContact O-CG 3.33Å; S352-L356 PolarHBondContact O-N 2.99Å; S352-S477 WeakPolarHBondContact OG-CB 3.35Å; S352-S477 PolarHBondContact OG-OG 3.24Å |
| 353 | L | 82 | Confident | 79.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 176.9 | -69.4 | -179.9 | 0 | 0 | 0 | 112.2 | I227 M348 N349 L356 H357 L358 I359 | I227-L353 HydrophobicContact CG2-CD1 4.22Å; I227-L353 HydrophobicContact CG2-CD2 3.97Å; M348-L353 VanDerWaalsContact O-CD1 3.3Å; M348-L353 WeakPolarHBondContact O-CD1 3.31Å; M348-L353 HydrophobicContact SD-CD2 4.17Å; N349-L353 WeakPolarHBondContact O-CG 3.32Å; N349-L353 PolarHBondContact O-N 3.1Å; L353-L356 PolarHBondContact O-N 3.24Å; L353-H357 PolarHBondContact O-N 3.48Å; L353-L358 HydrophobicContact CB-CB 4.4Å; L353-L358 HydrophobicContact CD2-CB 4.28Å; L353-L358 HydrophobicContact CD2-CD1 3.75Å; L353-L358 WeakPolarHBondContact O-CB 3.35Å; L353-L358 PolarHBondContact O-N 3.33Å; L353-I359 HydrophobicContact CB-CD1 4.08Å; L353-I359 HydrophobicContact CB-CG1 3.94Å; L353-I359 HydrophobicContact CB-CG2 4.33Å; L353-I359 HydrophobicContact CD1-CG2 4.45Å |
| 354 | R | 77.2 | Confident | 78.1 | Confident | 108 Ų | 108 | 49.4 Ų | 49.4 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 173.5 | -175.5 | 175.7 | -179.2 | -167.5 | 12.6 | 112 | P350 S352 L356 H357 I359 D362 P363 | P350-R354 WeakPolarHBondContact O-CB 3.46Å; P350-R354 PolarHBondContact O-N 2.81Å; S352-R354 VanDerWaalsContact C-N 3.29Å; S352-R354 PolarHBondContact O-N 2.66Å; R354-L356 PolarHBondContact O-N 3.18Å; R354-H357 WeakPolarHBondContact O-CA 3.37Å; R354-H357 PolarHBondContact O-N 3.41Å; R354-I359 HydrophobicContact CB-CG1 4.04Å; R354-D362 IonicContact CZ-OD1 3.49Å; R354-D362 IonicContact NH1-OD1 2.69Å; R354-D362 PolarHBondContact NH1-OD1 3.3Å; R354-D362 IonicContact NH2-OD1 3.49Å; R354-P363 HydrophobicContact CB-CG 4.46Å |
| 355 | S | 72.5 | Confident | 77.6 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 58% | 0.58 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.3 | -32 | 176.3 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | S351 S352 H357 | S351-S355 PolarHBondContact O-N 2.74Å; S351-S355 VanDerWaalsContact O-N 3.12Å; S352-S355 PolarHBondContact O-N 2.98Å; S352-S355 VanDerWaalsContact O-N 3.13Å; S352-S355 PolarHBondContact O-OG 2.78Å; S355-H357 VanDerWaalsContact C-N 3.27Å; S355-H357 PolarHBondContact O-N 3.35Å; S355-H357 PolarHBondContact O-ND1 2.9Å |
| 356 | L | 73.5 | Confident | 77.1 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 4 | 174.5 | -64.3 | 172.8 | 0 | 0 | 0 | 113.5 | S352 L353 R354 L358 | S352-L356 WeakPolarHBondContact O-CG 3.33Å; S352-L356 PolarHBondContact O-N 2.99Å; L353-L356 PolarHBondContact O-N 3.24Å; R354-L356 PolarHBondContact O-N 3.18Å; L356-L358 HydrophobicContact CB-CD1 4.07Å; L356-L358 HydrophobicContact CB-CG 4.04Å; L356-L358 HydrophobicContact CD1-CD1 4.28Å; L356-L358 PolarHBondContact O-N 3.36Å |
| 357 | H | 69.2 | Low | 76.9 | Confident | 145 Ų | 145 | 63.8 Ų | 63.8 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 27.4 | -175.4 | -57.9 | 67.9 | 0 | 0 | 0 | 113.7 | K230 L353 R354 S355 | K230-H357 PolarHBondContact NZ-O 3.46Å; L353-H357 PolarHBondContact O-N 3.48Å; R354-H357 WeakPolarHBondContact O-CA 3.37Å; R354-H357 PolarHBondContact O-N 3.41Å; S355-H357 VanDerWaalsContact C-N 3.27Å; S355-H357 PolarHBondContact O-N 3.35Å; S355-H357 PolarHBondContact O-ND1 2.9Å |
| 358 | L | 70.5 | Confident | 76.9 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -85.5 | -29.3 | 178.8 | -66.7 | 174.7 | 0 | 0 | 0 | 112.8 | I227 K230 L353 L356 | I227-L358 HydrophobicContact CG2-CB 4.12Å; I227-L358 HydrophobicContact CG2-CD1 4.31Å; K230-L358 HydrophobicContact CD-CB 4.43Å; K230-L358 HydrophobicContact CD-CD2 3.7Å; K230-L358 WeakPolarHBondContact CD-O 3.11Å; K230-L358 HydrophobicContact CG-CD2 4.11Å; K230-L358 PolarHBondContact NZ-O 2.91Å; L353-L358 HydrophobicContact CB-CB 4.4Å; L353-L358 HydrophobicContact CD2-CB 4.28Å; L353-L358 HydrophobicContact CD2-CD1 3.75Å; L353-L358 WeakPolarHBondContact O-CB 3.35Å; L353-L358 PolarHBondContact O-N 3.33Å; L356-L358 HydrophobicContact CB-CD1 4.07Å; L356-L358 HydrophobicContact CB-CG 4.04Å; L356-L358 HydrophobicContact CD1-CD1 4.28Å; L356-L358 PolarHBondContact O-N 3.36Å |
| 359 | I | 71.5 | Confident | 76.9 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | trans | -123.5 | 149.4 | 169.9 | 64.9 | 174 | 0 | 0 | 0 | 110.4 | P350 L353 R354 | P350-I359 HydrophobicContact CB-CD1 4.06Å; P350-I359 WeakPolarHBondContact O-CD1 3.32Å; L353-I359 HydrophobicContact CB-CD1 4.08Å; L353-I359 HydrophobicContact CB-CG1 3.94Å; L353-I359 HydrophobicContact CB-CG2 4.33Å; L353-I359 HydrophobicContact CD1-CG2 4.45Å; R354-I359 HydrophobicContact CB-CG1 4.04Å | ||
| 360 | N | 68.5 | Low | 77 | Confident | 139 Ų | 139 | 63 Ų | 63 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | trans | -98.6 | -25.1 | -177.2 | -69.1 | -18.3 | 0 | 0 | 0 | 113.7 | ||||
| 361 | D | 69.4 | Low | 77.3 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -80.2 | 158.7 | -169.9 | -57.8 | -71.6 | 0 | 0 | 0 | 114 | P223 P363 I368 | P223-D361 HydrophobicContact CG-CB 4.08Å; P223-D361 WeakPolarHBondContact CG-OD2 3.4Å; D361-P363 WeakPolarHBondContact O-CD 3.26Å; D361-I368 HydrophobicContact CB-CD1 3.63Å |
| 362 | D | 72.5 | Confident | 77.7 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | trans | -78.2 | 118.7 | -173.2 | -168.5 | 25 | 0 | 0 | 0 | 112.2 | R354 S364 D365 I368 | R354-D362 IonicContact CZ-OD1 3.49Å; R354-D362 IonicContact NH1-OD1 2.69Å; R354-D362 PolarHBondContact NH1-OD1 3.3Å; R354-D362 IonicContact NH2-OD1 3.49Å; D362-S364 VanDerWaalsContact CG-OG 3.27Å; D362-S364 PolarHBondContact O-N 3.39Å; D362-S364 WeakPolarHBondContact OD2-CB 3.33Å; D362-S364 PolarHBondContact OD2-OG 3.43Å; D362-D365 PolarHBondContact O-N 2.82Å; D362-I368 WeakPolarHBondContact O-CD1 3.2Å | ||
| 363 | P | 69 | Low | 78.1 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -8.4 | -179 | -23 | 34.7 | 0 | 0 | 0 | 114.9 | P350 R354 D361 D365 | P350-P363 HydrophobicContact CB-CB 4.08Å; P350-P363 HydrophobicContact CB-CG 4.39Å; R354-P363 HydrophobicContact CB-CG 4.46Å; D361-P363 WeakPolarHBondContact O-CD 3.26Å; P363-D365 VanDerWaalsContact C-N 3.27Å |
| 364 | S | 69.4 | Low | 78.6 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -18.2 | 177.6 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | D362 E366 | D362-S364 VanDerWaalsContact CG-OG 3.27Å; D362-S364 PolarHBondContact O-N 3.39Å; D362-S364 WeakPolarHBondContact OD2-CB 3.33Å; D362-S364 PolarHBondContact OD2-OG 3.43Å; S364-E366 PolarHBondContact O-N 3.24Å |
| 365 | D | 79 | Confident | 79.2 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | trans | -72.2 | 114.1 | 176.6 | -170 | -22.1 | 0 | 0 | 0 | 110.7 | D362 P363 R367 I368 G369 | D362-D365 PolarHBondContact O-N 2.82Å; P363-D365 VanDerWaalsContact C-N 3.27Å; D365-R367 PolarHBondContact O-N 3.22Å; D365-R367 VanDerWaalsContact OD1-CB 3.22Å; D365-R367 WeakPolarHBondContact OD1-CB 3.36Å; D365-R367 WeakPolarHBondContact OD1-CG 3.32Å; D365-R367 IonicContact OD1-CZ 2.59Å; D365-R367 PolarHBondContact OD1-N 3.44Å; D365-R367 IonicContact OD1-NE 3.3Å; D365-R367 PolarHBondContact OD1-NE 3.23Å; D365-R367 IonicContact OD1-NH2 3.86Å; D365-R367 IonicContact OD2-CZ 3.08Å; D365-R367 VanDerWaalsContact OD2-CZ 3.27Å; D365-R367 IonicContact OD2-NE 2.6Å; D365-R367 PolarHBondContact OD2-NE 3.21Å; D365-R367 VanDerWaalsContact OD2-NE 3.07Å; D365-R367 IonicContact OD2-NH2 3.64Å; D365-R367 PolarHBondContact OD2-NH2 3.49Å; D365-I368 HydrophobicContact CB-CB 4.46Å; D365-I368 HydrophobicContact CB-CD1 3.93Å; D365-I368 HydrophobicContact CB-CG1 4.04Å; D365-I368 WeakPolarHBondContact O-CB 3.49Å; D365-I368 PolarHBondContact O-N 2.94Å; D365-G369 PolarHBondContact O-N 3.2Å | ||
| 366 | E | 80.3 | Confident | 80 | Confident | 169 Ų | 169 | 52.8 Ų | 52.8 | 79% | 0.79 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -54.6 | -29.6 | 178.1 | -67.9 | -170.8 | 167.3 | 0 | 0 | 112.4 | S364 G369 I370 | S364-E366 PolarHBondContact O-N 3.24Å; E366-G369 CarbonylContact O-C 3.48Å; E366-G369 WeakPolarHBondContact O-CA 3.32Å; E366-G369 PolarHBondContact O-N 3.13Å; E366-I370 WeakPolarHBondContact O-CG1 3.48Å; E366-I370 PolarHBondContact O-N 3.17Å |
| 367 | R | 84.5 | Confident | 80.9 | Confident | 118 Ų | 118 | 47.9 Ų | 47.9 | 45% | 0.445 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 178.4 | -58.8 | 174.1 | -67.3 | 175.5 | 2.1 | 112.1 | Y219 T222 D365 G369 I370 N371 | Y219-R367 HydrophobicContact CD1-CG 4.29Å; Y219-R367 HydrophobicContact CD2-CB 3.67Å; Y219-R367 HydrophobicContact CD2-CG 3.93Å; Y219-R367 HydrophobicContact CE1-CG 4.25Å; Y219-R367 HydrophobicContact CE2-CB 4Å; Y219-R367 HydrophobicContact CE2-CG 3.88Å; Y219-R367 HydrophobicContact CG-CB 4.05Å; Y219-R367 HydrophobicContact CG-CG 4.14Å; T222-R367 HydrophobicContact CG2-CB 3.87Å; D365-R367 PolarHBondContact O-N 3.22Å; D365-R367 VanDerWaalsContact OD1-CB 3.22Å; D365-R367 WeakPolarHBondContact OD1-CB 3.36Å; D365-R367 WeakPolarHBondContact OD1-CG 3.32Å; D365-R367 IonicContact OD1-CZ 2.59Å; D365-R367 PolarHBondContact OD1-N 3.44Å; D365-R367 IonicContact OD1-NE 3.3Å; D365-R367 PolarHBondContact OD1-NE 3.23Å; D365-R367 IonicContact OD1-NH2 3.86Å; D365-R367 IonicContact OD2-CZ 3.08Å; D365-R367 VanDerWaalsContact OD2-CZ 3.27Å; D365-R367 IonicContact OD2-NE 2.6Å; D365-R367 PolarHBondContact OD2-NE 3.21Å; D365-R367 VanDerWaalsContact OD2-NE 3.07Å; D365-R367 IonicContact OD2-NH2 3.64Å; D365-R367 PolarHBondContact OD2-NH2 3.49Å; R367-G369 VanDerWaalsContact C-N 3.31Å; R367-I370 PolarHBondContact O-N 3.11Å; R367-N371 PolarHBondContact O-N 2.97Å |
| 368 | I | 84.2 | Confident | 82 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 173.8 | -63.6 | 174.3 | 0 | 0 | 0 | 109.1 | T222 P350 D361 D362 D365 N371 Y372 | T222-I368 HydrophobicContact CG2-CB 4.26Å; T222-I368 HydrophobicContact CG2-CG1 3.41Å; T222-I368 VanDerWaalsContact CG2-CG1 3.41Å; P350-I368 HydrophobicContact CB-CG2 4.38Å; P350-I368 HydrophobicContact CG-CG2 4.37Å; D361-I368 HydrophobicContact CB-CD1 3.63Å; D362-I368 WeakPolarHBondContact O-CD1 3.2Å; D365-I368 HydrophobicContact CB-CB 4.46Å; D365-I368 HydrophobicContact CB-CD1 3.93Å; D365-I368 HydrophobicContact CB-CG1 4.04Å; D365-I368 WeakPolarHBondContact O-CB 3.49Å; D365-I368 PolarHBondContact O-N 2.94Å; I368-N371 PolarHBondContact O-N 2.86Å; I368-Y372 WeakPolarHBondContact O-CB 3.35Å; I368-Y372 PolarHBondContact O-N 3.28Å |
| 369 | G | 85.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D365 E366 R367 Y372 L373 | D365-G369 PolarHBondContact O-N 3.2Å; E366-G369 CarbonylContact O-C 3.48Å; E366-G369 WeakPolarHBondContact O-CA 3.32Å; E366-G369 PolarHBondContact O-N 3.13Å; R367-G369 VanDerWaalsContact C-N 3.31Å; G369-Y372 PolarHBondContact O-N 3.21Å; G369-L373 WeakPolarHBondContact O-CB 3.16Å; G369-L373 WeakPolarHBondContact O-CG 3.49Å; G369-L373 PolarHBondContact O-N 3.25Å |
| 370 | I | 90.4 | Very high | 83.7 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 178.6 | -66.2 | -64.4 | 0 | 0 | 0 | 111.9 | P218 Y219 E366 R367 L373 M374 P524 L525 W528 | P218-I370 HydrophobicContact CB-CG2 3.84Å; P218-I370 HydrophobicContact CG-CG2 3.87Å; Y219-I370 HydrophobicContact CD2-CB 4.45Å; Y219-I370 HydrophobicContact CD2-CG2 4.35Å; Y219-I370 HydrophobicContact CE2-CB 4.03Å; Y219-I370 HydrophobicContact CE2-CG1 4.43Å; Y219-I370 HydrophobicContact CE2-CG2 3.94Å; E366-I370 WeakPolarHBondContact O-CG1 3.48Å; E366-I370 PolarHBondContact O-N 3.17Å; R367-I370 PolarHBondContact O-N 3.11Å; I370-L373 PolarHBondContact O-N 3.03Å; I370-M374 WeakPolarHBondContact O-CB 3.5Å; I370-M374 PolarHBondContact O-N 2.89Å; I370-P524 HydrophobicContact CD1-CB 3.95Å; I370-L525 HydrophobicContact CG2-CD1 4.15Å; I370-W528 HydrophobicContact CD1-CB 4.31Å; I370-W528 HydrophobicContact CG2-CD2 4.41Å; I370-W528 HydrophobicContact CG2-CG 4.43Å |
| 371 | N | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 176.2 | -80.1 | 3.7 | 0 | 0 | 0 | 112.3 | M213 P218 Y219 T222 R367 I368 M374 G375 | M213-N371 WeakPolarHBondContact CE-O 3.38Å; P218-N371 WeakPolarHBondContact CD-OD1 3.37Å; Y219-N371 PolarHBondContact N-OD1 2.77Å; Y219-N371 PolarHBondContact O-ND2 3Å; T222-N371 WeakPolarHBondContact CB-ND2 3.48Å; T222-N371 PolarHBondContact O-ND2 3.07Å; R367-N371 PolarHBondContact O-N 2.97Å; I368-N371 PolarHBondContact O-N 2.86Å; N371-M374 PolarHBondContact O-N 3.12Å; N371-G375 PolarHBondContact O-N 2.97Å |
| 372 | Y | 88.6 | Confident | 86 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 173.1 | 166.8 | -107 | 0 | 0 | 0 | 111.4 | M348 N349 P350 I368 G369 M374 G375 V376 H474 F521 | M348-Y372 VanDerWaalsContact O-CE2 3.26Å; M348-Y372 WeakPolarHBondContact O-CE2 3.46Å; N349-Y372 HydrophobicContact CB-CE1 4.38Å; P350-Y372 HydrophobicContact CG-CD1 4.22Å; P350-Y372 HydrophobicContact CG-CD2 4.29Å; P350-Y372 HydrophobicContact CG-CG 3.89Å; I368-Y372 WeakPolarHBondContact O-CB 3.35Å; I368-Y372 PolarHBondContact O-N 3.28Å; G369-Y372 PolarHBondContact O-N 3.21Å; Y372-M374 VanDerWaalsContact C-N 3.3Å; Y372-M374 PolarHBondContact O-N 3.44Å; Y372-G375 WeakPolarHBondContact O-CA 3.24Å; Y372-G375 PolarHBondContact O-N 2.59Å; Y372-V376 HydrophobicContact CD2-CG2 4.26Å; Y372-V376 HydrophobicContact CE1-CG2 4.15Å; Y372-V376 HydrophobicContact CE2-CG2 3.73Å; Y372-V376 PolarHBondContact O-N 2.72Å; Y372-H474 HydrophobicContact CD1-CB 4.42Å; Y372-H474 HydrophobicContact CE1-CB 4.02Å; Y372-F521 HydrophobicContact CE1-CZ 4.01Å |
| 373 | L | 92.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 177.9 | -73.5 | 172.4 | 0 | 0 | 0 | 111.5 | G369 I370 G375 V376 A377 H474 F521 F522 P524 L525 | G369-L373 WeakPolarHBondContact O-CB 3.16Å; G369-L373 WeakPolarHBondContact O-CG 3.49Å; G369-L373 PolarHBondContact O-N 3.25Å; I370-L373 PolarHBondContact O-N 3.03Å; L373-G375 VanDerWaalsContact C-N 3.32Å; L373-G375 PolarHBondContact O-N 3.38Å; L373-V376 PolarHBondContact O-N 3.28Å; L373-A377 VanDerWaalsContact O-CB 3.23Å; L373-A377 WeakPolarHBondContact O-CB 3.16Å; L373-A377 PolarHBondContact O-N 2.95Å; L373-H474 HydrophobicContact CD2-CB 3.74Å; L373-F521 HydrophobicContact CD2-CD1 3.8Å; L373-F521 HydrophobicContact CD2-CE1 3.56Å; L373-F521 HydrophobicContact CD2-CZ 4.34Å; L373-F521 WeakPolarHBondContact CD2-O 3.28Å; L373-F522 HydrophobicContact CB-CD1 4.5Å; L373-F522 HydrophobicContact CD2-CD1 4.11Å; L373-F522 HydrophobicContact CD2-CE1 4.47Å; L373-F522 WeakPolarHBondContact O-CE1 3.12Å; L373-P524 HydrophobicContact CD1-CB 3.82Å; L373-P524 HydrophobicContact CD1-CG 3.97Å; L373-L525 HydrophobicContact CB-CB 4Å; L373-L525 HydrophobicContact CB-CD2 4.24Å; L373-L525 HydrophobicContact CD1-CB 4.26Å |
| 374 | M | 93 | Very high | 88 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 173.5 | -178.4 | 64 | 79.3 | 0 | 0 | 110.9 | L176 Y179 M213 P218 I370 N371 Y372 V376 A377 L378 L525 W528 L529 | L176-M374 HydrophobicContact CD1-CE 4.29Å; L176-M374 HydrophobicContact CD1-SD 3.71Å; Y179-M374 HydrophobicContact CE1-CE 4.28Å; M213-M374 HydrophobicContact CE-CB 4.19Å; M213-M374 HydrophobicContact CE-CG 4.24Å; M213-M374 HydrophobicContact SD-CB 4.49Å; M213-M374 HydrophobicContact SD-CG 4Å; P218-M374 HydrophobicContact CG-CB 4.18Å; P218-M374 HydrophobicContact CG-CE 3.58Å; P218-M374 HydrophobicContact CG-CG 4.3Å; I370-M374 WeakPolarHBondContact O-CB 3.5Å; I370-M374 PolarHBondContact O-N 2.89Å; N371-M374 PolarHBondContact O-N 3.12Å; Y372-M374 VanDerWaalsContact C-N 3.3Å; Y372-M374 PolarHBondContact O-N 3.44Å; M374-V376 PolarHBondContact O-N 2.9Å; M374-A377 PolarHBondContact O-N 3.06Å; M374-L378 HydrophobicContact CG-CD1 4.07Å; M374-L378 HydrophobicContact CG-CG 4.26Å; M374-L378 VanDerWaalsContact O-CG 3.28Å; M374-L378 WeakPolarHBondContact O-CG 3.32Å; M374-L378 PolarHBondContact O-N 2.83Å; M374-L378 HydrophobicContact SD-CD1 4.38Å; M374-L378 HydrophobicContact SD-CD2 4.28Å; M374-L378 HydrophobicContact SD-CG 4.08Å; M374-L525 HydrophobicContact CB-CD1 4.41Å; M374-L525 HydrophobicContact CE-CD1 3.94Å; M374-W528 HydrophobicContact CE-CZ3 4.16Å; M374-L529 HydrophobicContact CE-CD2 4.31Å |
| 375 | G | 88.7 | Confident | 89.1 | Confident | 3 Ų | 3 | 20 Ų | 20 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | N371 Y372 L373 | N371-G375 PolarHBondContact O-N 2.97Å; Y372-G375 WeakPolarHBondContact O-CA 3.24Å; Y372-G375 PolarHBondContact O-N 2.59Å; L373-G375 VanDerWaalsContact C-N 3.32Å; L373-G375 PolarHBondContact O-N 3.38Å |
| 376 | V | 90.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 17.9 Ų | 17.9 | 7% | 0.073 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.5 | -38.9 | 174.7 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | L345 Y372 L373 M374 L378 Q379 S380 F521 F522 | L345-V376 HydrophobicContact CD2-CG1 4.21Å; Y372-V376 HydrophobicContact CD2-CG2 4.26Å; Y372-V376 HydrophobicContact CE1-CG2 4.15Å; Y372-V376 HydrophobicContact CE2-CG2 3.73Å; Y372-V376 PolarHBondContact O-N 2.72Å; L373-V376 PolarHBondContact O-N 3.28Å; M374-V376 PolarHBondContact O-N 2.9Å; V376-L378 PolarHBondContact O-N 3.43Å; V376-Q379 PolarHBondContact O-N 2.95Å; V376-S380 VanDerWaalsContact O-CB 3.31Å; V376-S380 WeakPolarHBondContact O-CB 3.46Å; V376-S380 PolarHBondContact O-N 3.36Å; V376-S380 PolarHBondContact O-OG 3.11Å; V376-F521 HydrophobicContact CB-CE1 4.46Å; V376-F521 HydrophobicContact CG1-CE1 4.17Å; V376-F522 HydrophobicContact CB-CE1 4.06Å; V376-F522 HydrophobicContact CB-CZ 4.18Å; V376-F522 HydrophobicContact CG1-CE1 4.18Å; V376-F522 HydrophobicContact CG1-CZ 3.8Å |
| 377 | A | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | L373 M374 Q379 S380 L381 P382 F522 L525 | L373-A377 VanDerWaalsContact O-CB 3.23Å; L373-A377 WeakPolarHBondContact O-CB 3.16Å; L373-A377 PolarHBondContact O-N 2.95Å; M374-A377 PolarHBondContact O-N 3.06Å; A377-Q379 PolarHBondContact O-N 3.47Å; A377-S380 PolarHBondContact O-N 3.28Å; A377-L381 HydrophobicContact CB-CD1 3.85Å; A377-L381 HydrophobicContact CB-CG 4.26Å; A377-L381 WeakPolarHBondContact O-CB 3.47Å; A377-L381 WeakPolarHBondContact O-CG 3.38Å; A377-L381 PolarHBondContact O-N 3.2Å; A377-P382 VanDerWaalsContact O-CD 3.29Å; A377-P382 WeakPolarHBondContact O-CD 3.3Å; A377-F522 HydrophobicContact CB-CD1 4.1Å; A377-F522 HydrophobicContact CB-CE1 3.63Å; A377-F522 HydrophobicContact CB-CZ 4.2Å; A377-L525 HydrophobicContact CB-CD2 3.58Å |
| 378 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.5 | -23.4 | 178.1 | -69.9 | 176.6 | 0 | 0 | 0 | 113.6 | L176 W209 M213 L216 M374 V376 P382 | L176-L378 HydrophobicContact CD1-CD2 4.13Å; L176-L378 HydrophobicContact CD2-CD2 4.31Å; W209-L378 WeakPolarHBondContact CA-O 3.38Å; W209-L378 HydrophobicContact CB-CB 4.06Å; W209-L378 HydrophobicContact CB-CD2 3.86Å; W209-L378 WeakPolarHBondContact CB-O 3.49Å; W209-L378 HydrophobicContact CE3-CD2 3.95Å; W209-L378 PolarHBondContact N-O 3.4Å; M213-L378 HydrophobicContact CB-CD1 4.3Å; M213-L378 HydrophobicContact SD-CD1 3.68Å; L216-L378 HydrophobicContact CD1-CD2 3.67Å; M374-L378 HydrophobicContact CG-CD1 4.07Å; M374-L378 HydrophobicContact CG-CG 4.26Å; M374-L378 VanDerWaalsContact O-CG 3.28Å; M374-L378 WeakPolarHBondContact O-CG 3.32Å; M374-L378 PolarHBondContact O-N 2.83Å; M374-L378 HydrophobicContact SD-CD1 4.38Å; M374-L378 HydrophobicContact SD-CD2 4.28Å; M374-L378 HydrophobicContact SD-CG 4.08Å; V376-L378 PolarHBondContact O-N 3.43Å; L378-P382 WeakPolarHBondContact O-CD 3.24Å; L378-P382 WeakPolarHBondContact O-CG 3.44Å |
| 379 | Q | 87.2 | Confident | 90.9 | Very high | 8 Ų | 8 | 4 Ų | 4 | 4% | 0.037 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -92 | -37.6 | 176.5 | -170.1 | -177.3 | 18.6 | 0 | 0 | 112.3 | S304 V376 A377 R383 | S304-Q379 PolarHBondContact OG-NE2 2.94Å; V376-Q379 PolarHBondContact O-N 2.95Å; A377-Q379 PolarHBondContact O-N 3.47Å; Q379-R383 WeakPolarHBondContact O-CB 3.48Å |
| 380 | S | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -89.8 | -47.3 | -166.7 | -46.2 | 0 | 0 | 0 | 0 | 112 | V376 A377 R383 I384 E453 R456 | V376-S380 VanDerWaalsContact O-CB 3.31Å; V376-S380 WeakPolarHBondContact O-CB 3.46Å; V376-S380 PolarHBondContact O-N 3.36Å; V376-S380 PolarHBondContact O-OG 3.11Å; A377-S380 PolarHBondContact O-N 3.28Å; S380-R383 PolarHBondContact O-N 3.35Å; S380-I384 WeakPolarHBondContact O-CG1 3.18Å; S380-I384 PolarHBondContact O-N 3.43Å; S380-I384 VanDerWaalsContact O-N 3.15Å; S380-E453 VanDerWaalsContact CA-OE1 3.27Å; S380-E453 WeakPolarHBondContact CA-OE1 3.02Å; S380-E453 WeakPolarHBondContact CB-OE1 2.89Å; S380-E453 PolarHBondContact OG-OE1 3.46Å; S380-R456 PolarHBondContact OG-NH2 3.49Å |
| 381 | L | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -68.4 | -44.1 | -173.4 | -52.3 | 179.8 | 0 | 0 | 0 | 112.1 | L169 L172 Y173 L176 A377 R383 I384 A385 L518 F522 | L169-L381 HydrophobicContact CD1-CD2 3.59Å; L169-L381 HydrophobicContact CD2-CD2 4.06Å; L169-L381 HydrophobicContact CG-CD2 4.15Å; L172-L381 HydrophobicContact CD1-CD1 4.5Å; L172-L381 HydrophobicContact CD2-CD1 3.99Å; L172-L381 HydrophobicContact CD2-CD2 4.05Å; L172-L381 HydrophobicContact CG-CD1 3.8Å; Y173-L381 HydrophobicContact CD2-CB 4.04Å; L176-L381 HydrophobicContact CD2-CB 4.41Å; L176-L381 HydrophobicContact CD2-CD1 3.86Å; A377-L381 HydrophobicContact CB-CD1 3.85Å; A377-L381 HydrophobicContact CB-CG 4.26Å; A377-L381 WeakPolarHBondContact O-CB 3.47Å; A377-L381 WeakPolarHBondContact O-CG 3.38Å; A377-L381 PolarHBondContact O-N 3.2Å; L381-R383 VanDerWaalsContact C-N 3.33Å; L381-R383 PolarHBondContact O-N 3.31Å; L381-I384 PolarHBondContact O-N 3.38Å; L381-A385 PolarHBondContact O-N 3.21Å; L381-A385 VanDerWaalsContact O-N 3.17Å; L381-L518 HydrophobicContact CD2-CD2 4.29Å; L381-F522 HydrophobicContact CD2-CD2 4.48Å; L381-F522 HydrophobicContact CD2-CE2 4.18Å |
| 382 | P | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -66.8 | -33.5 | 176.7 | -21.1 | 35.2 | 0 | 0 | 0 | 113.3 | S206 E207 W209 A377 L378 A385 F386 | S206-P382 WeakPolarHBondContact O-CB 3.29Å; E207-P382 CarbonylContact O-C 3.56Å; W209-P382 HydrophobicContact CB-CG 4.12Å; W209-P382 HydrophobicContact CD2-CB 4.06Å; W209-P382 HydrophobicContact CD2-CG 3.42Å; W209-P382 VanDerWaalsContact CD2-CG 3.42Å; W209-P382 HydrophobicContact CE3-CG 3.99Å; W209-P382 HydrophobicContact CG-CB 4.01Å; W209-P382 HydrophobicContact CG-CG 3.49Å; W209-P382 VanDerWaalsContact CG-CG 3.49Å; W209-P382 HydrophobicContact CZ2-CB 4.31Å; W209-P382 HydrophobicContact CZ2-CG 4.22Å; A377-P382 VanDerWaalsContact O-CD 3.29Å; A377-P382 WeakPolarHBondContact O-CD 3.3Å; L378-P382 WeakPolarHBondContact O-CD 3.24Å; L378-P382 WeakPolarHBondContact O-CG 3.44Å; P382-A385 WeakPolarHBondContact O-CB 3.24Å; P382-A385 PolarHBondContact O-N 3.32Å; P382-F386 WeakPolarHBondContact O-CB 3.23Å; P382-F386 PolarHBondContact O-N 2.97Å |
| 383 | R | 90.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 5.1 Ų | 5.1 | 8% | 0.083 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.4 | -174.7 | -177.8 | -67 | 166.8 | 1.2 | 112.1 | E207 Q379 S380 L381 F386 Y387 E453 | E207-R383 WeakPolarHBondContact O-CA 3.5Å; E207-R383 WeakPolarHBondContact O-CB 3.28Å; E207-R383 PolarHBondContact O-N 2.88Å; Q379-R383 WeakPolarHBondContact O-CB 3.48Å; S380-R383 PolarHBondContact O-N 3.35Å; L381-R383 VanDerWaalsContact C-N 3.33Å; L381-R383 PolarHBondContact O-N 3.31Å; R383-F386 PolarHBondContact O-N 3.34Å; R383-Y387 HydrophobicContact CG-CD2 3.73Å; R383-Y387 HydrophobicContact CG-CE2 3.32Å; R383-Y387 WeakPolarHBondContact O-CD2 3.34Å; R383-Y387 PolarHBondContact O-N 3.18Å; R383-E453 IonicContact NH1-OE2 2.77Å |
| 384 | I | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 174.9 | -64.4 | 168.9 | 0 | 0 | 0 | 110.2 | W166 L169 S380 L381 F386 Y387 H388 L450 E453 F454 L518 | W166-I384 HydrophobicContact CE3-CG2 3.9Å; W166-I384 HydrophobicContact CZ3-CG2 4.24Å; L169-I384 HydrophobicContact CD2-CB 3.77Å; L169-I384 HydrophobicContact CD2-CD1 3.4Å; L169-I384 VanDerWaalsContact CD2-CD1 3.4Å; L169-I384 HydrophobicContact CD2-CG1 4.17Å; L169-I384 HydrophobicContact CD2-CG2 3.57Å; S380-I384 WeakPolarHBondContact O-CG1 3.18Å; S380-I384 PolarHBondContact O-N 3.43Å; S380-I384 VanDerWaalsContact O-N 3.15Å; L381-I384 PolarHBondContact O-N 3.38Å; I384-F386 VanDerWaalsContact C-N 3.29Å; I384-F386 PolarHBondContact O-N 3.27Å; I384-Y387 PolarHBondContact O-N 2.79Å; I384-H388 VanDerWaalsContact O-CB 3.29Å; I384-H388 WeakPolarHBondContact O-CB 3.46Å; I384-H388 PolarHBondContact O-N 3.25Å; I384-L450 HydrophobicContact CG2-CG 4.46Å; I384-E453 HydrophobicContact CD1-CB 4.35Å; I384-E453 HydrophobicContact CD1-CG 3.68Å; I384-E453 HydrophobicContact CG1-CB 3.95Å; I384-E453 HydrophobicContact CG1-CG 3.45Å; I384-E453 VanDerWaalsContact CG1-CG 3.45Å; I384-F454 HydrophobicContact CB-CE2 4.5Å; I384-F454 HydrophobicContact CD1-CD2 4.42Å; I384-F454 HydrophobicContact CD1-CE1 4.35Å; I384-F454 HydrophobicContact CD1-CE2 4.02Å; I384-F454 HydrophobicContact CD1-CZ 4Å; I384-F454 HydrophobicContact CG1-CE2 4.25Å; I384-F454 HydrophobicContact CG2-CE2 3.43Å; I384-F454 VanDerWaalsContact CG2-CE2 3.43Å; I384-F454 HydrophobicContact CG2-CZ 3.68Å; I384-L518 HydrophobicContact CD1-CD1 3.79Å |
| 385 | A | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | W166 Y173 L381 P382 S389 Y419 | W166-A385 HydrophobicContact CE3-CB 4.5Å; W166-A385 HydrophobicContact CH2-CB 3.18Å; W166-A385 HydrophobicContact CZ2-CB 4Å; W166-A385 HydrophobicContact CZ3-CB 3.48Å; W166-A385 VanDerWaalsContact CZ3-CB 3.48Å; Y173-A385 HydrophobicContact CD2-CB 4.49Å; Y173-A385 HydrophobicContact CE2-CB 4.05Å; L381-A385 PolarHBondContact O-N 3.21Å; L381-A385 VanDerWaalsContact O-N 3.17Å; P382-A385 WeakPolarHBondContact O-CB 3.24Å; P382-A385 PolarHBondContact O-N 3.32Å; A385-S389 PolarHBondContact O-N 3.39Å; A385-S389 PolarHBondContact O-OG 3.18Å; A385-Y419 HydrophobicContact CB-CD2 4.39Å; A385-Y419 HydrophobicContact CB-CG 4.16Å |
| 386 | F | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.6 | -52.1 | 178 | 175.7 | -100.6 | 0 | 0 | 0 | 112.4 | W205 E207 P382 R383 I384 H388 S389 L390 W411 H437 | W205-F386 HydrophobicContact CB-CD2 4.2Å; W205-F386 HydrophobicContact CB-CE2 3.73Å; W205-F386 HydrophobicContact CB-CZ 3.94Å; W205-F386 HydrophobicContact CG-CE2 4.31Å; W205-F386 HydrophobicContact CG-CZ 4.15Å; E207-F386 HydrophobicContact CB-CB 3.88Å; E207-F386 HydrophobicContact CB-CD1 3.96Å; E207-F386 HydrophobicContact CB-CG 3.89Å; E207-F386 WeakPolarHBondContact OE2-CD1 3.36Å; P382-F386 WeakPolarHBondContact O-CB 3.23Å; P382-F386 PolarHBondContact O-N 2.97Å; R383-F386 PolarHBondContact O-N 3.34Å; I384-F386 VanDerWaalsContact C-N 3.29Å; I384-F386 PolarHBondContact O-N 3.27Å; F386-H388 VanDerWaalsContact C-N 3.3Å; F386-H388 PolarHBondContact O-N 3.3Å; F386-S389 PolarHBondContact O-N 2.83Å; F386-L390 HydrophobicContact CE1-CD2 4.05Å; F386-L390 HydrophobicContact CZ-CD2 4.35Å; F386-L390 WeakPolarHBondContact O-CB 3.39Å; F386-L390 PolarHBondContact O-N 3.23Å; F386-W411 HydrophobicContact CD2-CH2 4.22Å; F386-W411 HydrophobicContact CD2-CZ2 4.23Å; F386-W411 AromaticContact CE2-CH2 3.95Å; F386-W411 HydrophobicContact CE2-CH2 3.95Å; F386-W411 AromaticContact CE2-CZ2 3.75Å; F386-W411 HydrophobicContact CE2-CZ2 3.75Å; F386-H437 HydrophobicContact CE1-CB 4.43Å; F386-H437 AromaticContact CE1-CD2 3.45Å; F386-H437 VanDerWaalsContact CE1-CD2 3.45Å; F386-H437 WeakPolarHBondContact CE1-CD2 3.42Å; F386-H437 AromaticContact CE1-CG 3.84Å; F386-H437 AromaticContact CE1-NE2 3.81Å; F386-H437 HydrophobicContact CZ-CB 3.93Å; F386-H437 AromaticContact CZ-CD2 3.52Å; F386-H437 AromaticContact CZ-CG 3.79Å |
| 387 | Y | 92.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 7.4 Ų | 7.4 | 2% | 0.016 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -68.1 | -29.6 | -178.3 | -69.7 | -43.1 | 0 | 0 | 0 | 113.4 | E207 R383 I384 L390 N391 H437 L439 L449 | E207-Y387 PolarHBondContact OE2-OH 3Å; R383-Y387 HydrophobicContact CG-CD2 3.73Å; R383-Y387 HydrophobicContact CG-CE2 3.32Å; R383-Y387 WeakPolarHBondContact O-CD2 3.34Å; R383-Y387 PolarHBondContact O-N 3.18Å; I384-Y387 PolarHBondContact O-N 2.79Å; Y387-L390 HydrophobicContact CD1-CD2 4.16Å; Y387-N391 VanDerWaalsContact O-CB 3.26Å; Y387-N391 WeakPolarHBondContact O-CB 3.35Å; Y387-N391 PolarHBondContact O-N 2.94Å; Y387-H437 AromaticContact CE1-CE1 3.87Å; Y387-L439 HydrophobicContact CD1-CD1 4.18Å; Y387-L439 HydrophobicContact CE1-CD1 3.74Å; Y387-L449 HydrophobicContact CD2-CB 3.85Å; Y387-L449 HydrophobicContact CE1-CD1 4.09Å; Y387-L449 HydrophobicContact CE2-CB 3.76Å; Y387-L449 HydrophobicContact CE2-CD1 4.17Å; Y387-L449 HydrophobicContact CG-CB 4.35Å |
| 388 | H | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.2 | -51.9 | 171.7 | 167.6 | -97.5 | 0 | 0 | 0 | 111 | E163 W166 I384 F386 L390 N391 K392 D418 L450 | E163-H388 IonicContact OE1-NE2 3.17Å; E163-H388 IonicContact OE2-CD2 2.69Å; E163-H388 IonicContact OE2-CE1 3.92Å; E163-H388 IonicContact OE2-NE2 3.13Å; E163-H388 PolarHBondContact OE2-NE2 3.24Å; W166-H388 HydrophobicContact CB-CB 4.42Å; W166-H388 WeakPolarHBondContact CB-CD2 3.47Å; W166-H388 AromaticContact CD1-CD2 3.84Å; W166-H388 AromaticContact CD1-CE1 3.13Å; W166-H388 AromaticContact CD1-CG 3.88Å; W166-H388 AromaticContact CD1-ND1 3.5Å; W166-H388 AromaticContact CD1-NE2 3.37Å; W166-H388 HydrophobicContact CD2-CB 4.42Å; W166-H388 HydrophobicContact CG-CB 4.33Å; W166-H388 AromaticContact CG-CD2 3.62Å; W166-H388 AromaticContact CG-CE1 3.67Å; W166-H388 AromaticContact CG-CG 3.64Å; W166-H388 AromaticContact CG-ND1 3.71Å; W166-H388 AromaticContact CG-NE2 3.64Å; W166-H388 AromaticContact NE1-CE1 3.59Å; W166-H388 AromaticContact NE1-ND1 3.69Å; I384-H388 VanDerWaalsContact O-CB 3.29Å; I384-H388 WeakPolarHBondContact O-CB 3.46Å; I384-H388 PolarHBondContact O-N 3.25Å; F386-H388 VanDerWaalsContact C-N 3.3Å; F386-H388 PolarHBondContact O-N 3.3Å; H388-L390 PolarHBondContact O-N 3.47Å; H388-N391 PolarHBondContact O-N 2.98Å; H388-K392 WeakPolarHBondContact CE1-CE 3.28Å; H388-K392 PolarHBondContact CE1-NZ 3.3Å; H388-K392 VanDerWaalsContact NE2-CE 3.31Å; H388-K392 WeakPolarHBondContact NE2-CE 3.31Å; H388-K392 PolarHBondContact O-N 3.23Å; H388-D418 IonicContact CE1-OD1 3.87Å; H388-L450 HydrophobicContact CB-CD1 3.65Å |
| 389 | S | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 178.6 | -52 | 0 | 0 | 0 | 0 | 111.9 | A385 F386 N391 K392 W393 D418 Y419 | A385-S389 PolarHBondContact O-N 3.39Å; A385-S389 PolarHBondContact O-OG 3.18Å; F386-S389 PolarHBondContact O-N 2.83Å; S389-N391 VanDerWaalsContact C-N 3.34Å; S389-K392 WeakPolarHBondContact O-CB 3.36Å; S389-K392 PolarHBondContact O-N 3.05Å; S389-W393 PolarHBondContact O-N 3.27Å; S389-D418 WeakPolarHBondContact OG-CB 3.39Å; S389-Y419 WeakPolarHBondContact OG-CD1 3.46Å; S389-Y419 WeakPolarHBondContact OG-CE1 3.03Å |
| 390 | L | 90 | Very high | 87.5 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 177 | -180 | 59.9 | 0 | 0 | 0 | 111.2 | F386 Y387 H388 W393 Q394 W411 P435 H437 L439 I440 A446 | F386-L390 HydrophobicContact CE1-CD2 4.05Å; F386-L390 HydrophobicContact CZ-CD2 4.35Å; F386-L390 WeakPolarHBondContact O-CB 3.39Å; F386-L390 PolarHBondContact O-N 3.23Å; Y387-L390 HydrophobicContact CD1-CD2 4.16Å; H388-L390 PolarHBondContact O-N 3.47Å; L390-W393 HydrophobicContact CD1-CE3 4.43Å; L390-W393 PolarHBondContact O-N 3.48Å; L390-Q394 HydrophobicContact CD1-CG 4.44Å; L390-Q394 WeakPolarHBondContact O-CG 3.47Å; L390-Q394 PolarHBondContact O-N 3.32Å; L390-W411 HydrophobicContact CB-CH2 4.4Å; L390-W411 HydrophobicContact CB-CZ3 4.47Å; L390-P435 HydrophobicContact CD1-CB 3.6Å; L390-P435 HydrophobicContact CD1-CG 3.51Å; L390-H437 HydrophobicContact CD2-CB 4.33Å; L390-L439 HydrophobicContact CD2-CD1 4.04Å; L390-I440 HydrophobicContact CD1-CD1 3.92Å; L390-I440 HydrophobicContact CD1-CG1 4Å; L390-A446 HydrophobicContact CB-CB 4.05Å; L390-A446 HydrophobicContact CD2-CB 3.81Å; L390-A446 HydrophobicContact CG-CB 3.76Å |
| 391 | N | 89.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.5 | -170.5 | 71.2 | 0 | 0 | 0 | 111.5 | Y146 Y387 H388 S389 Q394 K395 A446 Y447 | Y146-N391 PolarHBondContact OH-ND2 2.96Å; Y146-N391 PolarHBondContact OH-OD1 3.16Å; Y387-N391 VanDerWaalsContact O-CB 3.26Å; Y387-N391 WeakPolarHBondContact O-CB 3.35Å; Y387-N391 PolarHBondContact O-N 2.94Å; H388-N391 PolarHBondContact O-N 2.98Å; S389-N391 VanDerWaalsContact C-N 3.34Å; N391-Q394 PolarHBondContact O-N 3Å; N391-K395 WeakPolarHBondContact O-CB 3.49Å; N391-K395 PolarHBondContact O-N 2.99Å; N391-A446 HydrophobicContact CB-CB 4.01Å; N391-Y447 PolarHBondContact OD1-N 2.9Å |
| 392 | K | 88.2 | Confident | 85.3 | Confident | 50 Ų | 50 | 21.4 Ų | 21.4 | 22% | 0.217 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 173.4 | -78.1 | -176.2 | 173.8 | 178.3 | 0 | 112.3 | E163 H388 S389 K395 A396 L414 D418 | E163-K392 IonicContact OE1-NZ 3.27Å; E163-K392 PolarHBondContact OE1-NZ 3.41Å; E163-K392 WeakPolarHBondContact OE2-CE 3.5Å; E163-K392 IonicContact OE2-NZ 3.07Å; E163-K392 PolarHBondContact OE2-NZ 2.93Å; E163-K392 VanDerWaalsContact OE2-NZ 3.13Å; H388-K392 WeakPolarHBondContact CE1-CE 3.28Å; H388-K392 PolarHBondContact CE1-NZ 3.3Å; H388-K392 VanDerWaalsContact NE2-CE 3.31Å; H388-K392 WeakPolarHBondContact NE2-CE 3.31Å; H388-K392 PolarHBondContact O-N 3.23Å; S389-K392 WeakPolarHBondContact O-CB 3.36Å; S389-K392 PolarHBondContact O-N 3.05Å; K392-K395 PolarHBondContact O-N 2.63Å; K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 2.95Å; K392-L414 HydrophobicContact CB-CD1 4.46Å; K392-D418 WeakPolarHBondContact CD-OD2 3.48Å; K392-D418 IonicContact NZ-OD1 3.52Å; K392-D418 PolarHBondContact NZ-OD1 3.43Å |
| 393 | W | 88.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 177.4 | -176.7 | 86.1 | 0 | 0 | 0 | 111.8 | F129 S389 L390 K395 A396 L397 G407 W411 L414 P435 I440 | F129-W393 HydrophobicContact CD1-CH2 4.47Å; F129-W393 AromaticContact CE1-CH2 3.47Å; F129-W393 HydrophobicContact CE1-CH2 3.47Å; F129-W393 VanDerWaalsContact CE1-CH2 3.47Å; F129-W393 HydrophobicContact CE1-CZ2 4.4Å; F129-W393 HydrophobicContact CE1-CZ3 4.13Å; F129-W393 AromaticContact CZ-CH2 3.8Å; F129-W393 HydrophobicContact CZ-CH2 3.8Å; F129-W393 AromaticContact CZ-CZ3 3.97Å; F129-W393 HydrophobicContact CZ-CZ3 3.97Å; S389-W393 PolarHBondContact O-N 3.27Å; L390-W393 HydrophobicContact CD1-CE3 4.43Å; L390-W393 PolarHBondContact O-N 3.48Å; W393-K395 PolarHBondContact O-N 3.34Å; W393-A396 PolarHBondContact O-N 3.4Å; W393-L397 HydrophobicContact CH2-CD2 3.86Å; W393-L397 HydrophobicContact CZ2-CD2 4.27Å; W393-L397 HydrophobicContact CZ3-CD2 4.09Å; W393-L397 WeakPolarHBondContact O-CB 3.4Å; W393-L397 PolarHBondContact O-N 3.02Å; W393-G407 PolarHBondContact NE1-O 3.39Å; W393-W411 HydrophobicContact CB-CE3 3.96Å; W393-W411 HydrophobicContact CB-CZ3 4.23Å; W393-W411 HydrophobicContact CG-CE3 4.07Å; W393-L414 HydrophobicContact CB-CD1 3.57Å; W393-L414 HydrophobicContact CG-CD1 4.21Å; W393-P435 HydrophobicContact CD2-CG 3.67Å; W393-P435 HydrophobicContact CE3-CG 3.72Å; W393-P435 HydrophobicContact CG-CG 4.06Å; W393-P435 HydrophobicContact CH2-CG 4.43Å; W393-P435 HydrophobicContact CZ2-CG 4.43Å; W393-P435 HydrophobicContact CZ3-CG 4.12Å; W393-I440 HydrophobicContact CE3-CD1 4.4Å; W393-I440 HydrophobicContact CH2-CD1 4.21Å; W393-I440 HydrophobicContact CH2-CG2 4.34Å; W393-I440 HydrophobicContact CZ3-CD1 3.79Å; W393-I440 HydrophobicContact CZ3-CG1 4.15Å; W393-I440 HydrophobicContact CZ3-CG2 4.16Å |
| 394 | Q | 86.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 177 | -74.5 | -178.9 | -42.5 | 0 | 0 | 111.5 | W149 L390 N391 L397 Y398 E444 | W149-Q394 HydrophobicContact CZ3-CB 4.04Å; W149-Q394 HydrophobicContact CZ3-CG 4.47Å; L390-Q394 HydrophobicContact CD1-CG 4.44Å; L390-Q394 WeakPolarHBondContact O-CG 3.47Å; L390-Q394 PolarHBondContact O-N 3.32Å; N391-Q394 PolarHBondContact O-N 3Å; Q394-L397 PolarHBondContact O-N 3.15Å; Q394-Y398 HydrophobicContact CB-CD2 4.35Å; Q394-Y398 HydrophobicContact CB-CE2 4.47Å; Q394-Y398 WeakPolarHBondContact O-CB 2.88Å; Q394-Y398 WeakPolarHBondContact O-CD2 3.45Å; Q394-Y398 PolarHBondContact O-N 2.85Å; Q394-E444 PolarHBondContact NE2-O 3.37Å |
| 395 | K | 85.1 | Confident | 81.5 | Confident | 47 Ų | 47 | 33 Ų | 33 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.9 | -59.2 | 173.5 | -175.3 | 168.2 | -174.9 | 156.5 | 0 | 110.6 | Y146 E150 N391 K392 W393 L397 Y398 E399 | Y146-K395 HydrophobicContact CD1-CB 4.17Å; Y146-K395 HydrophobicContact CD1-CD 3.84Å; Y146-K395 HydrophobicContact CD1-CG 3.6Å; Y146-K395 VanDerWaalsContact CD2-CA 3.43Å; Y146-K395 HydrophobicContact CD2-CB 3.77Å; Y146-K395 HydrophobicContact CD2-CG 4.1Å; Y146-K395 HydrophobicContact CE1-CB 4.01Å; Y146-K395 HydrophobicContact CE1-CD 3.43Å; Y146-K395 VanDerWaalsContact CE1-CD 3.43Å; Y146-K395 HydrophobicContact CE1-CG 3.61Å; Y146-K395 HydrophobicContact CE2-CB 3.56Å; Y146-K395 HydrophobicContact CE2-CG 4.09Å; Y146-K395 HydrophobicContact CG-CB 4.06Å; Y146-K395 HydrophobicContact CG-CG 3.86Å; E150-K395 IonicContact OE1-NZ 3.63Å; E150-K395 PolarHBondContact OE1-NZ 3.12Å; N391-K395 WeakPolarHBondContact O-CB 3.49Å; N391-K395 PolarHBondContact O-N 2.99Å; K392-K395 PolarHBondContact O-N 2.63Å; W393-K395 PolarHBondContact O-N 3.34Å; K395-L397 PolarHBondContact O-N 2.95Å; K395-L397 VanDerWaalsContact O-N 3.09Å; K395-Y398 PolarHBondContact O-N 2.87Å; K395-Y398 VanDerWaalsContact O-N 3.12Å; K395-E399 VanDerWaalsContact CE-OE1 3.23Å; K395-E399 WeakPolarHBondContact CE-OE1 3.37Å; K395-E399 WeakPolarHBondContact CE-OE2 3.35Å; K395-E399 HydrophobicContact CG-CG 3.8Å; K395-E399 IonicContact NZ-OE1 3.64Å; K395-E399 WeakPolarHBondContact O-CB 3.38Å; K395-E399 WeakPolarHBondContact O-CG 3.21Å; K395-E399 PolarHBondContact O-N 3.32Å |
| 396 | A | 83.4 | Confident | 80.5 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.7 | -39.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K392 W393 L401 I402 L410 | K392-A396 WeakPolarHBondContact O-CB 3.48Å; K392-A396 PolarHBondContact O-N 2.95Å; W393-A396 PolarHBondContact O-N 3.4Å; A396-L401 WeakPolarHBondContact O-CB 3.37Å; A396-L401 PolarHBondContact O-N 3.36Å; A396-I402 HydrophobicContact CB-CD1 4.14Å; A396-I402 PolarHBondContact O-N 3.29Å; A396-L410 HydrophobicContact CB-CD2 3.81Å |
| 397 | L | 80.5 | Confident | 79.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.2 | -48.9 | 178.6 | -172.5 | 70.3 | 0 | 0 | 0 | 112.9 | F129 V133 K137 W393 Q394 K395 N400 I402 | F129-L397 HydrophobicContact CE1-CD2 3.33Å; F129-L397 HydrophobicContact CZ-CD2 3.33Å; V133-L397 HydrophobicContact CG1-CD1 4.3Å; V133-L397 HydrophobicContact CG1-CD2 4.4Å; V133-L397 HydrophobicContact CG1-CG 4.04Å; V133-L397 HydrophobicContact CG2-CD2 3.77Å; V133-L397 HydrophobicContact CG2-CG 4.31Å; K137-L397 WeakPolarHBondContact CE-O 3.39Å; K137-L397 PolarHBondContact NZ-O 3.31Å; W393-L397 HydrophobicContact CH2-CD2 3.86Å; W393-L397 HydrophobicContact CZ2-CD2 4.27Å; W393-L397 HydrophobicContact CZ3-CD2 4.09Å; W393-L397 WeakPolarHBondContact O-CB 3.4Å; W393-L397 PolarHBondContact O-N 3.02Å; Q394-L397 PolarHBondContact O-N 3.15Å; K395-L397 PolarHBondContact O-N 2.95Å; K395-L397 VanDerWaalsContact O-N 3.09Å; L397-N400 PolarHBondContact O-N 3.47Å; L397-I402 HydrophobicContact CD1-CD1 4.42Å; L397-I402 HydrophobicContact CD1-CG1 4.29Å |
| 398 | Y | 81.4 | Confident | 77.9 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -79.2 | -23 | -174.6 | -73.9 | -57.8 | 0 | 0 | 0 | 114.3 | F132 V133 N144 Y145 W149 Q394 K395 N400 N443 | F132-Y398 HydrophobicContact CE1-CE1 4.46Å; V133-Y398 HydrophobicContact CG2-CE1 3.91Å; N144-Y398 PolarHBondContact OD1-O 3.2Å; Y145-Y398 AromaticContact CD1-CD1 3.67Å; Y145-Y398 HydrophobicContact CD1-CD1 3.67Å; Y145-Y398 HydrophobicContact CD1-CD2 4.43Å; Y145-Y398 AromaticContact CD1-CE1 3.93Å; Y145-Y398 HydrophobicContact CD1-CE1 3.93Å; Y145-Y398 AromaticContact CD1-CG 3.95Å; Y145-Y398 HydrophobicContact CD1-CG 3.95Å; Y145-Y398 HydrophobicContact CE1-CE1 4.36Å; Y145-Y398 HydrophobicContact CG-CD1 4.33Å; Y145-Y398 PolarHBondContact N-O 3.37Å; W149-Y398 HydrophobicContact CE3-CD2 4.49Å; W149-Y398 AromaticContact CH2-CD2 3.83Å; W149-Y398 HydrophobicContact CH2-CD2 3.83Å; W149-Y398 AromaticContact CH2-CE2 3.35Å; W149-Y398 HydrophobicContact CH2-CE2 3.35Å; W149-Y398 HydrophobicContact CZ2-CE2 4.14Å; W149-Y398 AromaticContact CZ3-CD2 3.75Å; W149-Y398 HydrophobicContact CZ3-CD2 3.75Å; W149-Y398 AromaticContact CZ3-CE2 3.74Å; W149-Y398 HydrophobicContact CZ3-CE2 3.74Å; Q394-Y398 HydrophobicContact CB-CD2 4.35Å; Q394-Y398 HydrophobicContact CB-CE2 4.47Å; Q394-Y398 WeakPolarHBondContact O-CB 2.88Å; Q394-Y398 WeakPolarHBondContact O-CD2 3.45Å; Q394-Y398 PolarHBondContact O-N 2.85Å; K395-Y398 PolarHBondContact O-N 2.87Å; K395-Y398 VanDerWaalsContact O-N 3.12Å; Y398-N400 PolarHBondContact O-N 3.41Å; Y398-N443 PolarHBondContact OH-OD1 2.86Å |
| 399 | E | 76.8 | Confident | 76.9 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.1 | 169.7 | -57.6 | -151.9 | 131.8 | 0 | 0 | 113 | N144 Y146 K395 L401 | N144-E399 VanDerWaalsContact ND2-CD 3.27Å; N144-E399 WeakPolarHBondContact ND2-CG 3.26Å; N144-E399 PolarHBondContact ND2-OE1 3.27Å; N144-E399 WeakPolarHBondContact OD1-CA 3.2Å; N144-E399 WeakPolarHBondContact OD1-CG 3.29Å; Y146-E399 HydrophobicContact CD1-CG 4.47Å; Y146-E399 HydrophobicContact CG-CG 4.33Å; K395-E399 VanDerWaalsContact CE-OE1 3.23Å; K395-E399 WeakPolarHBondContact CE-OE1 3.37Å; K395-E399 WeakPolarHBondContact CE-OE2 3.35Å; K395-E399 HydrophobicContact CG-CG 3.8Å; K395-E399 IonicContact NZ-OE1 3.64Å; K395-E399 WeakPolarHBondContact O-CB 3.38Å; K395-E399 WeakPolarHBondContact O-CG 3.21Å; K395-E399 PolarHBondContact O-N 3.32Å; E399-L401 HydrophobicContact CB-CD1 4.03Å; E399-L401 HydrophobicContact CB-CG 3.82Å; E399-L401 PolarHBondContact O-N 2.83Å |
| 400 | N | 68.5 | Low | 76.4 | Confident | 102 Ų | 102 | 43.8 Ų | 43.8 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 26.2 | -176.2 | -149 | 25 | 0 | 0 | 0 | 113.5 | K137 L397 Y398 I402 | K137-N400 HydrophobicContact CD-CB 4.37Å; K137-N400 WeakPolarHBondContact CD-OD1 3.32Å; K137-N400 VanDerWaalsContact CE-OD1 3.23Å; K137-N400 WeakPolarHBondContact CE-OD1 3.48Å; K137-N400 PolarHBondContact NZ-OD1 2.84Å; L397-N400 PolarHBondContact O-N 3.47Å; Y398-N400 PolarHBondContact O-N 3.41Å; N400-I402 VanDerWaalsContact C-N 3.25Å; N400-I402 PolarHBondContact O-N 2.74Å |
| 401 | L | 68.6 | Low | 76 | Confident | 119 Ų | 119 | 44 Ų | 44 | 62% | 0.623 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -72.3 | -21.4 | 177.4 | -64.8 | 173.8 | 0 | 0 | 0 | 112.2 | A396 E399 | A396-L401 WeakPolarHBondContact O-CB 3.37Å; A396-L401 PolarHBondContact O-N 3.36Å; E399-L401 HydrophobicContact CB-CD1 4.03Å; E399-L401 HydrophobicContact CB-CG 3.82Å; E399-L401 PolarHBondContact O-N 2.83Å |
| 402 | I | 71.2 | Confident | 75.5 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -133 | 148.9 | 175.9 | 65.4 | -172.4 | 0 | 0 | 0 | 110.4 | A396 L397 N400 F406 L410 | A396-I402 HydrophobicContact CB-CD1 4.14Å; A396-I402 PolarHBondContact O-N 3.29Å; L397-I402 HydrophobicContact CD1-CD1 4.42Å; L397-I402 HydrophobicContact CD1-CG1 4.29Å; N400-I402 VanDerWaalsContact C-N 3.25Å; N400-I402 PolarHBondContact O-N 2.74Å; I402-F406 HydrophobicContact CB-CB 4.26Å; I402-L410 HydrophobicContact CD1-CB 4.19Å; I402-L410 HydrophobicContact CD1-CD2 3.36Å; I402-L410 HydrophobicContact CD1-CG 4.39Å; I402-L410 HydrophobicContact CG2-CD2 4.17Å |
| 403 | S | 69.5 | Low | 74.9 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | trans | -68.7 | 156.4 | 169 | 94.6 | 0 | 0 | 0 | 0 | 110.8 | E405 F406 G407 | S403-E405 VanDerWaalsContact C-N 3.3Å; S403-E405 PolarHBondContact O-N 3.26Å; S403-E405 PolarHBondContact OG-N 3.39Å; S403-F406 WeakPolarHBondContact O-CA 3.45Å; S403-F406 WeakPolarHBondContact O-CB 3.13Å; S403-F406 PolarHBondContact O-N 3.2Å; S403-F406 VanDerWaalsContact OG-CD2 3.24Å; S403-F406 WeakPolarHBondContact OG-CD2 3.39Å; S403-F406 PolarHBondContact OG-N 3.47Å; S403-G407 PolarHBondContact O-N 3.38Å | ||
| 404 | E | 63.6 | Low | 74.7 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -52.3 | -43.8 | 177.7 | -79.4 | 168 | -152.2 | 0 | 0 | 113 | L130 V133 A134 F406 G407 | L130-E404 HydrophobicContact CD2-CB 3.75Å; L130-E404 HydrophobicContact CD2-CG 4.06Å; L130-E404 HydrophobicContact CG-CB 4.49Å; V133-E404 HydrophobicContact CG1-CG 4.3Å; A134-E404 VanDerWaalsContact CA-OE1 3.28Å; A134-E404 WeakPolarHBondContact CA-OE1 3.38Å; A134-E404 VanDerWaalsContact CB-OE1 3.29Å; A134-E404 WeakPolarHBondContact CB-OE1 3.17Å; A134-E404 PolarHBondContact N-OE1 3.1Å; E404-F406 VanDerWaalsContact C-N 3.32Å; E404-F406 PolarHBondContact O-N 3.31Å; E404-G407 PolarHBondContact O-N 2.78Å |
| 405 | E | 62.6 | Low | 74.6 | Confident | 159 Ų | 159 | 50.5 Ų | 50.5 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -68.8 | -28.5 | 176.5 | -64.7 | -176.7 | 171 | 0 | 0 | 113.1 | S403 G407 | S403-E405 VanDerWaalsContact C-N 3.3Å; S403-E405 PolarHBondContact O-N 3.26Å; S403-E405 PolarHBondContact OG-N 3.39Å; E405-G407 VanDerWaalsContact C-N 3.31Å; E405-G407 PolarHBondContact O-N 3.43Å |
| 406 | F | 70.2 | Confident | 74.5 | Confident | 120 Ų | 120 | 50.9 Ų | 50.9 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -76.3 | -19.8 | 178.9 | -86.5 | -71.4 | 0 | 0 | 0 | 112.3 | I402 S403 E404 D408 T409 L410 | I402-F406 HydrophobicContact CB-CB 4.26Å; S403-F406 WeakPolarHBondContact O-CA 3.45Å; S403-F406 WeakPolarHBondContact O-CB 3.13Å; S403-F406 PolarHBondContact O-N 3.2Å; S403-F406 VanDerWaalsContact OG-CD2 3.24Å; S403-F406 WeakPolarHBondContact OG-CD2 3.39Å; S403-F406 PolarHBondContact OG-N 3.47Å; E404-F406 VanDerWaalsContact C-N 3.32Å; E404-F406 PolarHBondContact O-N 3.31Å; F406-D408 PolarHBondContact O-N 2.66Å; F406-T409 WeakPolarHBondContact CD1-OG1 3.38Å; F406-T409 PolarHBondContact O-N 3.34Å; F406-T409 PolarHBondContact O-OG1 2.97Å; F406-L410 PolarHBondContact O-N 3.45Å |
| 407 | G | 65.3 | Low | 74.4 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.9 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | W393 S403 E404 E405 L410 W411 | W393-G407 PolarHBondContact NE1-O 3.39Å; S403-G407 PolarHBondContact O-N 3.38Å; E404-G407 PolarHBondContact O-N 2.78Å; E405-G407 VanDerWaalsContact C-N 3.31Å; E405-G407 PolarHBondContact O-N 3.43Å; G407-L410 PolarHBondContact O-N 3.27Å; G407-W411 PolarHBondContact O-N 2.97Å |
| 408 | D | 65.9 | Low | 74.5 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.7 | -32.2 | 178.6 | -69.7 | -18.9 | 0 | 0 | 0 | 113.8 | F406 P412 F433 G434 | F406-D408 PolarHBondContact O-N 2.66Å; D408-P412 WeakPolarHBondContact O-CD 3.16Å; D408-P412 WeakPolarHBondContact O-CG 3.37Å; D408-F433 VanDerWaalsContact OD1-CA 3.22Å; D408-F433 WeakPolarHBondContact OD1-CA 3.39Å; D408-F433 WeakPolarHBondContact OD1-CB 3.32Å; D408-F433 WeakPolarHBondContact OD1-CD2 3.39Å; D408-F433 VanDerWaalsContact OD1-CE2 3.24Å; D408-F433 WeakPolarHBondContact OD1-CE2 3.2Å; D408-F433 WeakPolarHBondContact OD1-CG 3.16Å; D408-F433 WeakPolarHBondContact OD2-CD2 3.48Å; D408-G434 PolarHBondContact OD1-N 3.04Å; D408-G434 VanDerWaalsContact OD1-N 3.15Å |
| 409 | T | 70.5 | Confident | 74.8 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -81.3 | -25.9 | 174 | 66.2 | 0 | 0 | 0 | 0 | 112 | F406 R413 | F406-T409 WeakPolarHBondContact CD1-OG1 3.38Å; F406-T409 PolarHBondContact O-N 3.34Å; F406-T409 PolarHBondContact O-OG1 2.97Å; T409-R413 WeakPolarHBondContact O-CG 3.4Å |
| 410 | L | 79 | Confident | 75.3 | Confident | 31 Ų | 31 | 51 Ų | 51 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.1 | -43.2 | -178.6 | -177.4 | 64.4 | 0 | 0 | 0 | 111.8 | A396 I402 F406 G407 R413 L414 | A396-L410 HydrophobicContact CB-CD2 3.81Å; I402-L410 HydrophobicContact CD1-CB 4.19Å; I402-L410 HydrophobicContact CD1-CD2 3.36Å; I402-L410 HydrophobicContact CD1-CG 4.39Å; I402-L410 HydrophobicContact CG2-CD2 4.17Å; F406-L410 PolarHBondContact O-N 3.45Å; G407-L410 PolarHBondContact O-N 3.27Å; L410-R413 CarbonylContact O-C 3.6Å; L410-R413 WeakPolarHBondContact O-CA 3.41Å; L410-R413 WeakPolarHBondContact O-CB 3.13Å; L410-R413 PolarHBondContact O-N 3.04Å; L410-L414 HydrophobicContact CD1-CD1 4.34Å; L410-L414 HydrophobicContact CD1-CD2 4.36Å; L410-L414 HydrophobicContact CD1-CG 3.98Å; L410-L414 HydrophobicContact CD2-CD1 3.92Å; L410-L414 HydrophobicContact CD2-CG 4.46Å; L410-L414 HydrophobicContact CG-CD1 3.75Å; L410-L414 HydrophobicContact CG-CG 3.88Å; L410-L414 PolarHBondContact O-N 3.29Å |
| 411 | W | 82.4 | Confident | 76.2 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | -175.2 | 175.1 | -111.2 | 0 | 0 | 0 | 114.2 | F386 L390 W393 G407 R413 L414 R415 P435 | F386-W411 HydrophobicContact CD2-CH2 4.22Å; F386-W411 HydrophobicContact CD2-CZ2 4.23Å; F386-W411 AromaticContact CE2-CH2 3.95Å; F386-W411 HydrophobicContact CE2-CH2 3.95Å; F386-W411 AromaticContact CE2-CZ2 3.75Å; F386-W411 HydrophobicContact CE2-CZ2 3.75Å; L390-W411 HydrophobicContact CB-CH2 4.4Å; L390-W411 HydrophobicContact CB-CZ3 4.47Å; W393-W411 HydrophobicContact CB-CE3 3.96Å; W393-W411 HydrophobicContact CB-CZ3 4.23Å; W393-W411 HydrophobicContact CG-CE3 4.07Å; G407-W411 PolarHBondContact O-N 2.97Å; W411-R413 PolarHBondContact O-N 2.97Å; W411-L414 HydrophobicContact CE3-CB 4.38Å; W411-L414 PolarHBondContact O-N 2.96Å; W411-R415 VanDerWaalsContact NE1-CZ 3.35Å; W411-R415 WeakPolarHBondContact O-CB 3.27Å; W411-R415 PolarHBondContact O-N 2.91Å; W411-P435 HydrophobicContact CB-CG 4.49Å; W411-P435 HydrophobicContact CD2-CB 3.74Å; W411-P435 HydrophobicContact CD2-CG 3.53Å; W411-P435 VanDerWaalsContact CE2-CA 3.48Å; W411-P435 HydrophobicContact CE3-CB 4.03Å; W411-P435 HydrophobicContact CE3-CG 3.55Å; W411-P435 HydrophobicContact CG-CB 4.29Å; W411-P435 HydrophobicContact CG-CG 3.95Å; W411-P435 HydrophobicContact CH2-CB 3.89Å; W411-P435 HydrophobicContact CH2-CG 4.24Å; W411-P435 HydrophobicContact CZ2-CB 3.63Å; W411-P435 HydrophobicContact CZ2-CG 4.27Å; W411-P435 HydrophobicContact CZ3-CB 4.09Å; W411-P435 HydrophobicContact CZ3-CG 3.9Å |
| 412 | P | 77.2 | Confident | 76.9 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 21% | 0.208 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.5 | -31.7 | 173.7 | -24.3 | 34.7 | 0 | 0 | 0 | 112.9 | D408 N416 P423 | D408-P412 WeakPolarHBondContact O-CD 3.16Å; D408-P412 WeakPolarHBondContact O-CG 3.37Å; P412-N416 VanDerWaalsContact O-CB 3.26Å; P412-N416 WeakPolarHBondContact O-CB 3.48Å; P412-N416 PolarHBondContact O-N 3.34Å; P412-P423 HydrophobicContact CB-CG 4.31Å |
| 413 | R | 77.3 | Confident | 77.1 | Confident | 140 Ų | 140 | 42 Ų | 42 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.2 | -48.8 | 174.5 | -67.3 | 175.5 | -172.4 | 173.2 | 4.4 | 111.3 | T409 L410 W411 R415 N416 Q417 | T409-R413 WeakPolarHBondContact O-CG 3.4Å; L410-R413 CarbonylContact O-C 3.6Å; L410-R413 WeakPolarHBondContact O-CA 3.41Å; L410-R413 WeakPolarHBondContact O-CB 3.13Å; L410-R413 PolarHBondContact O-N 3.04Å; W411-R413 PolarHBondContact O-N 2.97Å; R413-R415 VanDerWaalsContact C-N 3.35Å; R413-R415 PolarHBondContact O-N 3.02Å; R413-N416 PolarHBondContact O-N 2.99Å; R413-Q417 VanDerWaalsContact O-CB 3.23Å; R413-Q417 WeakPolarHBondContact O-CB 3.49Å; R413-Q417 WeakPolarHBondContact O-CG 3.38Å; R413-Q417 PolarHBondContact O-N 3.06Å |
| 414 | L | 83.5 | Confident | 77.4 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.089 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 176.9 | -71.2 | 174.7 | 0 | 0 | 0 | 110.9 | K392 W393 L410 W411 N416 Q417 D418 | K392-L414 HydrophobicContact CB-CD1 4.46Å; W393-L414 HydrophobicContact CB-CD1 3.57Å; W393-L414 HydrophobicContact CG-CD1 4.21Å; L410-L414 HydrophobicContact CD1-CD1 4.34Å; L410-L414 HydrophobicContact CD1-CD2 4.36Å; L410-L414 HydrophobicContact CD1-CG 3.98Å; L410-L414 HydrophobicContact CD2-CD1 3.92Å; L410-L414 HydrophobicContact CD2-CG 4.46Å; L410-L414 HydrophobicContact CG-CD1 3.75Å; L410-L414 HydrophobicContact CG-CG 3.88Å; L410-L414 PolarHBondContact O-N 3.29Å; W411-L414 HydrophobicContact CE3-CB 4.38Å; W411-L414 PolarHBondContact O-N 2.96Å; L414-N416 VanDerWaalsContact C-N 3.34Å; L414-N416 PolarHBondContact O-N 3.39Å; L414-Q417 PolarHBondContact O-N 3.4Å; L414-D418 VanDerWaalsContact O-CB 3.31Å; L414-D418 WeakPolarHBondContact O-CB 3.39Å; L414-D418 PolarHBondContact O-N 3.27Å |
| 415 | R | 84.4 | Confident | 77.5 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.9 | 177 | -176.9 | -65.4 | 173.4 | -6.4 | 113 | W411 R413 Y419 G420 I421 | W411-R415 VanDerWaalsContact NE1-CZ 3.35Å; W411-R415 WeakPolarHBondContact O-CB 3.27Å; W411-R415 PolarHBondContact O-N 2.91Å; R413-R415 VanDerWaalsContact C-N 3.35Å; R413-R415 PolarHBondContact O-N 3.02Å; R415-Y419 VanDerWaalsContact CA-CE1 3.45Å; R415-Y419 HydrophobicContact CB-CE1 3.89Å; R415-Y419 HydrophobicContact CG-CE1 3.81Å; R415-Y419 HydrophobicContact CG-CE2 4.03Å; R415-Y419 VanDerWaalsContact CG-CZ 3.48Å; R415-Y419 WeakPolarHBondContact CG-OH 3.45Å; R415-Y419 PolarHBondContact NE-OH 3.39Å; R415-Y419 PolarHBondContact O-N 2.95Å; R415-G420 PolarHBondContact O-N 3.3Å; R415-G420 VanDerWaalsContact O-N 3.08Å; R415-I421 CarbonylContact C-O 3.6Å; R415-I421 HydrophobicContact CG-CB 3.82Å; R415-I421 HydrophobicContact CG-CG2 4.22Å; R415-I421 WeakPolarHBondContact CG-O 3.47Å; R415-I421 PolarHBondContact O-N 3.4Å |
| 416 | N | 82 | Confident | 77.3 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.5 | -46.7 | 175.3 | -177.5 | 1.4 | 0 | 0 | 0 | 110.4 | T195 P412 R413 L414 G420 I421 T422 W542 | T195-N416 WeakPolarHBondContact CG2-OD1 3.43Å; P412-N416 VanDerWaalsContact O-CB 3.26Å; P412-N416 WeakPolarHBondContact O-CB 3.48Å; P412-N416 PolarHBondContact O-N 3.34Å; R413-N416 PolarHBondContact O-N 2.99Å; L414-N416 VanDerWaalsContact C-N 3.34Å; L414-N416 PolarHBondContact O-N 3.39Å; N416-G420 WeakPolarHBondContact O-CA 3.15Å; N416-G420 PolarHBondContact O-N 2.93Å; N416-I421 WeakPolarHBondContact CA-O 3.27Å; N416-I421 PolarHBondContact N-O 3.32Å; N416-T422 HydrophobicContact CB-CG2 4.25Å; N416-W542 PolarHBondContact O-NE1 3.17Å |
| 417 | Q | 81.9 | Confident | 76.5 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -70.8 | -58.2 | -175.3 | -73.7 | 174.7 | -17.9 | 0 | 0 | 112.7 | R413 L414 Y419 W542 Y544 | R413-Q417 VanDerWaalsContact O-CB 3.23Å; R413-Q417 WeakPolarHBondContact O-CB 3.49Å; R413-Q417 WeakPolarHBondContact O-CG 3.38Å; R413-Q417 PolarHBondContact O-N 3.06Å; L414-Q417 PolarHBondContact O-N 3.4Å; Q417-Y419 PolarHBondContact O-N 2.71Å; Q417-W542 PolarHBondContact O-NE1 2.79Å; Q417-Y544 VanDerWaalsContact C-CD1 3.45Å; Q417-Y544 HydrophobicContact CB-CD1 3.73Å; Q417-Y544 HydrophobicContact CB-CD2 3.76Å; Q417-Y544 HydrophobicContact CB-CE1 4.05Å; Q417-Y544 HydrophobicContact CB-CE2 4.1Å; Q417-Y544 HydrophobicContact CB-CG 3.55Å; Q417-Y544 HydrophobicContact CG-CD1 4.45Å; Q417-Y544 HydrophobicContact CG-CD2 3.58Å; Q417-Y544 HydrophobicContact CG-CE2 4.07Å; Q417-Y544 HydrophobicContact CG-CG 3.78Å; Q417-Y544 WeakPolarHBondContact O-CD1 3.28Å |
| 418 | D | 83.4 | Confident | 75.6 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.8 | -35.2 | -170.6 | -71.6 | -42.8 | 0 | 0 | 0 | 112.4 | W166 H388 S389 K392 L414 | W166-D418 WeakPolarHBondContact CZ2-O 3.1Å; H388-D418 IonicContact CE1-OD1 3.87Å; S389-D418 WeakPolarHBondContact OG-CB 3.39Å; K392-D418 WeakPolarHBondContact CD-OD2 3.48Å; K392-D418 IonicContact NZ-OD1 3.52Å; K392-D418 PolarHBondContact NZ-OD1 3.43Å; L414-D418 VanDerWaalsContact O-CB 3.31Å; L414-D418 WeakPolarHBondContact O-CB 3.39Å; L414-D418 PolarHBondContact O-N 3.27Å |
| 419 | Y | 87.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -146.4 | 10.6 | -172.2 | 68.3 | -78.4 | 0 | 0 | 0 | 117.2 | Y173 A385 S389 R415 Q417 I421 W542 | Y173-Y419 PolarHBondContact OH-O 3.31Å; Y173-Y419 VanDerWaalsContact OH-O 3.13Å; A385-Y419 HydrophobicContact CB-CD2 4.39Å; A385-Y419 HydrophobicContact CB-CG 4.16Å; S389-Y419 WeakPolarHBondContact OG-CD1 3.46Å; S389-Y419 WeakPolarHBondContact OG-CE1 3.03Å; R415-Y419 VanDerWaalsContact CA-CE1 3.45Å; R415-Y419 HydrophobicContact CB-CE1 3.89Å; R415-Y419 HydrophobicContact CG-CE1 3.81Å; R415-Y419 HydrophobicContact CG-CE2 4.03Å; R415-Y419 VanDerWaalsContact CG-CZ 3.48Å; R415-Y419 WeakPolarHBondContact CG-OH 3.45Å; R415-Y419 PolarHBondContact NE-OH 3.39Å; R415-Y419 PolarHBondContact O-N 2.95Å; Q417-Y419 PolarHBondContact O-N 2.71Å; Y419-I421 HydrophobicContact CD2-CB 4.3Å; Y419-I421 HydrophobicContact CD2-CD1 3.56Å; Y419-I421 HydrophobicContact CD2-CG1 3.86Å; Y419-I421 HydrophobicContact CE2-CB 4.19Å; Y419-I421 HydrophobicContact CE2-CD1 3.59Å; Y419-I421 HydrophobicContact CE2-CG1 4.1Å; Y419-W542 VanDerWaalsContact C-CZ2 3.49Å |
| 420 | G | 87 | Confident | 73.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | 80.4 | 28.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | H177 T195 I196 R415 N416 W542 | H177-G420 PolarHBondContact NE2-O 3.25Å; H177-G420 VanDerWaalsContact NE2-O 3.12Å; T195-G420 WeakPolarHBondContact CA-O 3.44Å; T195-G420 WeakPolarHBondContact CB-O 3.45Å; I196-G420 PolarHBondContact N-O 3.18Å; R415-G420 PolarHBondContact O-N 3.3Å; R415-G420 VanDerWaalsContact O-N 3.08Å; N416-G420 WeakPolarHBondContact O-CA 3.15Å; N416-G420 PolarHBondContact O-N 2.93Å; G420-W542 VanDerWaalsContact CA-CE2 3.4Å; G420-W542 VanDerWaalsContact CA-NE1 3.29Å; G420-W542 VanDerWaalsContact N-CD1 3.29Å | ||
| 421 | I | 87.7 | Confident | 72.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.4 | -178.6 | -59.6 | -176.2 | 0 | 0 | 0 | 109.2 | I196 I198 F201 S206 W209 R415 N416 Y419 | I196-I421 CarbonylContact O-C 3.42Å; I196-I421 VanDerWaalsContact O-CA 3.27Å; I196-I421 WeakPolarHBondContact O-CA 3.35Å; I198-I421 HydrophobicContact CB-CG2 3.63Å; I198-I421 HydrophobicContact CG1-CG2 4.14Å; F201-I421 HydrophobicContact CD2-CD1 3.99Å; F201-I421 HydrophobicContact CD2-CG2 4.47Å; F201-I421 HydrophobicContact CE2-CB 4.47Å; F201-I421 HydrophobicContact CE2-CD1 3.36Å; F201-I421 HydrophobicContact CE2-CG1 3.69Å; F201-I421 HydrophobicContact CE2-CG2 4.01Å; F201-I421 HydrophobicContact CZ-CD1 3.72Å; F201-I421 HydrophobicContact CZ-CG1 4.05Å; S206-I421 WeakPolarHBondContact OG-CD1 3.18Å; W209-I421 HydrophobicContact CZ2-CD1 4.1Å; R415-I421 CarbonylContact C-O 3.6Å; R415-I421 HydrophobicContact CG-CB 3.82Å; R415-I421 HydrophobicContact CG-CG2 4.22Å; R415-I421 WeakPolarHBondContact CG-O 3.47Å; R415-I421 PolarHBondContact O-N 3.4Å; N416-I421 WeakPolarHBondContact CA-O 3.27Å; N416-I421 PolarHBondContact N-O 3.32Å; Y419-I421 HydrophobicContact CD2-CB 4.3Å; Y419-I421 HydrophobicContact CD2-CD1 3.56Å; Y419-I421 HydrophobicContact CD2-CG1 3.86Å; Y419-I421 HydrophobicContact CE2-CB 4.19Å; Y419-I421 HydrophobicContact CE2-CD1 3.59Å; Y419-I421 HydrophobicContact CE2-CG1 4.1Å |
| 422 | T | 82.1 | Confident | 71.3 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 16% | 0.16 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.2 | -178.9 | 39 | 0 | 0 | 0 | 0 | 111.3 | T195 I196 E197 I198 N416 | T195-T422 HydrophobicContact CG2-CG2 3.84Å; T195-T422 WeakPolarHBondContact OG1-CG2 2.92Å; T195-T422 PolarHBondContact OG1-OG1 2.83Å; I196-T422 PolarHBondContact O-N 3.44Å; I196-T422 PolarHBondContact O-OG1 3.42Å; E197-T422 CarbonylContact C-O 3.19Å; E197-T422 VanDerWaalsContact CA-O 3.31Å; E197-T422 WeakPolarHBondContact CA-O 3.28Å; I198-T422 PolarHBondContact N-O 3.38Å; N416-T422 HydrophobicContact CB-CG2 4.25Å |
| 423 | P | 76.4 | Confident | 70.3 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | trans | -59.3 | 160.8 | 170.9 | -21.9 | 33.6 | 0 | 0 | 0 | 112.4 | W115 P412 | W115-P423 HydrophobicContact CH2-CB 4.43Å; W115-P423 HydrophobicContact CZ3-CB 4.33Å; P412-P423 HydrophobicContact CB-CG 4.31Å | ||
| 424 | P | 74.8 | Confident | 69.6 | Low | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -59.5 | 137.5 | 175.9 | -17.2 | 29.8 | 0 | 0 | 0 | 111.6 | A112 W115 L116 I198 H199 L426 S427 | A112-P424 HydrophobicContact CB-CB 4Å; A112-P424 HydrophobicContact CB-CG 4.39Å; W115-P424 HydrophobicContact CD2-CG 4.41Å; W115-P424 VanDerWaalsContact CE3-CD 3.49Å; W115-P424 HydrophobicContact CE3-CG 3.74Å; W115-P424 HydrophobicContact CZ3-CG 4.28Å; L116-P424 HydrophobicContact CD2-CG 4.38Å; L116-P424 HydrophobicContact CG-CG 4.35Å; I198-P424 HydrophobicContact CG2-CG 4.36Å; H199-P424 HydrophobicContact CB-CG 4.32Å; P424-L426 PolarHBondContact O-N 3.35Å; P424-L426 VanDerWaalsContact O-N 3.1Å; P424-S427 WeakPolarHBondContact O-CB 2.94Å; P424-S427 PolarHBondContact O-N 3.13Å; P424-S427 PolarHBondContact O-OG 3.32Å | ||
| 425 | K | 67.4 | Low | 69 | Low | 120 Ų | 120 | 45.3 Ų | 45.3 | 52% | 0.522 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.3 | -179.9 | -79.8 | 174.8 | -174.3 | 166.3 | 0 | 115 | E197 S427 | E197-K425 VanDerWaalsContact OE1-CD 3.28Å; E197-K425 WeakPolarHBondContact OE1-CD 3.26Å; E197-K425 WeakPolarHBondContact OE1-CE 3.39Å; E197-K425 WeakPolarHBondContact OE1-CG 3.29Å; E197-K425 IonicContact OE1-NZ 2.8Å; E197-K425 PolarHBondContact OE2-N 2.89Å; E197-K425 VanDerWaalsContact OE2-N 3.15Å; K425-S427 PolarHBondContact O-N 2.61Å; K425-S427 VanDerWaalsContact O-N 3.14Å |
| 426 | L | 57 | Low | 68.7 | Low | 119 Ų | 119 | 45.2 Ų | 45.2 | 62% | 0.623 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -10.7 | 177.5 | -72.1 | 164.3 | 0 | 0 | 0 | 113.4 | A112 L116 P424 N428 | A112-L426 HydrophobicContact CB-CD1 4.29Å; L116-L426 HydrophobicContact CD1-CB 4.06Å; P424-L426 PolarHBondContact O-N 3.35Å; P424-L426 VanDerWaalsContact O-N 3.1Å; L426-N428 PolarHBondContact O-N 2.99Å |
| 427 | S | 53.8 | Low | 68.8 | Low | 32 Ų | 32 | 42.6 Ų | 42.6 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -71.2 | 93 | 164.5 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | P424 K425 G429 | P424-S427 WeakPolarHBondContact O-CB 2.94Å; P424-S427 PolarHBondContact O-N 3.13Å; P424-S427 PolarHBondContact O-OG 3.32Å; K425-S427 PolarHBondContact O-N 2.61Å; K425-S427 VanDerWaalsContact O-N 3.14Å; S427-G429 PolarHBondContact O-N 3.4Å |
| 428 | N | 47.2 | Very low | 68.4 | Low | 151 Ų | 151 | 42.8 Ų | 42.8 | 81% | 0.807 | 25% | 0.249 | S | C | * | . | trans | -64 | 58.7 | 174.9 | -88.1 | -13.3 | 0 | 0 | 0 | 112.2 | L426 N430 | L426-N428 PolarHBondContact O-N 2.99Å; N428-N430 PolarHBondContact O-N 2.57Å; N428-N430 VanDerWaalsContact O-N 3.15Å | ||
| 429 | G | 48.9 | Very low | 68 | Low | 72 Ų | 72 | 42.7 Ų | 42.7 | 74% | 0.742 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 74.6 | -6.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | S427 A431 | S427-G429 PolarHBondContact O-N 3.4Å; G429-A431 PolarHBondContact O-N 3Å |
| 430 | N | 48.2 | Very low | 67.5 | Low | 132 Ų | 132 | 42.9 Ų | 42.9 | 71% | 0.706 | 25% | 0.249 | S | C | * | . | trans | -68.2 | 105.7 | 175.9 | -74.6 | -8.3 | 0 | 0 | 0 | 109.6 | N428 I432 | N428-N430 PolarHBondContact O-N 2.57Å; N428-N430 VanDerWaalsContact O-N 3.15Å; N430-I432 PolarHBondContact O-N 2.82Å | ||
| 431 | A | 51.3 | Low | 66.7 | Low | 63 Ų | 63 | 43 Ų | 43 | 52% | 0.521 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -60.1 | 118.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G429 | G429-A431 PolarHBondContact O-N 3Š|
| 432 | I | 59.1 | Low | 65.7 | Low | 38 Ų | 38 | 43.7 Ų | 43.7 | 20% | 0.195 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -90 | 126.7 | 176.1 | -71.3 | 169.9 | 0 | 0 | 0 | 107.3 | W115 L116 N430 G434 | W115-I432 HydrophobicContact CE3-CD1 4.44Å; W115-I432 HydrophobicContact CH2-CD1 4.44Å; W115-I432 HydrophobicContact CH2-CG2 4.32Å; W115-I432 HydrophobicContact CZ3-CD1 3.72Å; L116-I432 HydrophobicContact CD2-CD1 3.41Å; L116-I432 VanDerWaalsContact CD2-CD1 3.41Å; N430-I432 PolarHBondContact O-N 2.82Å; I432-G434 PolarHBondContact O-N 2.66Å |
| 433 | F | 55 | Low | 65.3 | Low | 28 Ų | 28 | 43 Ų | 43 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 127.6 | -165.4 | -176.1 | -73.3 | 0 | 0 | 0 | 113.7 | N126 F129 L130 D408 S436 | N126-F433 HydrophobicContact CB-CB 4.4Å; N126-F433 HydrophobicContact CB-CD1 3.49Å; N126-F433 VanDerWaalsContact CB-CD1 3.49Å; N126-F433 HydrophobicContact CB-CD2 3.59Å; N126-F433 HydrophobicContact CB-CE1 3.51Å; N126-F433 HydrophobicContact CB-CE2 3.68Å; N126-F433 HydrophobicContact CB-CG 3.55Å; N126-F433 HydrophobicContact CB-CZ 3.64Å; N126-F433 WeakPolarHBondContact ND2-CB 3.33Å; N126-F433 WeakPolarHBondContact ND2-CD1 3.5Å; N126-F433 WeakPolarHBondContact ND2-CG 3.14Å; N126-F433 WeakPolarHBondContact OD1-CD1 3.44Å; N126-F433 WeakPolarHBondContact OD1-CE1 3.34Å; F129-F433 HydrophobicContact CD1-CE1 4.33Å; F129-F433 HydrophobicContact CD1-CZ 4.11Å; L130-F433 HydrophobicContact CD1-CE2 4.11Å; L130-F433 HydrophobicContact CD2-CE2 4.03Å; L130-F433 HydrophobicContact CD2-CZ 3.91Å; L130-F433 HydrophobicContact CG-CE2 4.08Å; L130-F433 HydrophobicContact CG-CZ 4.18Å; D408-F433 VanDerWaalsContact OD1-CA 3.22Å; D408-F433 WeakPolarHBondContact OD1-CA 3.39Å; D408-F433 WeakPolarHBondContact OD1-CB 3.32Å; D408-F433 WeakPolarHBondContact OD1-CD2 3.39Å; D408-F433 VanDerWaalsContact OD1-CE2 3.24Å; D408-F433 WeakPolarHBondContact OD1-CE2 3.2Å; D408-F433 WeakPolarHBondContact OD1-CG 3.16Å; D408-F433 WeakPolarHBondContact OD2-CD2 3.48Å; F433-S436 PolarHBondContact O-OG 3.39Å |
| 434 | G | 64 | Low | 65.2 | Low | 5 Ų | 5 | 46 Ų | 46 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 45.9 | -172.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | D408 I432 S436 | D408-G434 PolarHBondContact OD1-N 3.04Å; D408-G434 VanDerWaalsContact OD1-N 3.15Å; I432-G434 PolarHBondContact O-N 2.66Å; G434-S436 PolarHBondContact O-N 3.32Å |
| 435 | P | 70.6 | Confident | 65.4 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | trans | -66.9 | -16.4 | 177.4 | -11.7 | 21.8 | 0 | 0 | 0 | 114.5 | L390 W393 W411 H437 I440 | L390-P435 HydrophobicContact CD1-CB 3.6Å; L390-P435 HydrophobicContact CD1-CG 3.51Å; W393-P435 HydrophobicContact CD2-CG 3.67Å; W393-P435 HydrophobicContact CE3-CG 3.72Å; W393-P435 HydrophobicContact CG-CG 4.06Å; W393-P435 HydrophobicContact CH2-CG 4.43Å; W393-P435 HydrophobicContact CZ2-CG 4.43Å; W393-P435 HydrophobicContact CZ3-CG 4.12Å; W411-P435 HydrophobicContact CB-CG 4.49Å; W411-P435 HydrophobicContact CD2-CB 3.74Å; W411-P435 HydrophobicContact CD2-CG 3.53Å; W411-P435 VanDerWaalsContact CE2-CA 3.48Å; W411-P435 HydrophobicContact CE3-CB 4.03Å; W411-P435 HydrophobicContact CE3-CG 3.55Å; W411-P435 HydrophobicContact CG-CB 4.29Å; W411-P435 HydrophobicContact CG-CG 3.95Å; W411-P435 HydrophobicContact CH2-CB 3.89Å; W411-P435 HydrophobicContact CH2-CG 4.24Å; W411-P435 HydrophobicContact CZ2-CB 3.63Å; W411-P435 HydrophobicContact CZ2-CG 4.27Å; W411-P435 HydrophobicContact CZ3-CB 4.09Å; W411-P435 HydrophobicContact CZ3-CG 3.9Å; P435-H437 PolarHBondContact O-N 3.02Å; P435-I440 HydrophobicContact CB-CD1 3.6Å; P435-I440 HydrophobicContact CG-CD1 3.49Å; P435-I440 VanDerWaalsContact CG-CD1 3.49Å | ||
| 436 | S | 77.6 | Confident | 66.2 | Low | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | trans | 51.8 | 32.3 | 177.2 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | Y77 W118 L122 W205 F433 G434 | Y77-S436 WeakPolarHBondContact CE2-O 3.24Å; Y77-S436 PolarHBondContact OH-O 3.34Å; W118-S436 WeakPolarHBondContact CH2-O 2.98Å; L122-S436 VanDerWaalsContact CD1-CB 3.46Å; L122-S436 WeakPolarHBondContact CD1-OG 3.34Å; W205-S436 PolarHBondContact NE1-O 3.02Å; F433-S436 PolarHBondContact O-OG 3.39Å; G434-S436 PolarHBondContact O-N 3.32Å | ||
| 437 | H | 83.6 | Confident | 67.6 | Low | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -101.2 | 146.1 | -177 | -167.9 | -95.7 | 0 | 0 | 0 | 111 | W205 E207 F386 Y387 L390 P435 L439 I440 Y441 | W205-H437 AromaticContact CD1-CD2 3.97Å; W205-H437 AromaticContact CD2-CD2 3.92Å; W205-H437 AromaticContact CE2-CD2 3.96Å; W205-H437 AromaticContact CG-CD2 3.98Å; W205-H437 AromaticContact NE1-CD2 3.94Å; E207-H437 IonicContact OE2-NE2 3.29Å; F386-H437 HydrophobicContact CE1-CB 4.43Å; F386-H437 AromaticContact CE1-CD2 3.45Å; F386-H437 VanDerWaalsContact CE1-CD2 3.45Å; F386-H437 WeakPolarHBondContact CE1-CD2 3.42Å; F386-H437 AromaticContact CE1-CG 3.84Å; F386-H437 AromaticContact CE1-NE2 3.81Å; F386-H437 HydrophobicContact CZ-CB 3.93Å; F386-H437 AromaticContact CZ-CD2 3.52Å; F386-H437 AromaticContact CZ-CG 3.79Å; Y387-H437 AromaticContact CE1-CE1 3.87Å; L390-H437 HydrophobicContact CD2-CB 4.33Å; P435-H437 PolarHBondContact O-N 3.02Å; H437-L439 VanDerWaalsContact C-N 3.26Å; H437-L439 VanDerWaalsContact CE1-CD1 3.43Å; H437-L439 WeakPolarHBondContact CE1-CD1 3.1Å; H437-L439 WeakPolarHBondContact ND1-CD1 3.41Å; H437-L439 WeakPolarHBondContact ND1-CG 3.36Å; H437-L439 PolarHBondContact ND1-N 3.38Å; H437-L439 PolarHBondContact O-N 2.88Å; H437-I440 HydrophobicContact CB-CD1 4.42Å; H437-I440 WeakPolarHBondContact O-CB 3.32Å; H437-I440 PolarHBondContact O-N 3.46Å; H437-I440 VanDerWaalsContact O-N 3.09Å; H437-Y441 VanDerWaalsContact O-CD2 3.31Å; H437-Y441 WeakPolarHBondContact O-CD2 3.29Å; H437-Y441 WeakPolarHBondContact O-CE2 3.49Å | ||
| 438 | Y | 73.2 | Confident | 69 | Low | 69 Ų | 69 | 34.8 Ų | 34.8 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.8 | -32.8 | -173.8 | 71.2 | -93.3 | 0 | 0 | 0 | 113.8 | Y77 I440 Y441 A442 | Y77-Y438 PolarHBondContact OH-N 3.26Å; Y438-I440 PolarHBondContact O-N 2.76Å; Y438-Y441 PolarHBondContact O-N 2.87Å; Y438-A442 PolarHBondContact O-N 2.85Å |
| 439 | L | 76.2 | Confident | 70.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.5 | -32.8 | 177.6 | -65.9 | 168.3 | 0 | 0 | 0 | 113.1 | Y387 L390 H437 A442 N443 E444 L449 | Y387-L439 HydrophobicContact CD1-CD1 4.18Å; Y387-L439 HydrophobicContact CE1-CD1 3.74Å; L390-L439 HydrophobicContact CD2-CD1 4.04Å; H437-L439 VanDerWaalsContact C-N 3.26Å; H437-L439 VanDerWaalsContact CE1-CD1 3.43Å; H437-L439 WeakPolarHBondContact CE1-CD1 3.1Å; H437-L439 WeakPolarHBondContact ND1-CD1 3.41Å; H437-L439 WeakPolarHBondContact ND1-CG 3.36Å; H437-L439 PolarHBondContact ND1-N 3.38Å; H437-L439 PolarHBondContact O-N 2.88Å; L439-A442 PolarHBondContact O-N 2.85Å; L439-N443 PolarHBondContact O-N 3.11Å; L439-N443 VanDerWaalsContact O-N 3.08Å; L439-E444 HydrophobicContact CB-CB 4.47Å; L439-E444 HydrophobicContact CD2-CB 3.87Å; L439-E444 WeakPolarHBondContact CD2-OE2 3.49Å; L439-E444 PolarHBondContact O-N 3.1Å; L439-L449 HydrophobicContact CD1-CD1 3.58Å; L439-L449 HydrophobicContact CD2-CD1 3.96Å; L439-L449 HydrophobicContact CG-CD1 4.33Å |
| 440 | I | 76.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -50.2 | 178.8 | -61 | 174.8 | 0 | 0 | 0 | 109.5 | F129 L390 W393 P435 H437 Y438 A442 N443 | F129-I440 HydrophobicContact CD1-CG2 4.29Å; F129-I440 HydrophobicContact CD2-CG2 3.63Å; F129-I440 HydrophobicContact CE1-CG2 4.03Å; F129-I440 HydrophobicContact CE2-CG2 3.34Å; F129-I440 HydrophobicContact CG-CG2 4.09Å; F129-I440 HydrophobicContact CZ-CG2 3.55Å; L390-I440 HydrophobicContact CD1-CD1 3.92Å; L390-I440 HydrophobicContact CD1-CG1 4Å; W393-I440 HydrophobicContact CE3-CD1 4.4Å; W393-I440 HydrophobicContact CH2-CD1 4.21Å; W393-I440 HydrophobicContact CH2-CG2 4.34Å; W393-I440 HydrophobicContact CZ3-CD1 3.79Å; W393-I440 HydrophobicContact CZ3-CG1 4.15Å; W393-I440 HydrophobicContact CZ3-CG2 4.16Å; P435-I440 HydrophobicContact CB-CD1 3.6Å; P435-I440 HydrophobicContact CG-CD1 3.49Å; P435-I440 VanDerWaalsContact CG-CD1 3.49Å; H437-I440 HydrophobicContact CB-CD1 4.42Å; H437-I440 WeakPolarHBondContact O-CB 3.32Å; H437-I440 PolarHBondContact O-N 3.46Å; H437-I440 VanDerWaalsContact O-N 3.09Å; Y438-I440 PolarHBondContact O-N 2.76Å; I440-A442 VanDerWaalsContact C-N 3.26Å; I440-A442 PolarHBondContact O-N 3.44Å; I440-N443 PolarHBondContact O-N 3.21Å |
| 441 | Y | 71.5 | Confident | 74.8 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.6 | -25 | -179.7 | -52 | -70.9 | 0 | 0 | 0 | 112 | M73 I74 Y77 A125 N126 H437 Y438 N443 | M73-Y441 HydrophobicContact CB-CD1 4.1Å; I74-Y441 WeakPolarHBondContact CG1-O 3.39Å; Y77-Y441 HydrophobicContact CD1-CD2 4.32Å; Y77-Y441 AromaticContact CD2-CD2 3.25Å; Y77-Y441 HydrophobicContact CD2-CD2 3.25Å; Y77-Y441 AromaticContact CD2-CE2 3.03Å; Y77-Y441 HydrophobicContact CD2-CE2 3.03Å; Y77-Y441 HydrophobicContact CD2-CG 4.19Å; Y77-Y441 AromaticContact CD2-CZ 3.81Å; Y77-Y441 AromaticContact CE2-CD2 3.72Å; Y77-Y441 HydrophobicContact CE2-CD2 3.72Å; Y77-Y441 AromaticContact CE2-CE2 3.33Å; Y77-Y441 HydrophobicContact CE2-CE2 3.33Å; Y77-Y441 AromaticContact CG-CD2 3.57Å; Y77-Y441 HydrophobicContact CG-CD2 3.57Å; Y77-Y441 AromaticContact CG-CE2 3.86Å; Y77-Y441 HydrophobicContact CG-CE2 3.86Å; Y77-Y441 HydrophobicContact CG-CG 4.22Å; A125-Y441 HydrophobicContact CB-CD1 4Å; A125-Y441 HydrophobicContact CB-CE1 3.54Å; N126-Y441 PolarHBondContact OD1-OH 3.29Å; H437-Y441 VanDerWaalsContact O-CD2 3.31Å; H437-Y441 WeakPolarHBondContact O-CD2 3.29Å; H437-Y441 WeakPolarHBondContact O-CE2 3.49Å; Y438-Y441 PolarHBondContact O-N 2.87Å; Y441-N443 VanDerWaalsContact C-N 3.28Å |
| 442 | A | 66.4 | Low | 76.5 | Confident | 16 Ų | 16 | 16.5 Ų | 16.5 | 13% | 0.132 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.3 | -11.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K70 Y438 L439 I440 E444 | K70-A442 WeakPolarHBondContact CE-O 3.02Å; Y438-A442 PolarHBondContact O-N 2.85Å; L439-A442 PolarHBondContact O-N 2.85Å; I440-A442 VanDerWaalsContact C-N 3.26Å; I440-A442 PolarHBondContact O-N 3.44Å; A442-E444 VanDerWaalsContact C-N 3.26Å; A442-E444 HydrophobicContact CB-CB 4.43Å; A442-E444 HydrophobicContact CB-CG 3.91Å; A442-E444 PolarHBondContact O-N 3.24Å |
| 443 | N | 72.3 | Confident | 78 | Confident | 10 Ų | 10 | 15.3 Ų | 15.3 | 5% | 0.053 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 43.9 | -168.6 | -169.7 | 44.4 | 0 | 0 | 0 | 112.4 | F132 Y145 W149 Y398 L439 I440 Y441 | F132-N443 HydrophobicContact CE1-CB 4.17Å; F132-N443 HydrophobicContact CZ-CB 4.08Å; F132-N443 WeakPolarHBondContact CZ-ND2 3.47Å; Y145-N443 PolarHBondContact OH-ND2 3.36Å; W149-N443 WeakPolarHBondContact CZ2-OD1 3.41Å; Y398-N443 PolarHBondContact OH-OD1 2.86Å; L439-N443 PolarHBondContact O-N 3.11Å; L439-N443 VanDerWaalsContact O-N 3.08Å; I440-N443 PolarHBondContact O-N 3.21Å; Y441-N443 VanDerWaalsContact C-N 3.28Å |
| 444 | E | 74.7 | Confident | 79.8 | Confident | 99 Ų | 99 | 14 Ų | 14 | 46% | 0.463 | 7% | 0.072 | S | C | . | . | trans | -102.4 | 135 | 176.2 | -71.5 | 179.8 | -177.9 | 0 | 0 | 110 | Q394 L439 A442 | Q394-E444 PolarHBondContact NE2-O 3.37Å; L439-E444 HydrophobicContact CB-CB 4.47Å; L439-E444 HydrophobicContact CD2-CB 3.87Å; L439-E444 WeakPolarHBondContact CD2-OE2 3.49Å; L439-E444 PolarHBondContact O-N 3.1Å; A442-E444 VanDerWaalsContact C-N 3.26Å; A442-E444 HydrophobicContact CB-CB 4.43Å; A442-E444 HydrophobicContact CB-CG 3.91Å; A442-E444 PolarHBondContact O-N 3.24Å | ||
| 445 | P | 79.2 | Confident | 81 | Confident | 23 Ų | 23 | 13.7 Ų | 13.7 | 15% | 0.149 | 7% | 0.07 | C | C | . | . | trans | -66.6 | 144.9 | 173.7 | 27.4 | -32.7 | 0 | 0 | 0 | 110.7 | W149 Y447 P448 | W149-P445 HydrophobicContact CD2-CB 3.83Å; W149-P445 HydrophobicContact CD2-CG 4.37Å; W149-P445 HydrophobicContact CE3-CB 3.71Å; W149-P445 HydrophobicContact CG-CB 4.27Å; W149-P445 HydrophobicContact CH2-CB 4.4Å; W149-P445 HydrophobicContact CZ3-CB 3.99Å; P445-Y447 HydrophobicContact CB-CD1 3.51Å; P445-Y447 HydrophobicContact CB-CE1 3.34Å; P445-Y447 HydrophobicContact CG-CD1 4.17Å; P445-Y447 HydrophobicContact CG-CE1 3.58Å; P445-P448 HydrophobicContact CG-CG 4.1Å; P445-P448 WeakPolarHBondContact O-CD 3.28Å | ||
| 446 | A | 85.2 | Confident | 82 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -79.6 | -23.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | L390 N391 L449 L450 | L390-A446 HydrophobicContact CB-CB 4.05Å; L390-A446 HydrophobicContact CD2-CB 3.81Å; L390-A446 HydrophobicContact CG-CB 3.76Å; N391-A446 HydrophobicContact CB-CB 4.01Å; A446-L449 PolarHBondContact O-N 3.44Å; A446-L450 PolarHBondContact O-N 3.45Å |
| 447 | Y | 86 | Confident | 82.7 | Confident | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.7 | -38.9 | -176.4 | 74.1 | -95.3 | 0 | 0 | 0 | 115.1 | W149 Y153 L158 N391 P445 L449 L450 F451 | W149-Y447 HydrophobicContact CB-CE1 4.28Å; W149-Y447 PolarHBondContact O-OH 3.08Å; Y153-Y447 HydrophobicContact CD2-CD2 4.25Å; Y153-Y447 AromaticContact CD2-CE2 3.95Å; Y153-Y447 HydrophobicContact CD2-CE2 3.95Å; Y153-Y447 HydrophobicContact CG-CE2 4.43Å; L158-Y447 HydrophobicContact CD1-CD1 4.19Å; L158-Y447 HydrophobicContact CD1-CD2 3.53Å; L158-Y447 HydrophobicContact CD1-CE2 4.13Å; L158-Y447 HydrophobicContact CD1-CG 3.6Å; L158-Y447 HydrophobicContact CD2-CD1 3.6Å; L158-Y447 HydrophobicContact CD2-CD2 4.26Å; L158-Y447 HydrophobicContact CD2-CE1 3.76Å; L158-Y447 HydrophobicContact CD2-CE2 4.4Å; L158-Y447 HydrophobicContact CD2-CG 3.91Å; L158-Y447 HydrophobicContact CG-CD1 4.48Å; L158-Y447 HydrophobicContact CG-CG 4.34Å; N391-Y447 PolarHBondContact OD1-N 2.9Å; P445-Y447 HydrophobicContact CB-CD1 3.51Å; P445-Y447 HydrophobicContact CB-CE1 3.34Å; P445-Y447 HydrophobicContact CG-CD1 4.17Å; P445-Y447 HydrophobicContact CG-CE1 3.58Å; Y447-L449 VanDerWaalsContact C-N 3.32Å; Y447-L449 PolarHBondContact O-N 2.86Å; Y447-L450 WeakPolarHBondContact O-CB 3.44Å; Y447-L450 PolarHBondContact O-N 3.12Å; Y447-L450 VanDerWaalsContact O-N 3.11Å; Y447-F451 AromaticContact CD2-CD2 3.9Å; Y447-F451 HydrophobicContact CD2-CD2 3.9Å; Y447-F451 AromaticContact CD2-CE2 3.99Å; Y447-F451 HydrophobicContact CD2-CE2 3.99Å; Y447-F451 HydrophobicContact CG-CE2 4.48Å; Y447-F451 WeakPolarHBondContact O-CD2 3.41Å; Y447-F451 PolarHBondContact O-N 3.13Å |
| 448 | P | 83.3 | Confident | 83.1 | Confident | 13 Ų | 13 | 14 Ų | 14 | 8% | 0.084 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | -177.3 | -23.2 | 35.2 | 0 | 0 | 0 | 112.8 | F334 P445 L450 F451 A452 | F334-P448 HydrophobicContact CB-CB 4.32Å; F334-P448 WeakPolarHBondContact CB-O 3.23Å; P445-P448 HydrophobicContact CG-CG 4.1Å; P445-P448 WeakPolarHBondContact O-CD 3.28Å; P448-L450 VanDerWaalsContact C-N 3.33Å; P448-L450 PolarHBondContact O-N 3.43Å; P448-F451 PolarHBondContact O-N 3.09Å; P448-A452 WeakPolarHBondContact O-CB 3.47Å; P448-A452 PolarHBondContact O-N 3.03Å |
| 449 | L | 85.6 | Confident | 83.9 | Confident | 26 Ų | 26 | 10.7 Ų | 10.7 | 14% | 0.136 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69.3 | -32.7 | 178.1 | -67.3 | 175.1 | 0 | 0 | 0 | 112.2 | Y387 L439 A446 Y447 E453 | Y387-L449 HydrophobicContact CD2-CB 3.85Å; Y387-L449 HydrophobicContact CE1-CD1 4.09Å; Y387-L449 HydrophobicContact CE2-CB 3.76Å; Y387-L449 HydrophobicContact CE2-CD1 4.17Å; Y387-L449 HydrophobicContact CG-CB 4.35Å; L439-L449 HydrophobicContact CD1-CD1 3.58Å; L439-L449 HydrophobicContact CD2-CD1 3.96Å; L439-L449 HydrophobicContact CG-CD1 4.33Å; A446-L449 PolarHBondContact O-N 3.44Å; Y447-L449 VanDerWaalsContact C-N 3.32Å; Y447-L449 PolarHBondContact O-N 2.86Å; L449-E453 PolarHBondContact O-N 2.89Å |
| 450 | L | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64 | -50.6 | 171.4 | 178.9 | 151.7 | 0 | 0 | 0 | 111 | V162 L165 I384 H388 A446 Y447 P448 A452 E453 F454 | V162-L450 HydrophobicContact CG1-CD1 3.92Å; V162-L450 HydrophobicContact CG1-CD2 4.42Å; V162-L450 HydrophobicContact CG2-CD2 4.4Å; L165-L450 HydrophobicContact CD1-CD2 4.08Å; I384-L450 HydrophobicContact CG2-CG 4.46Å; H388-L450 HydrophobicContact CB-CD1 3.65Å; A446-L450 PolarHBondContact O-N 3.45Å; Y447-L450 WeakPolarHBondContact O-CB 3.44Å; Y447-L450 PolarHBondContact O-N 3.12Å; Y447-L450 VanDerWaalsContact O-N 3.11Å; P448-L450 VanDerWaalsContact C-N 3.33Å; P448-L450 PolarHBondContact O-N 3.43Å; L450-A452 VanDerWaalsContact C-N 3.3Å; L450-A452 PolarHBondContact O-N 3.46Å; L450-E453 PolarHBondContact O-N 3.41Å; L450-F454 HydrophobicContact CD2-CD2 4.04Å; L450-F454 HydrophobicContact CD2-CE2 3.98Å; L450-F454 HydrophobicContact CG-CE2 4.27Å; L450-F454 WeakPolarHBondContact O-CD2 3.46Å; L450-F454 PolarHBondContact O-N 2.94Å |
| 451 | F | 89.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 10.8 Ų | 10.8 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 179.4 | -79.9 | -75.9 | 0 | 0 | 0 | 112.3 | Y153 L158 D161 V162 L165 F334 Y447 P448 E453 F454 L455 V513 | Y153-F451 HydrophobicContact CD2-CE2 4.41Å; Y153-F451 HydrophobicContact CE1-CZ 4.4Å; Y153-F451 HydrophobicContact CE2-CD2 4.11Å; Y153-F451 HydrophobicContact CE2-CE1 4.15Å; Y153-F451 AromaticContact CE2-CE2 3.72Å; Y153-F451 HydrophobicContact CE2-CE2 3.72Å; Y153-F451 AromaticContact CE2-CZ 3.74Å; Y153-F451 HydrophobicContact CE2-CZ 3.74Å; Y153-F451 AromaticContact CZ-CE1 3.94Å; Y153-F451 AromaticContact CZ-CE2 3.97Å; Y153-F451 AromaticContact CZ-CZ 3.53Å; Y153-F451 WeakPolarHBondContact OH-CE1 3.45Å; Y153-F451 WeakPolarHBondContact OH-CZ 3.48Å; L158-F451 HydrophobicContact CD1-CE2 3.53Å; L158-F451 HydrophobicContact CD1-CZ 4.08Å; D161-F451 HydrophobicContact CB-CE1 4.08Å; D161-F451 HydrophobicContact CB-CZ 3.8Å; V162-F451 HydrophobicContact CG2-CD2 4.46Å; V162-F451 HydrophobicContact CG2-CE2 3.44Å; V162-F451 VanDerWaalsContact CG2-CE2 3.44Å; V162-F451 HydrophobicContact CG2-CZ 3.69Å; L165-F451 HydrophobicContact CD1-CD1 3.54Å; L165-F451 HydrophobicContact CD1-CE1 3.36Å; L165-F451 HydrophobicContact CD1-CZ 4.22Å; F334-F451 HydrophobicContact CB-CB 4.04Å; F334-F451 HydrophobicContact CD2-CB 4.2Å; F334-F451 HydrophobicContact CG-CB 4.07Å; Y447-F451 AromaticContact CD2-CD2 3.9Å; Y447-F451 HydrophobicContact CD2-CD2 3.9Å; Y447-F451 AromaticContact CD2-CE2 3.99Å; Y447-F451 HydrophobicContact CD2-CE2 3.99Å; Y447-F451 HydrophobicContact CG-CE2 4.48Å; Y447-F451 WeakPolarHBondContact O-CD2 3.41Å; Y447-F451 PolarHBondContact O-N 3.13Å; P448-F451 PolarHBondContact O-N 3.09Å; F451-E453 VanDerWaalsContact C-N 3.26Å; F451-E453 PolarHBondContact O-N 3.44Å; F451-F454 PolarHBondContact O-N 3.02Å; F451-L455 WeakPolarHBondContact O-CB 3.33Å; F451-L455 PolarHBondContact O-N 3.12Å; F451-V513 HydrophobicContact CD1-CB 3.85Å; F451-V513 HydrophobicContact CD1-CG1 4.21Å; F451-V513 HydrophobicContact CD1-CG2 3.8Å; F451-V513 HydrophobicContact CE1-CB 4.35Å |
| 452 | A | 87.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 11.4 Ų | 11.4 | 5% | 0.05 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.6 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F334 D337 P448 L450 F454 L455 R456 | F334-A452 HydrophobicContact CB-CB 4.17Å; F334-A452 WeakPolarHBondContact O-CB 3.15Å; D337-A452 HydrophobicContact CB-CB 3.46Å; D337-A452 VanDerWaalsContact CB-CB 3.46Å; P448-A452 WeakPolarHBondContact O-CB 3.47Å; P448-A452 PolarHBondContact O-N 3.03Å; L450-A452 VanDerWaalsContact C-N 3.3Å; L450-A452 PolarHBondContact O-N 3.46Å; A452-F454 PolarHBondContact O-N 3.04Å; A452-L455 PolarHBondContact O-N 2.89Å; A452-R456 WeakPolarHBondContact O-CB 3.21Å; A452-R456 PolarHBondContact O-N 3.34Å |
| 453 | E | 91.1 | Very high | 87.5 | Confident | 13 Ų | 13 | 10.6 Ų | 10.6 | 6% | 0.061 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.5 | -33 | -177.3 | -168.7 | 64.1 | -168.1 | 0 | 0 | 112.7 | S380 R383 I384 L449 L450 F451 R456 F457 | S380-E453 VanDerWaalsContact CA-OE1 3.27Å; S380-E453 WeakPolarHBondContact CA-OE1 3.02Å; S380-E453 WeakPolarHBondContact CB-OE1 2.89Å; S380-E453 PolarHBondContact OG-OE1 3.46Å; R383-E453 IonicContact NH1-OE2 2.77Å; I384-E453 HydrophobicContact CD1-CB 4.35Å; I384-E453 HydrophobicContact CD1-CG 3.68Å; I384-E453 HydrophobicContact CG1-CB 3.95Å; I384-E453 HydrophobicContact CG1-CG 3.45Å; I384-E453 VanDerWaalsContact CG1-CG 3.45Å; L449-E453 PolarHBondContact O-N 2.89Å; L450-E453 PolarHBondContact O-N 3.41Å; F451-E453 VanDerWaalsContact C-N 3.26Å; F451-E453 PolarHBondContact O-N 3.44Å; E453-R456 VanDerWaalsContact O-CG 3.32Å; E453-R456 WeakPolarHBondContact O-CG 3.39Å; E453-R456 IonicContact OE1-CZ 3.94Å; E453-R456 IonicContact OE1-NE 3.85Å; E453-R456 PolarHBondContact OE1-NE 3.3Å; E453-R456 IonicContact OE1-NH1 3.75Å; E453-R456 PolarHBondContact OE1-NH1 3.47Å; E453-R456 IonicContact OE1-NH2 2.86Å; E453-R456 PolarHBondContact OE1-NH2 3.44Å; E453-R456 IonicContact OE2-CZ 2.67Å; E453-R456 IonicContact OE2-NE 2.8Å; E453-R456 IonicContact OE2-NH1 3.68Å; E453-R456 PolarHBondContact OE2-NH1 2.86Å; E453-F457 WeakPolarHBondContact O-CD2 3.32Å; E453-F457 WeakPolarHBondContact O-CE2 3.02Å |
| 454 | F | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -75.6 | -48.5 | 170.2 | -76.8 | -81 | 0 | 0 | 0 | 112 | L165 L169 I384 L450 F451 A452 R456 F457 D458 V513 A515 L518 | L165-F454 HydrophobicContact CB-CD2 4.05Å; L165-F454 HydrophobicContact CB-CE1 4.25Å; L165-F454 HydrophobicContact CB-CE2 3.64Å; L165-F454 HydrophobicContact CB-CZ 3.74Å; L165-F454 HydrophobicContact CD1-CD2 3.9Å; L165-F454 HydrophobicContact CD1-CE2 4.31Å; L165-F454 HydrophobicContact CD1-CG 4.25Å; L165-F454 HydrophobicContact CD2-CB 4.43Å; L165-F454 HydrophobicContact CD2-CD1 3.97Å; L165-F454 HydrophobicContact CD2-CD2 4.29Å; L165-F454 HydrophobicContact CD2-CE1 4.24Å; L165-F454 HydrophobicContact CD2-CG 3.98Å; L165-F454 HydrophobicContact CG-CD2 4.32Å; L165-F454 HydrophobicContact CG-CE2 4.4Å; L165-F454 HydrophobicContact CG-CG 4.5Å; L165-F454 VanDerWaalsContact O-CZ 3.26Å; L165-F454 WeakPolarHBondContact O-CZ 3.46Å; L169-F454 HydrophobicContact CB-CE1 4.24Å; L169-F454 HydrophobicContact CB-CZ 4.09Å; L169-F454 HydrophobicContact CD2-CE1 4.34Å; L169-F454 HydrophobicContact CD2-CZ 3.94Å; I384-F454 HydrophobicContact CB-CE2 4.5Å; I384-F454 HydrophobicContact CD1-CD2 4.42Å; I384-F454 HydrophobicContact CD1-CE1 4.35Å; I384-F454 HydrophobicContact CD1-CE2 4.02Å; I384-F454 HydrophobicContact CD1-CZ 4Å; I384-F454 HydrophobicContact CG1-CE2 4.25Å; I384-F454 HydrophobicContact CG2-CE2 3.43Å; I384-F454 VanDerWaalsContact CG2-CE2 3.43Å; I384-F454 HydrophobicContact CG2-CZ 3.68Å; L450-F454 HydrophobicContact CD2-CD2 4.04Å; L450-F454 HydrophobicContact CD2-CE2 3.98Å; L450-F454 HydrophobicContact CG-CE2 4.27Å; L450-F454 WeakPolarHBondContact O-CD2 3.46Å; L450-F454 PolarHBondContact O-N 2.94Å; F451-F454 PolarHBondContact O-N 3.02Å; A452-F454 PolarHBondContact O-N 3.04Å; F454-R456 PolarHBondContact O-N 3.33Å; F454-F457 PolarHBondContact O-N 3.11Å; F454-F457 VanDerWaalsContact O-N 3.08Å; F454-D458 PolarHBondContact O-N 3.22Å; F454-V513 HydrophobicContact CB-CG1 3.56Å; F454-A515 HydrophobicContact CD1-CB 3.96Å; F454-A515 HydrophobicContact CE1-CB 3.73Å; F454-L518 HydrophobicContact CD1-CD1 3.89Å; F454-L518 HydrophobicContact CE1-CD1 4.1Å |
| 455 | L | 89.4 | Confident | 89 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -32.4 | -174.1 | -178.9 | 61.1 | 0 | 0 | 0 | 111.9 | F334 F335 A338 F451 A452 F457 D458 L459 L504 V513 | F334-L455 HydrophobicContact CD2-CD2 3.62Å; F334-L455 HydrophobicContact CE2-CD2 3.93Å; F335-L455 HydrophobicContact CD1-CD2 3.48Å; F335-L455 VanDerWaalsContact CD1-CD2 3.48Å; F335-L455 HydrophobicContact CE1-CD1 4.48Å; F335-L455 HydrophobicContact CE1-CD2 3.75Å; F335-L455 HydrophobicContact CG-CD2 4.12Å; A338-L455 HydrophobicContact CB-CB 3.79Å; A338-L455 HydrophobicContact CB-CD2 3.82Å; A338-L455 HydrophobicContact CB-CG 3.71Å; F451-L455 WeakPolarHBondContact O-CB 3.33Å; F451-L455 PolarHBondContact O-N 3.12Å; A452-L455 PolarHBondContact O-N 2.89Å; L455-F457 PolarHBondContact O-N 3.08Å; L455-D458 PolarHBondContact O-N 2.9Å; L455-D458 VanDerWaalsContact O-N 3.11Å; L455-L459 HydrophobicContact CD1-CD1 4.3Å; L455-L459 HydrophobicContact CD1-CD2 4.14Å; L455-L459 HydrophobicContact CD1-CG 3.83Å; L455-L459 HydrophobicContact CD2-CD1 4.36Å; L455-L459 HydrophobicContact CG-CD1 3.9Å; L455-L459 HydrophobicContact CG-CG 3.91Å; L455-L459 WeakPolarHBondContact O-CB 3.23Å; L455-L459 WeakPolarHBondContact O-CG 3.47Å; L455-L459 PolarHBondContact O-N 3.13Å; L455-L504 HydrophobicContact CD1-CD1 3.76Å; L455-V513 HydrophobicContact CB-CG1 4.09Å; L455-V513 HydrophobicContact CB-CG2 4.42Å; L455-V513 HydrophobicContact CD1-CG2 4.33Å |
| 456 | R | 91.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 12.3 Ų | 12.3 | 3% | 0.03 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.6 | -36.7 | 177 | 81.8 | -168.8 | -169.9 | 163.9 | 14.1 | 112.5 | A338 V342 L345 S380 A452 E453 F454 F460 | A338-R456 HydrophobicContact CB-CB 4.22Å; A338-R456 WeakPolarHBondContact O-CB 2.96Å; V342-R456 HydrophobicContact CG2-CB 4.37Å; V342-R456 VanDerWaalsContact CG2-O 3.23Å; V342-R456 WeakPolarHBondContact CG2-O 3.37Å; L345-R456 HydrophobicContact CD1-CG 4.33Å; S380-R456 PolarHBondContact OG-NH2 3.49Å; A452-R456 WeakPolarHBondContact O-CB 3.21Å; A452-R456 PolarHBondContact O-N 3.34Å; E453-R456 VanDerWaalsContact O-CG 3.32Å; E453-R456 WeakPolarHBondContact O-CG 3.39Å; E453-R456 IonicContact OE1-CZ 3.94Å; E453-R456 IonicContact OE1-NE 3.85Å; E453-R456 PolarHBondContact OE1-NE 3.3Å; E453-R456 IonicContact OE1-NH1 3.75Å; E453-R456 PolarHBondContact OE1-NH1 3.47Å; E453-R456 IonicContact OE1-NH2 2.86Å; E453-R456 PolarHBondContact OE1-NH2 3.44Å; E453-R456 IonicContact OE2-CZ 2.67Å; E453-R456 IonicContact OE2-NE 2.8Å; E453-R456 IonicContact OE2-NH1 3.68Å; E453-R456 PolarHBondContact OE2-NH1 2.86Å; F454-R456 PolarHBondContact O-N 3.33Å; R456-F460 WeakPolarHBondContact O-CB 3.26Å; R456-F460 PolarHBondContact O-N 3.31Å |
| 457 | F | 93.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.009 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -76.1 | -35 | 178 | -66.4 | -85.8 | 0 | 0 | 0 | 111.8 | L345 E453 F454 L455 F460 S461 S517 L518 F521 F522 | L345-F457 HydrophobicContact CD1-CD1 3.66Å; L345-F457 HydrophobicContact CD1-CE1 3.8Å; L345-F457 HydrophobicContact CD1-CG 4.26Å; L345-F457 HydrophobicContact CD2-CE1 4.11Å; E453-F457 WeakPolarHBondContact O-CD2 3.32Å; E453-F457 WeakPolarHBondContact O-CE2 3.02Å; F454-F457 PolarHBondContact O-N 3.11Å; F454-F457 VanDerWaalsContact O-N 3.08Å; L455-F457 PolarHBondContact O-N 3.08Å; F457-F460 PolarHBondContact O-N 3.24Å; F457-S461 WeakPolarHBondContact O-CB 3.38Å; F457-S461 PolarHBondContact O-N 3.39Å; F457-S517 WeakPolarHBondContact O-CB 3.1Å; F457-L518 HydrophobicContact CB-CB 3.88Å; F457-L518 HydrophobicContact CD1-CB 4.45Å; F457-L518 HydrophobicContact CD1-CG 4.5Å; F457-L518 HydrophobicContact CD2-CB 3.73Å; F457-L518 HydrophobicContact CD2-CD1 3.51Å; F457-L518 HydrophobicContact CD2-CG 3.61Å; F457-L518 HydrophobicContact CE2-CB 4.31Å; F457-L518 HydrophobicContact CE2-CD1 3.45Å; F457-L518 VanDerWaalsContact CE2-CD1 3.45Å; F457-L518 HydrophobicContact CE2-CG 3.67Å; F457-L518 HydrophobicContact CG-CB 3.79Å; F457-L518 HydrophobicContact CG-CD1 4.4Å; F457-L518 HydrophobicContact CG-CG 4.03Å; F457-L518 HydrophobicContact CZ-CD1 4.31Å; F457-L518 HydrophobicContact CZ-CG 4.14Å; F457-F521 HydrophobicContact CD1-CB 3.97Å; F457-F521 HydrophobicContact CD1-CD1 4.24Å; F457-F521 HydrophobicContact CD1-CD2 4.1Å; F457-F521 AromaticContact CD1-CG 3.87Å; F457-F521 HydrophobicContact CD1-CG 3.87Å; F457-F521 HydrophobicContact CE1-CB 4.23Å; F457-F521 AromaticContact CE1-CD1 3.69Å; F457-F521 HydrophobicContact CE1-CD1 3.69Å; F457-F521 HydrophobicContact CE1-CD2 4.22Å; F457-F521 HydrophobicContact CE1-CE1 4.03Å; F457-F521 HydrophobicContact CE1-CE2 4.5Å; F457-F521 AromaticContact CE1-CG 3.8Å; F457-F521 HydrophobicContact CE1-CG 3.8Å; F457-F521 HydrophobicContact CE1-CZ 4.42Å; F457-F522 HydrophobicContact CE1-CE2 4.07Å; F457-F522 HydrophobicContact CE1-CZ 4.4Å; F457-F522 AromaticContact CZ-CE2 3.75Å; F457-F522 HydrophobicContact CZ-CE2 3.75Å; F457-F522 HydrophobicContact CZ-CZ 4.09Å |
| 458 | D | 90 | Very high | 89.4 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.1 | -42.3 | 179.4 | -159.1 | 34.8 | 0 | 0 | 0 | 112.3 | F454 L455 S462 N508 R514 S517 | F454-D458 PolarHBondContact O-N 3.22Å; L455-D458 PolarHBondContact O-N 2.9Å; L455-D458 VanDerWaalsContact O-N 3.11Å; D458-S462 WeakPolarHBondContact O-CB 3.39Å; D458-S462 PolarHBondContact O-N 2.91Å; D458-S462 VanDerWaalsContact O-N 3.12Å; D458-S462 PolarHBondContact O-OG 3.41Å; D458-N508 PolarHBondContact OD2-ND2 3.08Å; D458-R514 IonicContact OD1-NH2 3.58Å; D458-R514 PolarHBondContact OD1-NH2 3.41Å; D458-R514 VanDerWaalsContact OD1-NH2 3.17Å; D458-R514 IonicContact OD2-NE 3.51Å; D458-R514 IonicContact OD2-NH2 3.2Å; D458-R514 PolarHBondContact OD2-NH2 2.91Å; D458-S517 PolarHBondContact OD1-OG 3.12Å |
| 459 | L | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 170.4 | -67 | -178.3 | 0 | 0 | 0 | 110.2 | A338 V339 V342 L455 S461 S462 L463 L491 L504 F507 | A338-L459 HydrophobicContact CB-CD1 3.98Å; V339-L459 HydrophobicContact CG2-CD1 4.24Å; V342-L459 HydrophobicContact CG2-CB 3.48Å; V342-L459 VanDerWaalsContact CG2-CB 3.48Å; V342-L459 HydrophobicContact CG2-CD1 4.2Å; V342-L459 HydrophobicContact CG2-CG 4.48Å; L455-L459 HydrophobicContact CD1-CD1 4.3Å; L455-L459 HydrophobicContact CD1-CD2 4.14Å; L455-L459 HydrophobicContact CD1-CG 3.83Å; L455-L459 HydrophobicContact CD2-CD1 4.36Å; L455-L459 HydrophobicContact CG-CD1 3.9Å; L455-L459 HydrophobicContact CG-CG 3.91Å; L455-L459 WeakPolarHBondContact O-CB 3.23Å; L455-L459 WeakPolarHBondContact O-CG 3.47Å; L455-L459 PolarHBondContact O-N 3.13Å; L459-S461 PolarHBondContact O-N 3.44Å; L459-S462 PolarHBondContact O-N 2.93Å; L459-L463 WeakPolarHBondContact O-CG 3.49Å; L459-L463 PolarHBondContact O-N 3.39Å; L459-L491 HydrophobicContact CD1-CD2 4.38Å; L459-L491 HydrophobicContact CD2-CD2 3.75Å; L459-L504 HydrophobicContact CD2-CD1 4.32Å; L459-F507 HydrophobicContact CB-CE1 4.48Å; L459-F507 HydrophobicContact CD2-CD1 3.58Å; L459-F507 HydrophobicContact CD2-CE1 3.32Å; L459-F507 HydrophobicContact CD2-CG 4.46Å; L459-F507 HydrophobicContact CD2-CZ 3.98Å; L459-F507 HydrophobicContact CG-CE1 4.47Å |
| 460 | F | 92.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 179 | -177.1 | -116.5 | 0 | 0 | 0 | 112.5 | V342 L345 R456 F457 S462 L463 C464 L473 C476 F521 | V342-F460 HydrophobicContact CG1-CB 4.13Å; V342-F460 HydrophobicContact CG1-CD2 4.1Å; V342-F460 HydrophobicContact CG2-CB 4.44Å; L345-F460 HydrophobicContact CB-CD1 4.16Å; L345-F460 HydrophobicContact CB-CD2 4.15Å; L345-F460 HydrophobicContact CB-CE1 4.1Å; L345-F460 HydrophobicContact CB-CE2 4.12Å; L345-F460 HydrophobicContact CB-CG 4.17Å; L345-F460 HydrophobicContact CB-CZ 4.08Å; L345-F460 HydrophobicContact CD1-CB 4.19Å; L345-F460 HydrophobicContact CD1-CD1 4.04Å; L345-F460 HydrophobicContact CD1-CG 4.13Å; R456-F460 WeakPolarHBondContact O-CB 3.26Å; R456-F460 PolarHBondContact O-N 3.31Å; F457-F460 PolarHBondContact O-N 3.24Å; F460-S462 VanDerWaalsContact C-N 3.31Å; F460-S462 PolarHBondContact O-N 2.88Å; F460-L463 PolarHBondContact O-N 3.14Å; F460-C464 WeakPolarHBondContact O-CB 3.39Å; F460-C464 PolarHBondContact O-N 3Å; F460-C464 PolarHBondContact O-SG 3.42Å; F460-L473 VanDerWaalsContact CE1-O 3.26Å; F460-L473 WeakPolarHBondContact CE1-O 3.21Å; F460-C476 HydrophobicContact CE1-CB 4.31Å; F460-C476 HydrophobicContact CZ-CB 3.84Å; F460-C476 WeakPolarHBondContact CZ-O 3.31Å; F460-F521 HydrophobicContact CE1-CD2 4.4Å; F460-F521 HydrophobicContact CE1-CE2 4.08Å |
| 461 | S | 91.7 | Very high | 88.8 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 175.3 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | F457 L459 L463 C464 K465 | F457-S461 WeakPolarHBondContact O-CB 3.38Å; F457-S461 PolarHBondContact O-N 3.39Å; L459-S461 PolarHBondContact O-N 3.44Å; S461-L463 PolarHBondContact O-N 3.36Å; S461-C464 PolarHBondContact O-N 3.43Å; S461-K465 WeakPolarHBondContact O-CG 3.3Å; S461-K465 PolarHBondContact O-N 3.01Å; S461-K465 VanDerWaalsContact O-N 3.1Å |
| 462 | S | 89.8 | Confident | 88.6 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | D458 L459 F460 A466 N508 | D458-S462 WeakPolarHBondContact O-CB 3.39Å; D458-S462 PolarHBondContact O-N 2.91Å; D458-S462 VanDerWaalsContact O-N 3.12Å; D458-S462 PolarHBondContact O-OG 3.41Å; L459-S462 PolarHBondContact O-N 2.93Å; F460-S462 VanDerWaalsContact C-N 3.31Å; F460-S462 PolarHBondContact O-N 2.88Å; S462-A466 PolarHBondContact O-N 3.24Å; S462-N508 WeakPolarHBondContact OG-CB 3.3Å |
| 463 | L | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.2 | -34.5 | 176 | -67.3 | -173.2 | 0 | 0 | 0 | 112.6 | V342 L459 F460 S461 K465 A466 A467 I478 I484 K487 L488 F507 | V342-L463 HydrophobicContact CG1-CD1 3.56Å; L459-L463 WeakPolarHBondContact O-CG 3.49Å; L459-L463 PolarHBondContact O-N 3.39Å; F460-L463 PolarHBondContact O-N 3.14Å; S461-L463 PolarHBondContact O-N 3.36Å; L463-K465 VanDerWaalsContact C-N 3.33Å; L463-K465 PolarHBondContact O-N 3.23Å; L463-A466 CarbonylContact O-C 3.53Å; L463-A466 WeakPolarHBondContact O-CB 3.41Å; L463-A466 PolarHBondContact O-N 2.85Å; L463-A466 VanDerWaalsContact O-N 3.15Å; L463-A467 WeakPolarHBondContact O-CB 3.44Å; L463-A467 PolarHBondContact O-N 3.47Å; L463-I478 HydrophobicContact CB-CG2 4.23Å; L463-I478 HydrophobicContact CD1-CD1 4.06Å; L463-I484 HydrophobicContact CB-CG2 4.46Å; L463-I484 HydrophobicContact CD1-CG2 3.78Å; L463-I484 HydrophobicContact CD2-CG2 3.82Å; L463-I484 HydrophobicContact CG-CG2 4.23Å; L463-K487 HydrophobicContact CD2-CD 4.33Å; L463-L488 HydrophobicContact CD1-CD1 3.98Å; L463-L488 HydrophobicContact CD1-CD2 4.01Å; L463-L488 HydrophobicContact CD1-CG 4.04Å; L463-F507 HydrophobicContact CD2-CE1 4.49Å; L463-F507 HydrophobicContact CD2-CE2 4.17Å; L463-F507 HydrophobicContact CD2-CZ 3.53Å; L463-F507 HydrophobicContact CG-CZ 4.03Å |
| 464 | C | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 172.2 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | F460 S461 A467 K468 Y469 L473 C476 | F460-C464 WeakPolarHBondContact O-CB 3.39Å; F460-C464 PolarHBondContact O-N 3Å; F460-C464 PolarHBondContact O-SG 3.42Å; S461-C464 PolarHBondContact O-N 3.43Å; C464-A467 CarbonylContact O-C 3.42Å; C464-A467 WeakPolarHBondContact O-CB 3.49Å; C464-A467 PolarHBondContact O-N 3.07Å; C464-K468 PolarHBondContact O-N 3.22Å; C464-Y469 PolarHBondContact O-N 3.29Å; C464-L473 HydrophobicContact CB-CD2 4.28Å; C464-C476 WeakPolarHBondContact CA-SG 2.93Å; C464-C476 HydrophobicContact CB-CB 3.98Å; C464-C476 WeakPolarHBondContact CB-SG 3.27Å; C464-C476 WeakPolarHBondContact SG-CB 3.26Å; C464-C476 CovalentContact SG-SG 2.02Å; C464-C476 PolarHBondContact SG-SG 2.87Å |
| 465 | K | 88 | Confident | 88.1 | Confident | 134 Ų | 134 | 37.4 Ų | 37.4 | 58% | 0.583 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.1 | -43.4 | 170.8 | -69.5 | 175.5 | -175.5 | 176.2 | 0 | 111.8 | S461 L463 A467 K468 | S461-K465 WeakPolarHBondContact O-CG 3.3Å; S461-K465 PolarHBondContact O-N 3.01Å; S461-K465 VanDerWaalsContact O-N 3.1Å; L463-K465 VanDerWaalsContact C-N 3.33Å; L463-K465 PolarHBondContact O-N 3.23Å; K465-A467 VanDerWaalsContact C-N 3.25Å; K465-A467 PolarHBondContact O-N 2.02Å; K465-K468 WeakPolarHBondContact O-CA 3.49Å; K465-K468 PolarHBondContact O-N 3.37Å |
| 466 | A | 86.7 | Confident | 88 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 28% | 0.281 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -33.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S462 L463 K468 K487 | S462-A466 PolarHBondContact O-N 3.24Å; L463-A466 CarbonylContact O-C 3.53Å; L463-A466 WeakPolarHBondContact O-CB 3.41Å; L463-A466 PolarHBondContact O-N 2.85Å; L463-A466 VanDerWaalsContact O-N 3.15Å; A466-K468 PolarHBondContact O-N 3.16Å; A466-K487 HydrophobicContact CB-CD 4.46Å |
| 467 | A | 86.5 | Confident | 87.8 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -1.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L463 C464 K465 Y469 I478 I484 | L463-A467 WeakPolarHBondContact O-CB 3.44Å; L463-A467 PolarHBondContact O-N 3.47Å; C464-A467 CarbonylContact O-C 3.42Å; C464-A467 WeakPolarHBondContact O-CB 3.49Å; C464-A467 PolarHBondContact O-N 3.07Å; K465-A467 VanDerWaalsContact C-N 3.25Å; K465-A467 PolarHBondContact O-N 2.02Å; A467-Y469 VanDerWaalsContact C-N 3.32Å; A467-I478 HydrophobicContact CB-CG2 4.28Å; A467-I484 HydrophobicContact CB-CD1 3.9Å |
| 468 | K | 85.1 | Confident | 87.5 | Confident | 185 Ų | 185 | 39 Ų | 39 | 80% | 0.804 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 37.6 | -174.3 | -54.9 | -177.8 | 178.5 | -177.2 | 0 | 113.3 | C464 K465 A466 | C464-K468 PolarHBondContact O-N 3.22Å; K465-K468 WeakPolarHBondContact O-CA 3.49Å; K465-K468 PolarHBondContact O-N 3.37Å; A466-K468 PolarHBondContact O-N 3.16Å |
| 469 | Y | 85 | Confident | 87.2 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | trans | -98.3 | 116.5 | 175.6 | -177.9 | -94.1 | 0 | 0 | 0 | 110.9 | C464 A467 G471 P472 L475 C476 | C464-Y469 PolarHBondContact O-N 3.29Å; A467-Y469 VanDerWaalsContact C-N 3.32Å; Y469-G471 VanDerWaalsContact CE1-CA 3.41Å; Y469-G471 WeakPolarHBondContact CE1-O 3.28Å; Y469-P472 WeakPolarHBondContact CE1-O 3.31Å; Y469-P472 PolarHBondContact OH-O 3.4Å; Y469-L475 VanDerWaalsContact OH-CB 3.27Å; Y469-L475 WeakPolarHBondContact OH-CB 3.5Å; Y469-C476 HydrophobicContact CD1-CB 3.42Å; Y469-C476 VanDerWaalsContact CD1-CB 3.42Å; Y469-C476 HydrophobicContact CE1-CB 3.6Å; Y469-C476 HydrophobicContact CG-CB 4.02Å | ||
| 470 | D | 78.7 | Confident | 86.7 | Confident | 154 Ų | 154 | 44.3 Ų | 44.3 | 82% | 0.824 | 25% | 0.25 | S | S | * | . | trans | -104 | 2.9 | -176.7 | -67.3 | -28.1 | 0 | 0 | 0 | 114 | ||||
| 471 | G | 82.7 | Confident | 86.4 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -82 | -173.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y469 L473 | Y469-G471 VanDerWaalsContact CE1-CA 3.41Å; Y469-G471 WeakPolarHBondContact CE1-O 3.28Å; G471-L473 PolarHBondContact O-N 3.13Å |
| 472 | P | 84.6 | Confident | 86 | Confident | 69 Ų | 69 | 52.6 Ų | 52.6 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -56.9 | 128.3 | 174.3 | -22.5 | 33.1 | 0 | 0 | 0 | 111.4 | Y469 H474 L475 | Y469-P472 WeakPolarHBondContact CE1-O 3.31Å; Y469-P472 PolarHBondContact OH-O 3.4Å; P472-H474 VanDerWaalsContact CB-CE1 3.41Å; P472-H474 WeakPolarHBondContact CB-CE1 3.39Å; P472-H474 PolarHBondContact O-N 2.81Å; P472-L475 HydrophobicContact CB-CD1 4.45Å; P472-L475 HydrophobicContact CG-CD1 4.31Å; P472-L475 PolarHBondContact O-N 3.43Å | ||
| 473 | L | 87.3 | Confident | 85.8 | Confident | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -52.7 | -37.4 | -173.3 | -71 | 177 | 0 | 0 | 0 | 112.9 | F460 C464 G471 L475 C476 R520 F521 | F460-L473 VanDerWaalsContact CE1-O 3.26Å; F460-L473 WeakPolarHBondContact CE1-O 3.21Å; C464-L473 HydrophobicContact CB-CD2 4.28Å; G471-L473 PolarHBondContact O-N 3.13Å; L473-L475 PolarHBondContact O-N 3.07Å; L473-L475 VanDerWaalsContact O-N 3.08Å; L473-C476 VanDerWaalsContact O-CB 3.31Å; L473-C476 WeakPolarHBondContact O-CB 3.21Å; L473-C476 PolarHBondContact O-N 3.42Å; L473-C476 VanDerWaalsContact O-N 3.12Å; L473-R520 HydrophobicContact CD1-CB 4.24Å; L473-R520 HydrophobicContact CD1-CG 3.97Å; L473-F521 HydrophobicContact CB-CD2 4.03Å |
| 474 | H | 87.6 | Confident | 85.7 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -66.5 | -6.6 | -179.9 | 71.2 | -92.4 | 0 | 0 | 0 | 115.1 | N349 Y372 L373 P472 F521 | N349-H474 WeakPolarHBondContact CB-O 3.15Å; Y372-H474 HydrophobicContact CD1-CB 4.42Å; Y372-H474 HydrophobicContact CE1-CB 4.02Å; L373-H474 HydrophobicContact CD2-CB 3.74Å; P472-H474 VanDerWaalsContact CB-CE1 3.41Å; P472-H474 WeakPolarHBondContact CB-CE1 3.39Å; P472-H474 PolarHBondContact O-N 2.81Å; H474-F521 VanDerWaalsContact CA-CE2 3.44Å; H474-F521 HydrophobicContact CB-CD2 4.18Å; H474-F521 HydrophobicContact CB-CE1 4.19Å; H474-F521 HydrophobicContact CB-CE2 3.74Å; H474-F521 HydrophobicContact CB-CZ 3.73Å |
| 475 | L | 85.9 | Confident | 85.5 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -112.2 | 0.5 | 176.1 | -62.5 | 178.8 | 0 | 0 | 0 | 113.3 | P350 Y469 P472 L473 | P350-L475 HydrophobicContact CB-CD2 4.49Å; P350-L475 HydrophobicContact CG-CD2 4.48Å; Y469-L475 VanDerWaalsContact OH-CB 3.27Å; Y469-L475 WeakPolarHBondContact OH-CB 3.5Å; P472-L475 HydrophobicContact CB-CD1 4.45Å; P472-L475 HydrophobicContact CG-CD1 4.31Å; P472-L475 PolarHBondContact O-N 3.43Å; L473-L475 PolarHBondContact O-N 3.07Å; L473-L475 VanDerWaalsContact O-N 3.08Å |
| 476 | C | 88.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -71.4 | 132.2 | -178.7 | 171.6 | 0 | 0 | 0 | 0 | 112.5 | N349 F460 C464 Y469 L473 | N349-C476 PolarHBondContact ND2-O 2.99Å; F460-C476 HydrophobicContact CE1-CB 4.31Å; F460-C476 HydrophobicContact CZ-CB 3.84Å; F460-C476 WeakPolarHBondContact CZ-O 3.31Å; C464-C476 WeakPolarHBondContact CA-SG 2.93Å; C464-C476 HydrophobicContact CB-CB 3.98Å; C464-C476 WeakPolarHBondContact CB-SG 3.27Å; C464-C476 WeakPolarHBondContact SG-CB 3.26Å; C464-C476 CovalentContact SG-SG 2.02Å; C464-C476 PolarHBondContact SG-SG 2.87Å; Y469-C476 HydrophobicContact CD1-CB 3.42Å; Y469-C476 VanDerWaalsContact CD1-CB 3.42Å; Y469-C476 HydrophobicContact CE1-CB 3.6Å; Y469-C476 HydrophobicContact CG-CB 4.02Å; L473-C476 VanDerWaalsContact O-CB 3.31Å; L473-C476 WeakPolarHBondContact O-CB 3.21Å; L473-C476 PolarHBondContact O-N 3.42Å; L473-C476 VanDerWaalsContact O-N 3.12Å | ||
| 477 | S | 85.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | trans | -119 | 126.9 | 170.9 | -168 | 0 | 0 | 0 | 0 | 111.5 | S346 S352 | S346-S477 WeakPolarHBondContact OG-CA 3.38Å; S352-S477 WeakPolarHBondContact OG-CB 3.35Å; S352-S477 PolarHBondContact OG-OG 3.24Å | ||
| 478 | I | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -98.6 | -2.1 | 175.6 | 62.7 | 166.2 | 0 | 0 | 0 | 112.8 | I252 V342 S346 L463 A467 K481 I484 | I252-I478 HydrophobicContact CG2-CD1 4.35Å; I252-I478 HydrophobicContact CG2-CG1 4.28Å; I252-I478 WeakPolarHBondContact CG2-O 3.35Å; V342-I478 HydrophobicContact CG1-CD1 4.2Å; S346-I478 VanDerWaalsContact OG-CG1 3.27Å; S346-I478 WeakPolarHBondContact OG-CG1 3.38Å; S346-I478 PolarHBondContact OG-N 2.8Å; L463-I478 HydrophobicContact CB-CG2 4.23Å; L463-I478 HydrophobicContact CD1-CD1 4.06Å; A467-I478 HydrophobicContact CB-CG2 4.28Å; I478-K481 WeakPolarHBondContact O-CB 3.44Å; I478-K481 PolarHBondContact O-N 3.41Å; I478-I484 HydrophobicContact CB-CD1 3.68Å; I478-I484 HydrophobicContact CD1-CG2 4.33Å; I478-I484 HydrophobicContact CG2-CD1 3.89Å | ||
| 479 | Q | 82.6 | Confident | 85.6 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 140.2 | -177.7 | -61.7 | -69.4 | -45.2 | 0 | 0 | 111.4 | S251 K481 | S251-Q479 PolarHBondContact OG-OE1 3.45Å; Q479-K481 VanDerWaalsContact C-N 3.28Å; Q479-K481 PolarHBondContact O-N 2.71Å |
| 480 | G | 79.9 | Confident | 85.7 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 6.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S251 | S251-G480 CarbonylContact O-C 3.52Å; S251-G480 VanDerWaalsContact O-CA 3.32Å; S251-G480 WeakPolarHBondContact O-CA 3.44Å; S251-G480 PolarHBondContact O-N 3.46Å |
| 481 | K | 87 | Confident | 86 | Confident | 97 Ų | 97 | 41.6 Ų | 41.6 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | trans | -101.1 | 81.1 | 177.6 | -58 | -62 | -176.3 | -177.5 | 0 | 110.5 | I478 Q479 H483 I484 | I478-K481 WeakPolarHBondContact O-CB 3.44Å; I478-K481 PolarHBondContact O-N 3.41Å; Q479-K481 VanDerWaalsContact C-N 3.28Å; Q479-K481 PolarHBondContact O-N 2.71Å; K481-H483 PolarHBondContact O-N 3.03Å; K481-I484 HydrophobicContact CB-CD1 3.53Å; K481-I484 HydrophobicContact CB-CG1 3.91Å; K481-I484 HydrophobicContact CG-CD1 4.17Å; K481-I484 VanDerWaalsContact O-CB 3.29Å; K481-I484 WeakPolarHBondContact O-CB 3.48Å; K481-I484 PolarHBondContact O-N 3.11Å | ||
| 482 | S | 83.7 | Confident | 86.2 | Confident | 83 Ų | 83 | 40.4 Ų | 40.4 | 58% | 0.58 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.8 | -172.3 | 59.3 | 0 | 0 | 0 | 0 | 116.5 | I252 I484 G485 | I252-S482 CarbonylContact O-C 3.54Å; I252-S482 VanDerWaalsContact O-C 3.29Å; I252-S482 VanDerWaalsContact O-CA 3.31Å; I252-S482 WeakPolarHBondContact O-CA 3.41Å; S482-I484 PolarHBondContact O-N 3.06Å; S482-G485 PolarHBondContact O-N 2.85Å |
| 483 | H | 86.2 | Confident | 86.1 | Confident | 108 Ų | 108 | 37.3 Ų | 37.3 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.9 | -17 | 177.5 | 63.6 | -82.6 | 0 | 0 | 0 | 113.2 | K481 K487 | K481-H483 PolarHBondContact O-N 3.03Å; H483-K487 PolarHBondContact O-N 3.42Å |
| 484 | I | 88.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 176.9 | -68.9 | -178.3 | 0 | 0 | 0 | 110.9 | L463 A467 I478 K481 S482 A486 K487 L488 | L463-I484 HydrophobicContact CB-CG2 4.46Å; L463-I484 HydrophobicContact CD1-CG2 3.78Å; L463-I484 HydrophobicContact CD2-CG2 3.82Å; L463-I484 HydrophobicContact CG-CG2 4.23Å; A467-I484 HydrophobicContact CB-CD1 3.9Å; I478-I484 HydrophobicContact CB-CD1 3.68Å; I478-I484 HydrophobicContact CD1-CG2 4.33Å; I478-I484 HydrophobicContact CG2-CD1 3.89Å; K481-I484 HydrophobicContact CB-CD1 3.53Å; K481-I484 HydrophobicContact CB-CG1 3.91Å; K481-I484 HydrophobicContact CG-CD1 4.17Å; K481-I484 VanDerWaalsContact O-CB 3.29Å; K481-I484 WeakPolarHBondContact O-CB 3.48Å; K481-I484 PolarHBondContact O-N 3.11Å; S482-I484 PolarHBondContact O-N 3.06Å; I484-A486 VanDerWaalsContact C-N 3.35Å; I484-A486 PolarHBondContact O-N 2.97Å; I484-K487 WeakPolarHBondContact O-CB 3.42Å; I484-K487 PolarHBondContact O-N 3.37Å; I484-K487 VanDerWaalsContact O-N 3.11Å; I484-L488 PolarHBondContact O-N 3.41Å |
| 485 | G | 86.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I252 L254 S482 K487 L488 A489 | I252-G485 WeakPolarHBondContact O-CA 3.37Å; I252-G485 PolarHBondContact O-N 2.85Å; L254-G485 WeakPolarHBondContact CD2-O 3.44Å; S482-G485 PolarHBondContact O-N 2.85Å; G485-K487 VanDerWaalsContact C-N 3.29Å; G485-K487 PolarHBondContact O-N 2.04Å; G485-L488 PolarHBondContact O-N 3.4Å; G485-A489 WeakPolarHBondContact O-CB 3.12Å; G485-A489 PolarHBondContact O-N 3.16Å |
| 486 | A | 86.2 | Confident | 84.6 | Confident | 55 Ų | 55 | 37.5 Ų | 37.5 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | I484 A489 N490 | I484-A486 VanDerWaalsContact C-N 3.35Å; I484-A486 PolarHBondContact O-N 2.97Å; A486-A489 PolarHBondContact O-N 3.22Å; A486-N490 VanDerWaalsContact O-CG 3.3Å; A486-N490 PolarHBondContact O-N 3.23Å |
| 487 | K | 88.8 | Confident | 83.8 | Confident | 76 Ų | 76 | 39.6 Ų | 39.6 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -39 | 176.2 | -164.2 | 177.4 | 174.9 | 172.3 | 0 | 111.9 | L463 A466 H483 I484 G485 L491 F507 | L463-K487 HydrophobicContact CD2-CD 4.33Å; A466-K487 HydrophobicContact CB-CD 4.46Å; H483-K487 PolarHBondContact O-N 3.42Å; I484-K487 WeakPolarHBondContact O-CB 3.42Å; I484-K487 PolarHBondContact O-N 3.37Å; I484-K487 VanDerWaalsContact O-N 3.11Å; G485-K487 VanDerWaalsContact C-N 3.29Å; G485-K487 PolarHBondContact O-N 2.04Å; K487-L491 PolarHBondContact O-N 3.24Å; K487-F507 HydrophobicContact CB-CE2 4.48Å; K487-F507 HydrophobicContact CD-CE2 4.12Å; K487-F507 WeakPolarHBondContact CE-O 3.41Å; K487-F507 HydrophobicContact CG-CD2 4.03Å; K487-F507 HydrophobicContact CG-CE2 3.7Å; K487-F507 PolarHBondContact NZ-O 3.03Å |
| 488 | L | 88.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.2 | -42 | 173.3 | -76.6 | 176.9 | 0 | 0 | 0 | 112.3 | I252 L254 V339 L463 I484 G485 N490 L491 L492 F507 | I252-L488 HydrophobicContact CD1-CD1 3.85Å; L254-L488 HydrophobicContact CD1-CD1 4.3Å; V339-L488 HydrophobicContact CG1-CD1 4.49Å; V339-L488 HydrophobicContact CG2-CD2 4.1Å; L463-L488 HydrophobicContact CD1-CD1 3.98Å; L463-L488 HydrophobicContact CD1-CD2 4.01Å; L463-L488 HydrophobicContact CD1-CG 4.04Å; I484-L488 PolarHBondContact O-N 3.41Å; G485-L488 PolarHBondContact O-N 3.4Å; L488-N490 VanDerWaalsContact C-N 3.34Å; L488-N490 PolarHBondContact O-N 2.85Å; L488-L491 WeakPolarHBondContact O-CB 3.23Å; L488-L491 PolarHBondContact O-N 3.34Å; L488-L491 VanDerWaalsContact O-N 3.07Å; L488-L492 WeakPolarHBondContact O-CG 3.49Å; L488-L492 PolarHBondContact O-N 3.48Å; L488-L492 VanDerWaalsContact O-N 3.13Å; L488-F507 HydrophobicContact CD2-CE2 4.14Å; L488-F507 HydrophobicContact CD2-CZ 4.13Å |
| 489 | A | 85.5 | Confident | 82.8 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 11% | 0.107 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L254 Q318 G485 A486 L491 L492 S493 | L254-A489 HydrophobicContact CD2-CB 4.26Å; Q318-A489 HydrophobicContact CG-CB 4.33Å; G485-A489 WeakPolarHBondContact O-CB 3.12Å; G485-A489 PolarHBondContact O-N 3.16Å; A486-A489 PolarHBondContact O-N 3.22Å; A489-L491 PolarHBondContact O-N 3.44Å; A489-L492 PolarHBondContact O-N 3.48Å; A489-S493 WeakPolarHBondContact O-CB 3.36Å; A489-S493 PolarHBondContact O-N 3.29Å; A489-S493 PolarHBondContact O-OG 3.49Å |
| 490 | N | 86 | Confident | 82.6 | Confident | 116 Ų | 116 | 40.7 Ų | 40.7 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.7 | -28.2 | 176.5 | -70.7 | -11.7 | 0 | 0 | 0 | 114 | A486 L488 P494 | A486-N490 VanDerWaalsContact O-CG 3.3Å; A486-N490 PolarHBondContact O-N 3.23Å; L488-N490 VanDerWaalsContact C-N 3.34Å; L488-N490 PolarHBondContact O-N 2.85Å; N490-P494 WeakPolarHBondContact O-CD 3.46Å |
| 491 | L | 86.1 | Confident | 82.7 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.8 | -36.2 | 174.5 | 176.3 | 66.7 | 0 | 0 | 0 | 111.7 | F335 L459 K487 L488 A489 L503 F507 | F335-L491 HydrophobicContact CD1-CD1 4.41Å; F335-L491 HydrophobicContact CD1-CD2 3.91Å; F335-L491 HydrophobicContact CD1-CG 4.26Å; F335-L491 HydrophobicContact CE1-CD1 3.83Å; F335-L491 HydrophobicContact CE1-CD2 3.93Å; F335-L491 HydrophobicContact CE1-CG 4.16Å; F335-L491 HydrophobicContact CZ-CD1 4.07Å; L459-L491 HydrophobicContact CD1-CD2 4.38Å; L459-L491 HydrophobicContact CD2-CD2 3.75Å; K487-L491 PolarHBondContact O-N 3.24Å; L488-L491 WeakPolarHBondContact O-CB 3.23Å; L488-L491 PolarHBondContact O-N 3.34Å; L488-L491 VanDerWaalsContact O-N 3.07Å; A489-L491 PolarHBondContact O-N 3.44Å; L491-L503 HydrophobicContact CD1-CB 3.91Å; L491-L503 WeakPolarHBondContact CD1-O 2.97Å; L491-F507 HydrophobicContact CB-CD2 3.85Å; L491-F507 HydrophobicContact CB-CE2 4.36Å; L491-F507 HydrophobicContact CB-CG 4.5Å; L491-F507 HydrophobicContact CD1-CB 3.87Å; L491-F507 HydrophobicContact CD1-CD2 4.46Å; L491-F507 HydrophobicContact CD1-CG 4.28Å; L491-F507 HydrophobicContact CD2-CD1 4.43Å; L491-F507 HydrophobicContact CD2-CD2 3.94Å; L491-F507 HydrophobicContact CD2-CE2 4.16Å; L491-F507 HydrophobicContact CD2-CG 4.06Å; L491-F507 HydrophobicContact CG-CD2 4.3Å |
| 492 | L | 85.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -89.2 | -29.9 | -172.9 | -59.5 | 171.8 | 0 | 0 | 0 | 113.1 | Y315 Q318 F335 V339 L488 A489 G495 | Y315-L492 HydrophobicContact CD2-CB 4.15Å; Y315-L492 HydrophobicContact CD2-CD2 3.72Å; Y315-L492 HydrophobicContact CD2-CG 4.46Å; Y315-L492 HydrophobicContact CG-CD2 4.49Å; Q318-L492 HydrophobicContact CB-CB 3.81Å; Q318-L492 HydrophobicContact CG-CB 4.37Å; Q318-L492 HydrophobicContact CG-CD1 4.39Å; F335-L492 HydrophobicContact CB-CD2 4.17Å; V339-L492 HydrophobicContact CG2-CD1 4.31Å; V339-L492 HydrophobicContact CG2-CD2 4.07Å; L488-L492 WeakPolarHBondContact O-CG 3.49Å; L488-L492 PolarHBondContact O-N 3.48Å; L488-L492 VanDerWaalsContact O-N 3.13Å; A489-L492 PolarHBondContact O-N 3.48Å; L492-G495 PolarHBondContact O-N 3.42Å |
| 493 | S | 83.8 | Confident | 82.4 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.7 | -173.7 | -67.6 | 0 | 0 | 0 | 0 | 115.8 | Q318 C319 Q323 A489 G495 | Q318-S493 WeakPolarHBondContact O-CA 3.23Å; Q318-S493 PolarHBondContact O-OG 3.48Å; C319-S493 WeakPolarHBondContact CA-O 3.4Å; Q323-S493 WeakPolarHBondContact CG-O 3.45Å; A489-S493 WeakPolarHBondContact O-CB 3.36Å; A489-S493 PolarHBondContact O-N 3.29Å; A489-S493 PolarHBondContact O-OG 3.49Å; S493-G495 VanDerWaalsContact C-N 3.29Å; S493-G495 PolarHBondContact O-N 2.93Å |
| 494 | P | 80.9 | Confident | 82.3 | Confident | 12 Ų | 12 | 30.8 Ų | 30.8 | 8% | 0.078 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -16.6 | -179.4 | -26 | 40 | 0 | 0 | 0 | 114.9 | Q323 N490 L496 S497 E498 L503 | Q323-P494 WeakPolarHBondContact CG-O 3.45Å; N490-P494 WeakPolarHBondContact O-CD 3.46Å; P494-L496 PolarHBondContact O-N 3.08Å; P494-S497 WeakPolarHBondContact O-CB 3.43Å; P494-S497 PolarHBondContact O-N 3Å; P494-S497 PolarHBondContact O-OG 2.88Å; P494-E498 HydrophobicContact CB-CB 4.15Å; P494-E498 HydrophobicContact CB-CG 4.07Å; P494-L503 HydrophobicContact CB-CD1 4.06Å; P494-L503 HydrophobicContact CB-CD2 3.62Å; P494-L503 HydrophobicContact CB-CG 4.44Å; P494-L503 HydrophobicContact CG-CD2 3.49Å; P494-L503 VanDerWaalsContact CG-CD2 3.49Å |
| 495 | G | 76.5 | Confident | 82.1 | Confident | 8 Ų | 8 | 35.8 Ų | 35.8 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | -134.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C319 L492 S493 | C319-G495 VanDerWaalsContact SG-CA 3.52Å; L492-G495 PolarHBondContact O-N 3.42Å; S493-G495 VanDerWaalsContact C-N 3.29Å; S493-G495 PolarHBondContact O-N 2.93Å |
| 496 | L | 70.8 | Confident | 81.9 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 0.3 | 173 | -62.3 | 173.8 | 0 | 0 | 0 | 113.8 | F327 R329 P494 E498 | F327-L496 HydrophobicContact CB-CB 4.3Å; F327-L496 HydrophobicContact CD1-CB 4.05Å; F327-L496 WeakPolarHBondContact O-CB 3.47Å; F327-L496 WeakPolarHBondContact O-CG 3.44Å; F327-L496 PolarHBondContact O-N 2.89Å; R329-L496 HydrophobicContact CB-CD1 3.95Å; P494-L496 PolarHBondContact O-N 3.08Å; L496-E498 PolarHBondContact O-N 3.16Å |
| 497 | S | 73.5 | Confident | 81.9 | Confident | 44 Ų | 44 | 40.4 Ų | 40.4 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -72.4 | -20.7 | -179.7 | 75.7 | 0 | 0 | 0 | 0 | 112.2 | Q323 P494 | Q323-S497 PolarHBondContact NE2-OG 3Å; Q323-S497 PolarHBondContact OE1-OG 3.09Å; P494-S497 WeakPolarHBondContact O-CB 3.43Å; P494-S497 PolarHBondContact O-N 3Å; P494-S497 PolarHBondContact O-OG 2.88Å |
| 498 | E | 76 | Confident | 81.7 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -121.7 | 139.7 | 168.6 | -64.8 | -170.5 | 176.3 | 0 | 0 | 109.4 | P494 L496 W500 L503 K506 | P494-E498 HydrophobicContact CB-CB 4.15Å; P494-E498 HydrophobicContact CB-CG 4.07Å; L496-E498 PolarHBondContact O-N 3.16Å; E498-W500 PolarHBondContact O-N 3.35Å; E498-L503 HydrophobicContact CB-CD1 4.46Å; E498-L503 HydrophobicContact CB-CD2 3.95Å; E498-L503 HydrophobicContact CB-CG 4.1Å; E498-L503 WeakPolarHBondContact OE2-CD2 3.4Å; E498-K506 IonicContact OE1-NZ 2.97Å; E498-K506 PolarHBondContact OE1-NZ 2.78Å; E498-K506 IonicContact OE2-NZ 2.76Å; E498-K506 PolarHBondContact OE2-NZ 3.06Å |
| 499 | P | 77.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | trans | -55.5 | 135 | 176.2 | -24.9 | 33.3 | 0 | 0 | 0 | 111.5 | E154 T501 Q502 L503 | E154-P499 WeakPolarHBondContact OE2-CA 3.39Å; P499-T501 PolarHBondContact O-N 3.26Å; P499-Q502 HydrophobicContact CB-CG 4.28Å; P499-Q502 HydrophobicContact CG-CG 4.44Å; P499-Q502 WeakPolarHBondContact O-CB 3.35Å; P499-Q502 PolarHBondContact O-N 2.89Å; P499-L503 PolarHBondContact O-N 3.44Å | ||
| 500 | W | 78.1 | Confident | 81.3 | Confident | 17 Ų | 17 | 41 Ų | 41 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.9 | -30.2 | -175.5 | 71 | -99 | 0 | 0 | 0 | 113.3 | Y153 E154 F334 F335 E498 L503 L504 V513 | Y153-W500 HydrophobicContact CD2-CZ2 4.41Å; Y153-W500 HydrophobicContact CE1-CZ2 4.2Å; Y153-W500 HydrophobicContact CE2-CH2 4.35Å; Y153-W500 AromaticContact CE2-CZ2 3.62Å; Y153-W500 HydrophobicContact CE2-CZ2 3.62Å; Y153-W500 AromaticContact CZ-CZ2 3.49Å; Y153-W500 VanDerWaalsContact CZ-CZ2 3.49Å; Y153-W500 PolarHBondContact O-NE1 3.19Å; Y153-W500 WeakPolarHBondContact OH-CZ2 3.43Å; E154-W500 PolarHBondContact OE2-N 2.79Å; F334-W500 HydrophobicContact CE2-CD2 4.45Å; F334-W500 HydrophobicContact CE2-CE3 4.16Å; F334-W500 HydrophobicContact CZ-CB 4.25Å; F334-W500 AromaticContact CZ-CD2 3.68Å; F334-W500 HydrophobicContact CZ-CD2 3.68Å; F334-W500 AromaticContact CZ-CE3 3.84Å; F334-W500 HydrophobicContact CZ-CE3 3.84Å; F334-W500 AromaticContact CZ-CG 3.89Å; F334-W500 HydrophobicContact CZ-CG 3.89Å; F334-W500 HydrophobicContact CZ-CZ3 4.44Å; F335-W500 HydrophobicContact CE2-CB 3.68Å; F335-W500 HydrophobicContact CZ-CB 4.43Å; F335-W500 HydrophobicContact CZ-CE3 4.49Å; E498-W500 PolarHBondContact O-N 3.35Å; W500-L503 PolarHBondContact O-N 3.5Å; W500-L504 HydrophobicContact CZ3-CD2 4.14Å; W500-L504 PolarHBondContact O-N 2.71Å; W500-V513 HydrophobicContact CH2-CG2 4.4Å; W500-V513 HydrophobicContact CZ3-CG2 4.11Å |
| 501 | T | 80.6 | Confident | 81.1 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 177.1 | 55 | 0 | 0 | 0 | 0 | 112.3 | P499 Q505 N511 | P499-T501 PolarHBondContact O-N 3.26Å; T501-Q505 WeakPolarHBondContact O-CB 3.46Å; T501-Q505 PolarHBondContact O-N 3.48Å; T501-N511 WeakPolarHBondContact CB-O 3.29Å; T501-N511 VanDerWaalsContact CG2-O 3.24Å; T501-N511 WeakPolarHBondContact CG2-O 3.49Å |
| 502 | Q | 81.2 | Confident | 80.9 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.4 | -37.9 | 175.7 | -63.9 | -176.9 | 13 | 0 | 0 | 111.1 | P499 Q505 K506 | P499-Q502 HydrophobicContact CB-CG 4.28Å; P499-Q502 HydrophobicContact CG-CG 4.44Å; P499-Q502 WeakPolarHBondContact O-CB 3.35Å; P499-Q502 PolarHBondContact O-N 2.89Å; Q502-Q505 PolarHBondContact O-N 2.89Å; Q502-K506 WeakPolarHBondContact O-CG 3.4Å; Q502-K506 PolarHBondContact O-N 3.36Å |
| 503 | L | 83.1 | Confident | 80.8 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 176.4 | -64.7 | 178.8 | 0 | 0 | 0 | 111.8 | L491 P494 E498 P499 W500 Q505 K506 F507 | L491-L503 HydrophobicContact CD1-CB 3.91Å; L491-L503 WeakPolarHBondContact CD1-O 2.97Å; P494-L503 HydrophobicContact CB-CD1 4.06Å; P494-L503 HydrophobicContact CB-CD2 3.62Å; P494-L503 HydrophobicContact CB-CG 4.44Å; P494-L503 HydrophobicContact CG-CD2 3.49Å; P494-L503 VanDerWaalsContact CG-CD2 3.49Å; E498-L503 HydrophobicContact CB-CD1 4.46Å; E498-L503 HydrophobicContact CB-CD2 3.95Å; E498-L503 HydrophobicContact CB-CG 4.1Å; E498-L503 WeakPolarHBondContact OE2-CD2 3.4Å; P499-L503 PolarHBondContact O-N 3.44Å; W500-L503 PolarHBondContact O-N 3.5Å; L503-Q505 VanDerWaalsContact C-N 3.28Å; L503-Q505 PolarHBondContact O-N 3.34Å; L503-K506 PolarHBondContact O-N 2.85Å; L503-F507 WeakPolarHBondContact O-CB 3.11Å; L503-F507 PolarHBondContact O-N 3.45Å |
| 504 | L | 85.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 173.6 | -168.9 | 63.8 | 0 | 0 | 0 | 110.8 | F335 L455 L459 W500 K506 F507 N508 A510 K512 | F335-L504 HydrophobicContact CE1-CD1 4.13Å; F335-L504 HydrophobicContact CZ-CB 4.22Å; L455-L504 HydrophobicContact CD1-CD1 3.76Å; L459-L504 HydrophobicContact CD2-CD1 4.32Å; W500-L504 HydrophobicContact CZ3-CD2 4.14Å; W500-L504 PolarHBondContact O-N 2.71Å; L504-K506 PolarHBondContact O-N 3.14Å; L504-F507 PolarHBondContact O-N 2.84Å; L504-N508 PolarHBondContact O-N 3.32Å; L504-N508 PolarHBondContact O-OD1 2.75Å; L504-A510 CarbonylContact C-O 3.6Å; L504-A510 VanDerWaalsContact CB-O 3.29Å; L504-A510 WeakPolarHBondContact CB-O 3.44Å; L504-A510 HydrophobicContact CD2-CB 4.3Å; L504-A510 HydrophobicContact CG-CB 4.33Å; L504-A510 WeakPolarHBondContact CG-O 3.34Å; L504-K512 WeakPolarHBondContact CD2-O 3.45Å |
| 505 | Q | 84.4 | Confident | 81.3 | Confident | 106 Ų | 106 | 46.7 Ų | 46.7 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 179.9 | -171.4 | 178.1 | 15.6 | 0 | 0 | 111.6 | T501 Q502 L503 F507 G509 A510 | T501-Q505 WeakPolarHBondContact O-CB 3.46Å; T501-Q505 PolarHBondContact O-N 3.48Å; Q502-Q505 PolarHBondContact O-N 2.89Å; L503-Q505 VanDerWaalsContact C-N 3.28Å; L503-Q505 PolarHBondContact O-N 3.34Å; Q505-F507 PolarHBondContact O-N 3.33Å; Q505-G509 WeakPolarHBondContact O-CA 3.29Å; Q505-G509 PolarHBondContact O-N 3.26Å; Q505-A510 WeakPolarHBondContact CA-O 3.07Å; Q505-A510 PolarHBondContact N-O 3.41Å |
| 506 | K | 82.7 | Confident | 81.8 | Confident | 138 Ų | 138 | 50.9 Ų | 50.9 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.8 | -32.1 | 172.6 | -72.1 | 173.6 | -178.2 | 178.3 | 0 | 112 | E498 Q502 L503 L504 | E498-K506 IonicContact OE1-NZ 2.97Å; E498-K506 PolarHBondContact OE1-NZ 2.78Å; E498-K506 IonicContact OE2-NZ 2.76Å; E498-K506 PolarHBondContact OE2-NZ 3.06Å; Q502-K506 WeakPolarHBondContact O-CG 3.4Å; Q502-K506 PolarHBondContact O-N 3.36Å; L503-K506 PolarHBondContact O-N 2.85Å; L504-K506 PolarHBondContact O-N 3.14Å |
| 507 | F | 86.3 | Confident | 82.7 | Confident | 14 Ų | 14 | 49 Ų | 49 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -82.3 | -50.4 | -174.4 | -177.1 | -93.2 | 0 | 0 | 0 | 114.4 | L459 L463 K487 L488 L491 L503 L504 Q505 | L459-F507 HydrophobicContact CB-CE1 4.48Å; L459-F507 HydrophobicContact CD2-CD1 3.58Å; L459-F507 HydrophobicContact CD2-CE1 3.32Å; L459-F507 HydrophobicContact CD2-CG 4.46Å; L459-F507 HydrophobicContact CD2-CZ 3.98Å; L459-F507 HydrophobicContact CG-CE1 4.47Å; L463-F507 HydrophobicContact CD2-CE1 4.49Å; L463-F507 HydrophobicContact CD2-CE2 4.17Å; L463-F507 HydrophobicContact CD2-CZ 3.53Å; L463-F507 HydrophobicContact CG-CZ 4.03Å; K487-F507 HydrophobicContact CB-CE2 4.48Å; K487-F507 HydrophobicContact CD-CE2 4.12Å; K487-F507 WeakPolarHBondContact CE-O 3.41Å; K487-F507 HydrophobicContact CG-CD2 4.03Å; K487-F507 HydrophobicContact CG-CE2 3.7Å; K487-F507 PolarHBondContact NZ-O 3.03Å; L488-F507 HydrophobicContact CD2-CE2 4.14Å; L488-F507 HydrophobicContact CD2-CZ 4.13Å; L491-F507 HydrophobicContact CB-CD2 3.85Å; L491-F507 HydrophobicContact CB-CE2 4.36Å; L491-F507 HydrophobicContact CB-CG 4.5Å; L491-F507 HydrophobicContact CD1-CB 3.87Å; L491-F507 HydrophobicContact CD1-CD2 4.46Å; L491-F507 HydrophobicContact CD1-CG 4.28Å; L491-F507 HydrophobicContact CD2-CD1 4.43Å; L491-F507 HydrophobicContact CD2-CD2 3.94Å; L491-F507 HydrophobicContact CD2-CE2 4.16Å; L491-F507 HydrophobicContact CD2-CG 4.06Å; L491-F507 HydrophobicContact CG-CD2 4.3Å; L503-F507 WeakPolarHBondContact O-CB 3.11Å; L503-F507 PolarHBondContact O-N 3.45Å; L504-F507 PolarHBondContact O-N 2.84Å; Q505-F507 PolarHBondContact O-N 3.33Å |
| 508 | N | 84 | Confident | 83.7 | Confident | 37 Ų | 37 | 47 Ų | 47 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -130.9 | 6.6 | -177.5 | 71 | 1 | 0 | 0 | 0 | 114.4 | D458 S462 L504 A510 | D458-N508 PolarHBondContact OD2-ND2 3.08Å; S462-N508 WeakPolarHBondContact OG-CB 3.3Å; L504-N508 PolarHBondContact O-N 3.32Å; L504-N508 PolarHBondContact O-OD1 2.75Å; N508-A510 PolarHBondContact O-N 3.4Å; N508-A510 WeakPolarHBondContact OD1-CB 3.31Å; N508-A510 PolarHBondContact OD1-N 3.02Å |
| 509 | G | 82.9 | Confident | 84.5 | Confident | 54 Ų | 54 | 47 Ų | 47 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 80.4 | -4.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q505 | Q505-G509 WeakPolarHBondContact O-CA 3.29Å; Q505-G509 PolarHBondContact O-N 3.26Å |
| 510 | A | 82.7 | Confident | 85.1 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | trans | -90.7 | 136.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L504 Q505 N508 | L504-A510 CarbonylContact C-O 3.6Å; L504-A510 VanDerWaalsContact CB-O 3.29Å; L504-A510 WeakPolarHBondContact CB-O 3.44Å; L504-A510 HydrophobicContact CD2-CB 4.3Å; L504-A510 HydrophobicContact CG-CB 4.33Å; L504-A510 WeakPolarHBondContact CG-O 3.34Å; Q505-A510 WeakPolarHBondContact CA-O 3.07Å; Q505-A510 PolarHBondContact N-O 3.41Å; N508-A510 PolarHBondContact O-N 3.4Å; N508-A510 WeakPolarHBondContact OD1-CB 3.31Å; N508-A510 PolarHBondContact OD1-N 3.02Å | ||
| 511 | N | 80.2 | Confident | 85.8 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 49% | 0.492 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -98.1 | 2.8 | 173.9 | 61.7 | -7.6 | 0 | 0 | 0 | 112.9 | T501 | T501-N511 WeakPolarHBondContact CB-O 3.29Å; T501-N511 VanDerWaalsContact CG2-O 3.24Å; T501-N511 WeakPolarHBondContact CG2-O 3.49Å |
| 512 | K | 83.1 | Confident | 86.5 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -146.4 | 153.9 | 179.7 | -68.4 | -169.4 | 170.3 | -153 | 0 | 110.7 | E157 D161 L504 | E157-K512 IonicContact OE2-NZ 3.74Å; E157-K512 PolarHBondContact OE2-NZ 3.06Å; D161-K512 IonicContact OD1-NZ 2.93Å; D161-K512 PolarHBondContact OD1-NZ 3.22Å; L504-K512 WeakPolarHBondContact CD2-O 3.45Å |
| 513 | V | 84.3 | Confident | 87 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | trans | -69 | 138.8 | 170.7 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | L165 F451 F454 L455 W500 | L165-V513 HydrophobicContact CD1-CB 4.4Å; L165-V513 HydrophobicContact CD1-CG1 4.23Å; L165-V513 HydrophobicContact CD2-CG1 4.41Å; F451-V513 HydrophobicContact CD1-CB 3.85Å; F451-V513 HydrophobicContact CD1-CG1 4.21Å; F451-V513 HydrophobicContact CD1-CG2 3.8Å; F451-V513 HydrophobicContact CE1-CB 4.35Å; F454-V513 HydrophobicContact CB-CG1 3.56Å; L455-V513 HydrophobicContact CB-CG1 4.09Å; L455-V513 HydrophobicContact CB-CG2 4.42Å; L455-V513 HydrophobicContact CD1-CG2 4.33Å; W500-V513 HydrophobicContact CH2-CG2 4.4Å; W500-V513 HydrophobicContact CZ3-CG2 4.11Å | ||
| 514 | R | 85.5 | Confident | 87.4 | Confident | 94 Ų | 94 | 50.5 Ų | 50.5 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | trans | -130.6 | 151.6 | -175.8 | -63.1 | 174.5 | -63.1 | 161.9 | 5.2 | 111.5 | D458 D516 | D458-R514 IonicContact OD1-NH2 3.58Å; D458-R514 PolarHBondContact OD1-NH2 3.41Å; D458-R514 VanDerWaalsContact OD1-NH2 3.17Å; D458-R514 IonicContact OD2-NE 3.51Å; D458-R514 IonicContact OD2-NH2 3.2Å; D458-R514 PolarHBondContact OD2-NH2 2.91Å; R514-D516 WeakPolarHBondContact CD-OD2 3.35Å | ||
| 515 | A | 88.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -83.6 | -14.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L165 D168 F454 S517 L518 L519 | L165-A515 HydrophobicContact CD2-CB 4.42Å; D168-A515 HydrophobicContact CB-CB 3.6Å; F454-A515 HydrophobicContact CD1-CB 3.96Å; F454-A515 HydrophobicContact CE1-CB 3.73Å; A515-S517 VanDerWaalsContact C-N 3.34Å; A515-S517 PolarHBondContact O-N 3.18Å; A515-L518 WeakPolarHBondContact O-CA 3.49Å; A515-L518 WeakPolarHBondContact O-CB 3.48Å; A515-L518 PolarHBondContact O-N 2.88Å; A515-L519 HydrophobicContact CB-CD1 4.3Å; A515-L519 HydrophobicContact CB-CG 4.43Å; A515-L519 WeakPolarHBondContact O-CG 3.33Å; A515-L519 PolarHBondContact O-N 2.72Å |
| 516 | D | 88.1 | Confident | 88.2 | Confident | 95 Ų | 95 | 49 Ų | 49 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -51.1 | -48.9 | -172.3 | -61.4 | -64.3 | 0 | 0 | 0 | 113.5 | R514 L518 L519 R520 | R514-D516 WeakPolarHBondContact CD-OD2 3.35Å; D516-L518 VanDerWaalsContact C-N 3.31Å; D516-L518 PolarHBondContact O-N 3.23Å; D516-L519 PolarHBondContact O-N 2.67Å; D516-R520 WeakPolarHBondContact O-CB 3.33Å; D516-R520 PolarHBondContact O-N 2.78Å |
| 517 | S | 89.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | -177.4 | -65 | 0 | 0 | 0 | 0 | 112.1 | F457 D458 A515 F521 | F457-S517 WeakPolarHBondContact O-CB 3.1Å; D458-S517 PolarHBondContact OD1-OG 3.12Å; A515-S517 VanDerWaalsContact C-N 3.34Å; A515-S517 PolarHBondContact O-N 3.18Å; S517-F521 WeakPolarHBondContact O-CB 3.47Å; S517-F521 PolarHBondContact O-N 3.34Å; S517-F521 VanDerWaalsContact O-N 3.12Å |
| 518 | L | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69 | -48.4 | 173.4 | -177.7 | 161.7 | 0 | 0 | 0 | 110.6 | L169 L381 I384 F454 F457 A515 D516 R520 F521 F522 | L169-L518 HydrophobicContact CD1-CD1 4.44Å; L169-L518 HydrophobicContact CD1-CD2 3.34Å; L381-L518 HydrophobicContact CD2-CD2 4.29Å; I384-L518 HydrophobicContact CD1-CD1 3.79Å; F454-L518 HydrophobicContact CD1-CD1 3.89Å; F454-L518 HydrophobicContact CE1-CD1 4.1Å; F457-L518 HydrophobicContact CB-CB 3.88Å; F457-L518 HydrophobicContact CD1-CB 4.45Å; F457-L518 HydrophobicContact CD1-CG 4.5Å; F457-L518 HydrophobicContact CD2-CB 3.73Å; F457-L518 HydrophobicContact CD2-CD1 3.51Å; F457-L518 HydrophobicContact CD2-CG 3.61Å; F457-L518 HydrophobicContact CE2-CB 4.31Å; F457-L518 HydrophobicContact CE2-CD1 3.45Å; F457-L518 VanDerWaalsContact CE2-CD1 3.45Å; F457-L518 HydrophobicContact CE2-CG 3.67Å; F457-L518 HydrophobicContact CG-CB 3.79Å; F457-L518 HydrophobicContact CG-CD1 4.4Å; F457-L518 HydrophobicContact CG-CG 4.03Å; F457-L518 HydrophobicContact CZ-CD1 4.31Å; F457-L518 HydrophobicContact CZ-CG 4.14Å; A515-L518 WeakPolarHBondContact O-CA 3.49Å; A515-L518 WeakPolarHBondContact O-CB 3.48Å; A515-L518 PolarHBondContact O-N 2.88Å; D516-L518 VanDerWaalsContact C-N 3.31Å; D516-L518 PolarHBondContact O-N 3.23Å; L518-R520 VanDerWaalsContact C-N 3.33Å; L518-R520 PolarHBondContact O-N 2.94Å; L518-F521 VanDerWaalsContact O-CB 3.3Å; L518-F521 WeakPolarHBondContact O-CB 3.44Å; L518-F521 PolarHBondContact O-N 2.86Å; L518-F521 VanDerWaalsContact O-N 3.09Å; L518-F522 HydrophobicContact CD2-CD2 3.69Å; L518-F522 HydrophobicContact CD2-CE2 3.95Å; L518-F522 HydrophobicContact CG-CD2 4.14Å; L518-F522 HydrophobicContact CG-CE2 4.06Å; L518-F522 WeakPolarHBondContact O-CD2 3.42Å; L518-F522 PolarHBondContact O-N 2.96Å; L518-F522 VanDerWaalsContact O-N 3.13Å |
| 519 | L | 92.8 | Very high | 89.4 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 179.5 | -67.6 | 174.7 | 0 | 0 | 0 | 111.5 | L169 L172 A515 D516 F521 F522 E523 | L169-L519 HydrophobicContact CD1-CD2 4.28Å; L172-L519 HydrophobicContact CB-CD2 4.4Å; L172-L519 HydrophobicContact CD2-CD2 4.31Å; A515-L519 HydrophobicContact CB-CD1 4.3Å; A515-L519 HydrophobicContact CB-CG 4.43Å; A515-L519 WeakPolarHBondContact O-CG 3.33Å; A515-L519 PolarHBondContact O-N 2.72Å; D516-L519 PolarHBondContact O-N 2.67Å; L519-F521 VanDerWaalsContact C-N 3.3Å; L519-F521 PolarHBondContact O-N 3.47Å; L519-F522 CarbonylContact O-C 3.48Å; L519-F522 PolarHBondContact O-N 2.91Å; L519-E523 PolarHBondContact O-N 3.42Å |
| 520 | R | 89.7 | Confident | 89.5 | Confident | 137 Ų | 137 | 48.4 Ų | 48.4 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -35.3 | 174.1 | -175 | 176.1 | 175.8 | 178.3 | -1.2 | 112.4 | L473 D516 L518 F522 | L473-R520 HydrophobicContact CD1-CB 4.24Å; L473-R520 HydrophobicContact CD1-CG 3.97Å; D516-R520 WeakPolarHBondContact O-CB 3.33Å; D516-R520 PolarHBondContact O-N 2.78Å; L518-R520 VanDerWaalsContact C-N 3.33Å; L518-R520 PolarHBondContact O-N 2.94Å; R520-F522 VanDerWaalsContact C-N 3.34Å |
| 521 | F | 93.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 175.2 | -175.1 | -84.3 | 0 | 0 | 0 | 111.4 | L345 Y372 L373 V376 F457 F460 L473 H474 S517 L518 L519 | L345-F521 HydrophobicContact CD2-CE2 4.21Å; L345-F521 HydrophobicContact CD2-CZ 3.89Å; Y372-F521 HydrophobicContact CE1-CZ 4.01Å; L373-F521 HydrophobicContact CD2-CD1 3.8Å; L373-F521 HydrophobicContact CD2-CE1 3.56Å; L373-F521 HydrophobicContact CD2-CZ 4.34Å; L373-F521 WeakPolarHBondContact CD2-O 3.28Å; V376-F521 HydrophobicContact CB-CE1 4.46Å; V376-F521 HydrophobicContact CG1-CE1 4.17Å; F457-F521 HydrophobicContact CD1-CB 3.97Å; F457-F521 HydrophobicContact CD1-CD1 4.24Å; F457-F521 HydrophobicContact CD1-CD2 4.1Å; F457-F521 AromaticContact CD1-CG 3.87Å; F457-F521 HydrophobicContact CD1-CG 3.87Å; F457-F521 HydrophobicContact CE1-CB 4.23Å; F457-F521 AromaticContact CE1-CD1 3.69Å; F457-F521 HydrophobicContact CE1-CD1 3.69Å; F457-F521 HydrophobicContact CE1-CD2 4.22Å; F457-F521 HydrophobicContact CE1-CE1 4.03Å; F457-F521 HydrophobicContact CE1-CE2 4.5Å; F457-F521 AromaticContact CE1-CG 3.8Å; F457-F521 HydrophobicContact CE1-CG 3.8Å; F457-F521 HydrophobicContact CE1-CZ 4.42Å; F460-F521 HydrophobicContact CE1-CD2 4.4Å; F460-F521 HydrophobicContact CE1-CE2 4.08Å; L473-F521 HydrophobicContact CB-CD2 4.03Å; H474-F521 VanDerWaalsContact CA-CE2 3.44Å; H474-F521 HydrophobicContact CB-CD2 4.18Å; H474-F521 HydrophobicContact CB-CE1 4.19Å; H474-F521 HydrophobicContact CB-CE2 3.74Å; H474-F521 HydrophobicContact CB-CZ 3.73Å; S517-F521 WeakPolarHBondContact O-CB 3.47Å; S517-F521 PolarHBondContact O-N 3.34Å; S517-F521 VanDerWaalsContact O-N 3.12Å; L518-F521 VanDerWaalsContact O-CB 3.3Å; L518-F521 WeakPolarHBondContact O-CB 3.44Å; L518-F521 PolarHBondContact O-N 2.86Å; L518-F521 VanDerWaalsContact O-N 3.09Å; L519-F521 VanDerWaalsContact C-N 3.3Å; L519-F521 PolarHBondContact O-N 3.47Å |
| 522 | F | 95.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -92.9 | 1.4 | -179.5 | -68.5 | -67.7 | 0 | 0 | 0 | 115.4 | L172 L373 V376 A377 L381 F457 L518 L519 R520 P524 L525 Y526 | L172-F522 HydrophobicContact CD2-CB 3.58Å; L172-F522 HydrophobicContact CD2-CD2 3.95Å; L172-F522 HydrophobicContact CD2-CG 3.96Å; L373-F522 HydrophobicContact CB-CD1 4.5Å; L373-F522 HydrophobicContact CD2-CD1 4.11Å; L373-F522 HydrophobicContact CD2-CE1 4.47Å; L373-F522 WeakPolarHBondContact O-CE1 3.12Å; V376-F522 HydrophobicContact CB-CE1 4.06Å; V376-F522 HydrophobicContact CB-CZ 4.18Å; V376-F522 HydrophobicContact CG1-CE1 4.18Å; V376-F522 HydrophobicContact CG1-CZ 3.8Å; A377-F522 HydrophobicContact CB-CD1 4.1Å; A377-F522 HydrophobicContact CB-CE1 3.63Å; A377-F522 HydrophobicContact CB-CZ 4.2Å; L381-F522 HydrophobicContact CD2-CD2 4.48Å; L381-F522 HydrophobicContact CD2-CE2 4.18Å; F457-F522 HydrophobicContact CE1-CE2 4.07Å; F457-F522 HydrophobicContact CE1-CZ 4.4Å; F457-F522 AromaticContact CZ-CE2 3.75Å; F457-F522 HydrophobicContact CZ-CE2 3.75Å; F457-F522 HydrophobicContact CZ-CZ 4.09Å; L518-F522 HydrophobicContact CD2-CD2 3.69Å; L518-F522 HydrophobicContact CD2-CE2 3.95Å; L518-F522 HydrophobicContact CG-CD2 4.14Å; L518-F522 HydrophobicContact CG-CE2 4.06Å; L518-F522 WeakPolarHBondContact O-CD2 3.42Å; L518-F522 PolarHBondContact O-N 2.96Å; L518-F522 VanDerWaalsContact O-N 3.13Å; L519-F522 CarbonylContact O-C 3.48Å; L519-F522 PolarHBondContact O-N 2.91Å; R520-F522 VanDerWaalsContact C-N 3.34Å; F522-P524 VanDerWaalsContact C-CD 3.41Å; F522-P524 VanDerWaalsContact C-N 3.32Å; F522-L525 HydrophobicContact CD1-CD2 4.21Å; F522-L525 WeakPolarHBondContact O-CB 3.46Å; F522-L525 PolarHBondContact O-N 2.97Å; F522-Y526 PolarHBondContact O-N 2.88Å |
| 523 | E | 91.7 | Very high | 89.7 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -49.6 | -43.3 | -177.1 | -175.3 | -172.1 | 172.4 | 0 | 0 | 113.9 | L519 L525 Y526 K527 | L519-E523 PolarHBondContact O-N 3.42Å; E523-L525 PolarHBondContact O-N 3.39Å; E523-Y526 PolarHBondContact O-N 3.05Å; E523-K527 HydrophobicContact CG-CD 4.49Å; E523-K527 PolarHBondContact O-N 3.21Å; E523-K527 VanDerWaalsContact O-N 3.1Å; E523-K527 WeakPolarHBondContact OE1-CE 3.24Å; E523-K527 IonicContact OE1-NZ 2.72Å; E523-K527 PolarHBondContact OE1-NZ 2.75Å |
| 524 | P | 90.7 | Very high | 89.3 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.7 | -22 | 34.2 | 0 | 0 | 0 | 112.8 | I370 L373 F522 W528 | I370-P524 HydrophobicContact CD1-CB 3.95Å; L373-P524 HydrophobicContact CD1-CB 3.82Å; L373-P524 HydrophobicContact CD1-CG 3.97Å; F522-P524 VanDerWaalsContact C-CD 3.41Å; F522-P524 VanDerWaalsContact C-N 3.32Å; P524-W528 PolarHBondContact O-N 2.87Å |
| 525 | L | 94 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 178.3 | 179 | 66.2 | 0 | 0 | 0 | 111.6 | I370 L373 M374 A377 F522 E523 K527 W528 L529 | I370-L525 HydrophobicContact CG2-CD1 4.15Å; L373-L525 HydrophobicContact CB-CB 4Å; L373-L525 HydrophobicContact CB-CD2 4.24Å; L373-L525 HydrophobicContact CD1-CB 4.26Å; M374-L525 HydrophobicContact CB-CD1 4.41Å; M374-L525 HydrophobicContact CE-CD1 3.94Å; A377-L525 HydrophobicContact CB-CD2 3.58Å; F522-L525 HydrophobicContact CD1-CD2 4.21Å; F522-L525 WeakPolarHBondContact O-CB 3.46Å; F522-L525 PolarHBondContact O-N 2.97Å; E523-L525 PolarHBondContact O-N 3.39Å; L525-K527 PolarHBondContact O-N 3.43Å; L525-W528 HydrophobicContact CD1-CE3 4.21Å; L525-W528 WeakPolarHBondContact O-CB 3.25Å; L525-W528 PolarHBondContact O-N 3.22Å; L525-L529 HydrophobicContact CD1-CD1 4.41Å; L525-L529 HydrophobicContact CD1-CG 4.35Å; L525-L529 HydrophobicContact CG-CD1 4.04Å; L525-L529 HydrophobicContact CG-CG 4.42Å; L525-L529 PolarHBondContact O-N 3.17Å |
| 526 | Y | 93 | Very high | 87.6 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 177.7 | -177.9 | -124.6 | 0 | 0 | 0 | 111.8 | L172 E175 F522 E523 W528 L529 K530 | L172-Y526 HydrophobicContact CB-CD2 4.2Å; L172-Y526 HydrophobicContact CD1-CD2 3.71Å; L172-Y526 HydrophobicContact CD1-CG 4.16Å; E175-Y526 HydrophobicContact CG-CD2 3.97Å; E175-Y526 HydrophobicContact CG-CE2 3.56Å; F522-Y526 PolarHBondContact O-N 2.88Å; E523-Y526 PolarHBondContact O-N 3.05Å; Y526-W528 VanDerWaalsContact C-N 3.25Å; Y526-W528 PolarHBondContact O-N 3.08Å; Y526-L529 PolarHBondContact O-N 2.77Å; Y526-K530 WeakPolarHBondContact O-CB 3.23Å; Y526-K530 PolarHBondContact O-N 3.28Å |
| 527 | K | 89.9 | Confident | 86.5 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 177 | -72.7 | 177.7 | -175.1 | 167.9 | 0 | 112.2 | E523 L525 R531 | E523-K527 HydrophobicContact CG-CD 4.49Å; E523-K527 PolarHBondContact O-N 3.21Å; E523-K527 VanDerWaalsContact O-N 3.1Å; E523-K527 WeakPolarHBondContact OE1-CE 3.24Å; E523-K527 IonicContact OE1-NZ 2.72Å; E523-K527 PolarHBondContact OE1-NZ 2.75Å; L525-K527 PolarHBondContact O-N 3.43Å; K527-R531 PolarHBondContact O-N 2.84Å |
| 528 | W | 93.6 | Very high | 85.7 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -53.5 | 176.6 | -178.2 | 85.3 | 0 | 0 | 0 | 111.5 | Y179 P218 Y219 I370 M374 P524 L525 Y526 K530 R531 E532 | Y179-W528 HydrophobicContact CD2-CH2 4.47Å; Y179-W528 HydrophobicContact CD2-CZ3 4.44Å; Y179-W528 HydrophobicContact CE1-CH2 4.49Å; Y179-W528 HydrophobicContact CE1-CZ3 4.5Å; Y179-W528 AromaticContact CE2-CH2 3.68Å; Y179-W528 HydrophobicContact CE2-CH2 3.68Å; Y179-W528 HydrophobicContact CE2-CZ3 4.04Å; Y179-W528 AromaticContact CZ-CH2 3.69Å; P218-W528 HydrophobicContact CB-CH2 3.59Å; P218-W528 HydrophobicContact CB-CZ2 3.59Å; P218-W528 HydrophobicContact CB-CZ3 4.07Å; P218-W528 HydrophobicContact CG-CE3 4.39Å; P218-W528 HydrophobicContact CG-CH2 3.85Å; P218-W528 HydrophobicContact CG-CZ2 4.32Å; P218-W528 HydrophobicContact CG-CZ3 3.88Å; Y219-W528 AromaticContact CZ-NE1 3.97Å; Y219-W528 PolarHBondContact OH-NE1 2.87Å; I370-W528 HydrophobicContact CD1-CB 4.31Å; I370-W528 HydrophobicContact CG2-CD2 4.41Å; I370-W528 HydrophobicContact CG2-CG 4.43Å; M374-W528 HydrophobicContact CE-CZ3 4.16Å; P524-W528 PolarHBondContact O-N 2.87Å; L525-W528 HydrophobicContact CD1-CE3 4.21Å; L525-W528 WeakPolarHBondContact O-CB 3.25Å; L525-W528 PolarHBondContact O-N 3.22Å; Y526-W528 VanDerWaalsContact C-N 3.25Å; Y526-W528 PolarHBondContact O-N 3.08Å; W528-K530 VanDerWaalsContact C-N 3.29Å; W528-K530 PolarHBondContact O-N 2.91Å; W528-R531 PolarHBondContact O-N 3.49Å; W528-E532 HydrophobicContact CD2-CG 4.13Å; W528-E532 HydrophobicContact CE3-CG 4.39Å; W528-E532 HydrophobicContact CH2-CG 4.01Å; W528-E532 HydrophobicContact CZ2-CG 3.72Å; W528-E532 HydrophobicContact CZ3-CG 4.33Å; W528-E532 WeakPolarHBondContact O-CG 2.98Å; W528-E532 PolarHBondContact O-N 3.2Å; W528-E532 VanDerWaalsContact O-N 3.12Å |
| 529 | L | 93.3 | Very high | 85 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 177.9 | -72.1 | 166.3 | 0 | 0 | 0 | 112.1 | L172 E175 L176 Y179 M374 L525 Y526 R531 E532 N533 | L172-L529 HydrophobicContact CD1-CD1 4.47Å; E175-L529 HydrophobicContact CB-CB 3.8Å; E175-L529 HydrophobicContact CB-CD1 4.13Å; L176-L529 HydrophobicContact CB-CD1 4.22Å; Y179-L529 HydrophobicContact CD1-CD2 4.07Å; Y179-L529 HydrophobicContact CD2-CD2 4.21Å; Y179-L529 HydrophobicContact CG-CD2 3.74Å; M374-L529 HydrophobicContact CE-CD2 4.31Å; L525-L529 HydrophobicContact CD1-CD1 4.41Å; L525-L529 HydrophobicContact CD1-CG 4.35Å; L525-L529 HydrophobicContact CG-CD1 4.04Å; L525-L529 HydrophobicContact CG-CG 4.42Å; L525-L529 PolarHBondContact O-N 3.17Å; Y526-L529 PolarHBondContact O-N 2.77Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 3.23Å; L529-E532 PolarHBondContact O-N 3.12Å; L529-N533 PolarHBondContact O-N 3.46Å; L529-N533 PolarHBondContact O-ND2 3.1Å |
| 530 | K | 85 | Confident | 84.2 | Confident | 89 Ų | 89 | 60 Ų | 60 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.2 | -45.7 | -178.3 | -171.3 | -177 | 178.8 | 174.9 | 0 | 111.9 | Y526 W528 D534 R551 | Y526-K530 WeakPolarHBondContact O-CB 3.23Å; Y526-K530 PolarHBondContact O-N 3.28Å; W528-K530 VanDerWaalsContact C-N 3.29Å; W528-K530 PolarHBondContact O-N 2.91Å; K530-D534 PolarHBondContact O-N 3.48Å; K530-D534 VanDerWaalsContact O-N 3.1Å; K530-R551 VanDerWaalsContact CE-NH2 3.29Å; K530-R551 VanDerWaalsContact CG-CZ 3.47Å; K530-R551 PolarHBondContact O-NH1 2.84Å; K530-R551 PolarHBondContact O-NH2 3.17Å |
| 531 | R | 80.9 | Confident | 83.7 | Confident | 155 Ų | 155 | 53.5 Ų | 53.5 | 59% | 0.585 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.7 | -47.1 | 179 | -172.3 | -170.9 | -45.2 | -164.6 | 4.7 | 111.4 | K527 W528 L529 N533 D534 E535 | K527-R531 PolarHBondContact O-N 2.84Å; W528-R531 PolarHBondContact O-N 3.49Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 3.23Å; R531-N533 VanDerWaalsContact C-N 3.25Å; R531-N533 PolarHBondContact O-N 2.89Å; R531-D534 PolarHBondContact O-N 3.38Å; R531-E535 WeakPolarHBondContact CG-OE1 3.37Å; R531-E535 WeakPolarHBondContact O-CG 3.31Å; R531-E535 PolarHBondContact O-N 3.5Å |
| 532 | E | 84.6 | Confident | 83 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -36.4 | 178.5 | -78.1 | -73 | 141.2 | 0 | 0 | 113 | R182 W528 L529 E536 | R182-E532 IonicContact NH2-OE2 3.66Å; W528-E532 HydrophobicContact CD2-CG 4.13Å; W528-E532 HydrophobicContact CE3-CG 4.39Å; W528-E532 HydrophobicContact CH2-CG 4.01Å; W528-E532 HydrophobicContact CZ2-CG 3.72Å; W528-E532 HydrophobicContact CZ3-CG 4.33Å; W528-E532 WeakPolarHBondContact O-CG 2.98Å; W528-E532 PolarHBondContact O-N 3.2Å; W528-E532 VanDerWaalsContact O-N 3.12Å; L529-E532 PolarHBondContact O-N 3.12Å; E532-E536 WeakPolarHBondContact O-CG 3.48Å |
| 533 | N | 86 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -81.8 | -32.7 | 177.7 | -67 | -31.7 | 0 | 0 | 0 | 112.6 | E175 L529 R531 E536 N537 E538 Y540 | E175-N533 PolarHBondContact O-ND2 3.18Å; E175-N533 PolarHBondContact OE2-ND2 2.96Å; L529-N533 PolarHBondContact O-N 3.46Å; L529-N533 PolarHBondContact O-ND2 3.1Å; R531-N533 VanDerWaalsContact C-N 3.25Å; R531-N533 PolarHBondContact O-N 2.89Å; N533-E536 PolarHBondContact O-N 3.06Å; N533-N537 PolarHBondContact O-N 3.29Å; N533-E538 PolarHBondContact O-N 2.65Å; N533-Y540 VanDerWaalsContact C-OH 3.31Å; N533-Y540 HydrophobicContact CB-CE1 3.58Å; N533-Y540 VanDerWaalsContact CB-OH 3.24Å; N533-Y540 WeakPolarHBondContact CB-OH 3.14Å; N533-Y540 PolarHBondContact O-OH 3.36Å |
| 534 | D | 75.1 | Confident | 79.9 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 175 | -88.9 | -33.3 | 0 | 0 | 0 | 112.4 | K530 R531 E536 N537 Y540 R551 | K530-D534 PolarHBondContact O-N 3.48Å; K530-D534 VanDerWaalsContact O-N 3.1Å; R531-D534 PolarHBondContact O-N 3.38Å; D534-E536 PolarHBondContact O-N 2.95Å; D534-E536 VanDerWaalsContact O-N 3.14Å; D534-N537 PolarHBondContact O-N 3.23Å; D534-Y540 PolarHBondContact N-OH 2.98Å; D534-R551 IonicContact OD1-CZ 2.66Å; D534-R551 IonicContact OD1-NE 2.98Å; D534-R551 IonicContact OD1-NH2 3.75Å; D534-R551 PolarHBondContact OD1-NH2 3.48Å; D534-R551 IonicContact OD2-CZ 2.81Å; D534-R551 IonicContact OD2-NH2 2.94Å; D534-R551 PolarHBondContact OD2-NH2 3.43Å |
| 535 | E | 69.1 | Low | 78.1 | Confident | 131 Ų | 131 | 55.9 Ų | 55.9 | 61% | 0.612 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.9 | -29 | -177.2 | -73.3 | 177 | -173.8 | 0 | 0 | 111.6 | R531 | R531-E535 WeakPolarHBondContact CG-OE1 3.37Å; R531-E535 WeakPolarHBondContact O-CG 3.31Å; R531-E535 PolarHBondContact O-N 3.5Å |
| 536 | E | 69.3 | Low | 76.1 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 2.3 | -177.6 | -64.3 | -93.5 | 133.8 | 0 | 0 | 113.1 | R182 K186 E532 N533 D534 E538 | R182-E536 IonicContact CZ-OE2 3.6Å; R182-E536 VanDerWaalsContact NH1-CG 3.3Å; R182-E536 IonicContact NH1-OE1 3.4Å; R182-E536 IonicContact NH1-OE2 3.71Å; R182-E536 PolarHBondContact NH1-OE2 2.98Å; K186-E536 IonicContact NZ-OE2 2.75Å; E532-E536 WeakPolarHBondContact O-CG 3.48Å; N533-E536 PolarHBondContact O-N 3.06Å; D534-E536 PolarHBondContact O-N 2.95Å; D534-E536 VanDerWaalsContact O-N 3.14Å; E536-E538 PolarHBondContact O-N 3.24Å |
| 537 | N | 65.9 | Low | 73.9 | Confident | 117 Ų | 117 | 59.7 Ų | 59.7 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 38.2 | -175.6 | -62.4 | -77.7 | 0 | 0 | 0 | 113 | N533 D534 | N533-N537 PolarHBondContact O-N 3.29Å; D534-N537 PolarHBondContact O-N 3.23Å |
| 538 | E | 72.4 | Confident | 72.1 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | trans | -67 | 150.4 | 179.7 | -97.7 | -63.9 | 179.2 | 0 | 0 | 111.7 | R181 R182 N533 E536 Y540 | R181-E538 IonicContact CZ-OE2 3.65Å; R181-E538 IonicContact NH2-OE2 3.7Å; R181-E538 PolarHBondContact NH2-OE2 3.35Å; R182-E538 HydrophobicContact CB-CG 4.43Å; R182-E538 HydrophobicContact CG-CG 4.5Å; N533-E538 PolarHBondContact O-N 2.65Å; E536-E538 PolarHBondContact O-N 3.24Å; E538-Y540 VanDerWaalsContact O-CE2 3.23Å; E538-Y540 WeakPolarHBondContact O-CE2 3.47Å | ||
| 539 | C | 78.5 | Confident | 70.1 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | trans | -84.2 | 149.4 | 167.3 | 67.6 | 0 | 0 | 0 | 0 | 110.2 | R181 P553 C555 | R181-C539 PolarHBondContact NH2-O 2.99Å; R181-C539 PolarHBondContact NH2-SG 3.17Å; R181-C539 VanDerWaalsContact NH2-SG 3.36Å; C539-P553 CarbonylContact C-O 3.55Å; C539-P553 VanDerWaalsContact CA-O 3.3Å; C539-P553 WeakPolarHBondContact CA-O 3.48Å; C539-P553 HydrophobicContact CB-CG 4.32Å; C539-C555 HydrophobicContact CB-CB 4Å; C539-C555 WeakPolarHBondContact CB-SG 3.2Å; C539-C555 PolarHBondContact O-SG 3.41Å; C539-C555 WeakPolarHBondContact SG-CA 3.42Å; C539-C555 WeakPolarHBondContact SG-CB 3.44Å; C539-C555 CovalentContact SG-SG 2.04Å; C539-C555 PolarHBondContact SG-SG 3.16Å | ||
| 540 | Y | 76.8 | Confident | 68.7 | Low | 3 Ų | 3 | 65.2 Ų | 65.2 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -107.1 | 146.1 | -177.2 | -57.1 | -83.3 | 0 | 0 | 0 | 110.7 | E175 A178 N533 D534 E538 R551 P553 R554 C555 | E175-Y540 WeakPolarHBondContact OE2-CE1 3.27Å; A178-Y540 HydrophobicContact CB-CD1 3.98Å; A178-Y540 HydrophobicContact CB-CE1 4.34Å; N533-Y540 VanDerWaalsContact C-OH 3.31Å; N533-Y540 HydrophobicContact CB-CE1 3.58Å; N533-Y540 VanDerWaalsContact CB-OH 3.24Å; N533-Y540 WeakPolarHBondContact CB-OH 3.14Å; N533-Y540 PolarHBondContact O-OH 3.36Å; D534-Y540 PolarHBondContact N-OH 2.98Å; E538-Y540 VanDerWaalsContact O-CE2 3.23Å; E538-Y540 WeakPolarHBondContact O-CE2 3.47Å; Y540-R551 HydrophobicContact CD2-CB 4.17Å; Y540-R551 HydrophobicContact CD2-CG 3.82Å; Y540-R551 HydrophobicContact CE2-CG 3.84Å; Y540-R551 HydrophobicContact CG-CB 4.2Å; Y540-R551 HydrophobicContact CG-CG 4.24Å; Y540-R551 PolarHBondContact OH-NE 3.36Å; Y540-R551 PolarHBondContact OH-NH1 3.15Å; Y540-P553 WeakPolarHBondContact CD2-O 3.34Å; Y540-P553 PolarHBondContact N-O 2.93Å; Y540-R554 WeakPolarHBondContact O-CA 3.47Å; Y540-R554 WeakPolarHBondContact O-CD 3.18Å; Y540-R554 PolarHBondContact O-NE 3.36Å; Y540-C555 PolarHBondContact O-N 3.02Å |
| 541 | G | 78.1 | Confident | 67.7 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 74.5 | -169 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C555 | G541-C555 VanDerWaalsContact O-CB 3.27Å; G541-C555 WeakPolarHBondContact O-CB 3.45Å; G541-C555 PolarHBondContact O-SG 3.29Å |
| 542 | W | 80.5 | Confident | 66.6 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -153.5 | 135.4 | -168.9 | 48 | 80.7 | 0 | 0 | 0 | 108.1 | L170 Y173 E174 H177 S194 T195 N416 Q417 Y419 G420 Y544 | L170-W542 HydrophobicContact CD1-CH2 4.29Å; L170-W542 HydrophobicContact CD1-CZ2 4.39Å; Y173-W542 AromaticContact CD1-CH2 3.59Å; Y173-W542 HydrophobicContact CD1-CH2 3.59Å; Y173-W542 HydrophobicContact CD1-CZ2 4.36Å; Y173-W542 HydrophobicContact CD1-CZ3 4.4Å; Y173-W542 AromaticContact CE1-CH2 3.43Å; Y173-W542 HydrophobicContact CE1-CH2 3.43Å; Y173-W542 VanDerWaalsContact CE1-CH2 3.43Å; Y173-W542 HydrophobicContact CE1-CZ2 4.02Å; Y173-W542 HydrophobicContact CE1-CZ3 4.12Å; E174-W542 HydrophobicContact CG-CH2 3.84Å; E174-W542 HydrophobicContact CG-CZ3 4.05Å; H177-W542 HydrophobicContact CB-CE3 4.28Å; H177-W542 HydrophobicContact CB-CH2 4.45Å; H177-W542 HydrophobicContact CB-CZ3 3.59Å; H177-W542 AromaticContact CD2-CE3 3.5Å; H177-W542 AromaticContact CD2-CZ3 3.5Å; H177-W542 VanDerWaalsContact CD2-CZ3 3.5Å; H177-W542 WeakPolarHBondContact CD2-CZ3 3.47Å; H177-W542 AromaticContact CE1-CE3 3.35Å; H177-W542 AromaticContact CE1-CZ3 3.99Å; H177-W542 AromaticContact CG-CE3 3.5Å; H177-W542 AromaticContact CG-CZ3 3.3Å; H177-W542 AromaticContact ND1-CE3 3.42Å; H177-W542 AromaticContact ND1-CZ3 3.66Å; H177-W542 AromaticContact NE2-CE3 3.4Å; H177-W542 AromaticContact NE2-CZ3 3.92Å; S194-W542 WeakPolarHBondContact O-CB 3.46Å; S194-W542 WeakPolarHBondContact OG-CA 3.43Å; T195-W542 HydrophobicContact CG2-CB 3.82Å; N416-W542 PolarHBondContact O-NE1 3.17Å; Q417-W542 PolarHBondContact O-NE1 2.79Å; Y419-W542 VanDerWaalsContact C-CZ2 3.49Å; G420-W542 VanDerWaalsContact CA-CE2 3.4Å; G420-W542 VanDerWaalsContact CA-NE1 3.29Å; G420-W542 VanDerWaalsContact N-CD1 3.29Å; W542-Y544 WeakPolarHBondContact O-CA 3.33Å; W542-Y544 PolarHBondContact O-N 3.37Å | ||
| 543 | G | 62.3 | Low | 65.5 | Low | 48 Ų | 48 | 56.8 Ų | 56.8 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 31.9 | -5.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | S194 | S194-G543 PolarHBondContact OG-N 3.4Š|
| 544 | Y | 59.2 | Low | 64.9 | Low | 77 Ų | 77 | 56.9 Ų | 56.9 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | trans | -163.1 | 131.9 | -158.6 | -173.2 | -104.9 | 0 | 0 | 0 | 109 | Q417 W542 P546 R554 | Q417-Y544 VanDerWaalsContact C-CD1 3.45Å; Q417-Y544 HydrophobicContact CB-CD1 3.73Å; Q417-Y544 HydrophobicContact CB-CD2 3.76Å; Q417-Y544 HydrophobicContact CB-CE1 4.05Å; Q417-Y544 HydrophobicContact CB-CE2 4.1Å; Q417-Y544 HydrophobicContact CB-CG 3.55Å; Q417-Y544 HydrophobicContact CG-CD1 4.45Å; Q417-Y544 HydrophobicContact CG-CD2 3.58Å; Q417-Y544 HydrophobicContact CG-CE2 4.07Å; Q417-Y544 HydrophobicContact CG-CG 3.78Å; Q417-Y544 WeakPolarHBondContact O-CD1 3.28Å; W542-Y544 WeakPolarHBondContact O-CA 3.33Å; W542-Y544 PolarHBondContact O-N 3.37Å; Y544-P546 HydrophobicContact CD1-CG 4.04Å; Y544-P546 HydrophobicContact CE1-CG 4.01Å; Y544-R554 PolarHBondContact O-NH2 3.36Å | ||
| 545 | T | 51.8 | Low | 64.5 | Low | 66 Ų | 66 | 53.5 Ų | 53.5 | 41% | 0.405 | 28% | 0.275 | S | S | . | . | trans | -115.7 | 105.8 | 178 | 42.8 | 0 | 0 | 0 | 0 | 108.8 | R554 | T545-R554 HydrophobicContact CG2-CG 4.11Š| ||
| 546 | P | 52.3 | Low | 64.1 | Low | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | trans | -56.4 | 150.6 | 162.8 | -25.6 | 37.1 | 0 | 0 | 0 | 110.3 | L170 Y544 T548 L550 | L170-P546 HydrophobicContact CD2-CB 3.66Å; L170-P546 HydrophobicContact CD2-CG 3.49Å; L170-P546 VanDerWaalsContact CD2-CG 3.49Å; Y544-P546 HydrophobicContact CD1-CG 4.04Å; Y544-P546 HydrophobicContact CE1-CG 4.01Å; P546-T548 PolarHBondContact O-N 2.83Å; P546-L550 HydrophobicContact CB-CD1 4.24Å; P546-L550 HydrophobicContact CG-CD1 4.34Å | ||
| 547 | T | 48 | Very low | 63.3 | Low | 143 Ų | 143 | 48.1 Ų | 48.1 | 88% | 0.877 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -65 | 13.8 | -169.3 | 35.1 | 0 | 0 | 0 | 0 | 116 | ||
| 548 | T | 51.4 | Low | 62.7 | Low | 38 Ų | 38 | 43.7 Ų | 43.7 | 23% | 0.233 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -100.6 | 157.7 | -172.7 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | T167 P546 L550 | T167-T548 HydrophobicContact CG2-CG2 3.1Å; T167-T548 WeakPolarHBondContact OG1-CG2 3.4Å; P546-T548 PolarHBondContact O-N 2.83Å; T548-L550 WeakPolarHBondContact O-CG 3.29Å; T548-L550 PolarHBondContact O-N 2.99Å; T548-L550 WeakPolarHBondContact OG1-CG 3.19Å |
| 549 | R | 50.8 | Low | 61.9 | Low | 205 Ų | 205 | 45.5 Ų | 45.5 | 77% | 0.774 | 24% | 0.238 | S | C | * | . | trans | -66.5 | 76.7 | 176.2 | -82 | -173.5 | 178.2 | -173.2 | -2 | 110.2 | ||||
| 550 | L | 65.3 | Low | 60.5 | Low | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | trans | -86.6 | 148.7 | -178.4 | -63.2 | 169 | 0 | 0 | 0 | 111.8 | L170 P171 P546 T548 Q552 | L170-L550 HydrophobicContact CB-CD2 4.38Å; L170-L550 HydrophobicContact CD2-CD1 3.73Å; L170-L550 HydrophobicContact CD2-CD2 3.58Å; L170-L550 HydrophobicContact CD2-CG 4.24Å; L170-L550 HydrophobicContact CG-CD2 3.74Å; P171-L550 HydrophobicContact CG-CD2 4.37Å; P546-L550 HydrophobicContact CB-CD1 4.24Å; P546-L550 HydrophobicContact CG-CD1 4.34Å; T548-L550 WeakPolarHBondContact O-CG 3.29Å; T548-L550 PolarHBondContact O-N 2.99Å; T548-L550 WeakPolarHBondContact OG1-CG 3.19Å; L550-Q552 PolarHBondContact O-NE2 3.35Å; L550-Q552 VanDerWaalsContact O-NE2 3.13Å | ||
| 551 | R | 62.5 | Low | 59.2 | Low | 47 Ų | 47 | 54.4 Ų | 54.4 | 18% | 0.177 | 30% | 0.299 | C | S | . | . | trans | -59.4 | 151.5 | -177.9 | -163.8 | 176 | -171.2 | -178.9 | 17.1 | 111.9 | E175 K530 D534 Y540 R554 | E175-R551 WeakPolarHBondContact OE1-CD 3.16Å; E175-R551 IonicContact OE1-CZ 3.17Å; E175-R551 IonicContact OE1-NE 2.74Å; E175-R551 IonicContact OE1-NH1 3.26Å; E175-R551 PolarHBondContact OE1-NH1 3.38Å; E175-R551 IonicContact OE2-NH1 2.77Å; E175-R551 PolarHBondContact OE2-NH1 2.96Å; K530-R551 VanDerWaalsContact CE-NH2 3.29Å; K530-R551 VanDerWaalsContact CG-CZ 3.47Å; K530-R551 PolarHBondContact O-NH1 2.84Å; K530-R551 PolarHBondContact O-NH2 3.17Å; D534-R551 IonicContact OD1-CZ 2.66Å; D534-R551 IonicContact OD1-NE 2.98Å; D534-R551 IonicContact OD1-NH2 3.75Å; D534-R551 PolarHBondContact OD1-NH2 3.48Å; D534-R551 IonicContact OD2-CZ 2.81Å; D534-R551 IonicContact OD2-NH2 2.94Å; D534-R551 PolarHBondContact OD2-NH2 3.43Å; Y540-R551 HydrophobicContact CD2-CB 4.17Å; Y540-R551 HydrophobicContact CD2-CG 3.82Å; Y540-R551 HydrophobicContact CE2-CG 3.84Å; Y540-R551 HydrophobicContact CG-CB 4.2Å; Y540-R551 HydrophobicContact CG-CG 4.24Å; Y540-R551 PolarHBondContact OH-NE 3.36Å; Y540-R551 PolarHBondContact OH-NH1 3.15Å; R551-R554 VanDerWaalsContact O-CD 3.32Å; R551-R554 WeakPolarHBondContact O-CD 3.43Å | ||
| 552 | Q | 58.2 | Low | 57.8 | Low | 50 Ų | 50 | 61.6 Ų | 61.6 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -127.8 | 148.5 | -174.9 | -60.1 | -62.6 | -41.8 | 0 | 0 | 109.8 | L550 K622 | L550-Q552 PolarHBondContact O-NE2 3.35Å; L550-Q552 VanDerWaalsContact O-NE2 3.13Å; Q552-K622 HydrophobicContact CB-CG 4.1Å; Q552-K622 HydrophobicContact CG-CD 3.85Å; Q552-K622 HydrophobicContact CG-CG 3.65Å |
| 553 | P | 62.9 | Low | 56.6 | Low | 22 Ų | 22 | 62.9 Ų | 62.9 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | S | Bend | cis | -79.3 | 154.8 | 5.6 | 34.7 | -38.3 | 0 | 0 | 0 | 113.4 | C539 Y540 Y624 | C539-P553 CarbonylContact C-O 3.55Å; C539-P553 VanDerWaalsContact CA-O 3.3Å; C539-P553 WeakPolarHBondContact CA-O 3.48Å; C539-P553 HydrophobicContact CB-CG 4.32Å; Y540-P553 WeakPolarHBondContact CD2-O 3.34Å; Y540-P553 PolarHBondContact N-O 2.93Å; P553-Y624 HydrophobicContact CB-CE2 4.46Å; P553-Y624 WeakPolarHBondContact CG-OH 3.45Å |
| 554 | R | 71.8 | Confident | 56.2 | Low | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 146.9 | 175.8 | -57.4 | -72.8 | -70.2 | -173.2 | -7.4 | 113.3 | E174 Y540 Y544 T545 R551 D556 I557 F558 | E174-R554 IonicContact OE1-CZ 3.85Å; E174-R554 IonicContact OE1-NH1 3.74Å; E174-R554 PolarHBondContact OE1-NH1 2.98Å; E174-R554 IonicContact OE1-NH2 2.83Å; E174-R554 PolarHBondContact OE1-NH2 2.99Å; E174-R554 IonicContact OE2-CZ 3.95Å; E174-R554 IonicContact OE2-NH1 3.01Å; E174-R554 PolarHBondContact OE2-NH1 3.29Å; Y540-R554 WeakPolarHBondContact O-CA 3.47Å; Y540-R554 WeakPolarHBondContact O-CD 3.18Å; Y540-R554 PolarHBondContact O-NE 3.36Å; Y544-R554 PolarHBondContact O-NH2 3.36Å; T545-R554 HydrophobicContact CG2-CG 4.11Å; R551-R554 VanDerWaalsContact O-CD 3.32Å; R551-R554 WeakPolarHBondContact O-CD 3.43Å; R554-D556 WeakPolarHBondContact CB-OD1 3.38Å; R554-D556 PolarHBondContact O-N 2.78Å; R554-I557 HydrophobicContact CB-CD1 4.19Å; R554-I557 HydrophobicContact CB-CG1 4.45Å; R554-I557 HydrophobicContact CG-CD1 4.32Å; R554-F558 PolarHBondContact O-N 3.03Å |
| 555 | C | 67.5 | Low | 56.1 | Low | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.054 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -19.3 | -178.2 | -57.9 | 0 | 0 | 0 | 0 | 115.2 | R181 S194 C539 Y540 G541 | R181-C555 PolarHBondContact NH1-SG 3.07Å; R181-C555 PolarHBondContact NH2-SG 3.38Å; S194-C555 VanDerWaalsContact CB-CB 3.44Å; C539-C555 HydrophobicContact CB-CB 4Å; C539-C555 WeakPolarHBondContact CB-SG 3.2Å; C539-C555 PolarHBondContact O-SG 3.41Å; C539-C555 WeakPolarHBondContact SG-CA 3.42Å; C539-C555 WeakPolarHBondContact SG-CB 3.44Å; C539-C555 CovalentContact SG-SG 2.04Å; C539-C555 PolarHBondContact SG-SG 3.16Å; Y540-C555 PolarHBondContact O-N 3.02Å; G541-C555 VanDerWaalsContact O-CB 3.27Å; G541-C555 WeakPolarHBondContact O-CB 3.45Å; G541-C555 PolarHBondContact O-SG 3.29Å |
| 556 | D | 60.8 | Low | 56.6 | Low | 57 Ų | 57 | 68.9 Ų | 68.9 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -31.8 | 176.6 | 62.5 | -34.8 | 0 | 0 | 0 | 112.7 | R554 | R554-D556 WeakPolarHBondContact CB-OD1 3.38Å; R554-D556 PolarHBondContact O-N 2.78Å |
| 557 | I | 53.3 | Low | 57.2 | Low | 61 Ų | 61 | 68.4 Ų | 68.4 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -40.3 | -178 | -67.3 | 169.4 | 0 | 0 | 0 | 111.3 | R554 Y566 | R554-I557 HydrophobicContact CB-CD1 4.19Å; R554-I557 HydrophobicContact CB-CG1 4.45Å; R554-I557 HydrophobicContact CG-CD1 4.32Å; I557-Y566 HydrophobicContact CG2-CE1 4.06Å; I557-Y566 HydrophobicContact CG2-CE2 4.46Å; I557-Y566 WeakPolarHBondContact CG2-OH 3.48Å |
| 558 | F | 52 | Low | 58.1 | Low | 25 Ų | 25 | 63.5 Ų | 63.5 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | trans | -159.1 | 111.4 | -164.8 | -167.7 | -109.5 | 0 | 0 | 0 | 112.8 | R554 Q562 T563 Y566 | R554-F558 PolarHBondContact O-N 3.03Å; F558-Q562 HydrophobicContact CE2-CB 4.34Å; F558-T563 HydrophobicContact CZ-CG2 4.05Å; F558-T563 VanDerWaalsContact CZ-OG1 3.24Å; F558-T563 WeakPolarHBondContact CZ-OG1 3.44Å; F558-Y566 HydrophobicContact CD2-CD1 4.33Å; F558-Y566 HydrophobicContact CD2-CG 4.48Å | ||
| 559 | L | 55.4 | Low | 59.1 | Low | 73 Ų | 73 | 68.7 Ų | 68.7 | 38% | 0.382 | 35% | 0.346 | S | S | . | . | trans | -78.5 | 137.9 | 156.9 | -68.3 | 168.5 | 0 | 0 | 0 | 107.6 | S561 | L559-S561 PolarHBondContact O-N 3.34Š| ||
| 560 | P | 50.3 | Low | 60.3 | Low | 94 Ų | 94 | 59.6 Ų | 59.6 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -2.6 | -175.3 | -31.6 | 35.9 | 0 | 0 | 0 | 119.1 | ||
| 561 | S | 48.2 | Very low | 60.9 | Low | 102 Ų | 102 | 59.5 Ų | 59.5 | 71% | 0.713 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 3.9 | -172.7 | 56.7 | 0 | 0 | 0 | 0 | 117.3 | L559 | L559-S561 PolarHBondContact O-N 3.34Š|
| 562 | Q | 50.6 | Low | 61.7 | Low | 151 Ų | 151 | 63.7 Ų | 63.7 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | trans | -129.8 | 30.2 | -172.4 | -62.6 | -166.2 | -5.8 | 0 | 0 | 117.6 | F558 | F558-Q562 HydrophobicContact CE2-CB 4.34Š| ||
| 563 | T | 54.3 | Low | 62.7 | Low | 27 Ų | 27 | 63 Ų | 63 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -60.9 | -161.9 | -34 | 0 | 0 | 0 | 0 | 118.1 | F558 N565 Y566 V567 M627 | F558-T563 HydrophobicContact CZ-CG2 4.05Å; F558-T563 VanDerWaalsContact CZ-OG1 3.24Å; F558-T563 WeakPolarHBondContact CZ-OG1 3.44Å; T563-N565 PolarHBondContact O-N 3.33Å; T563-Y566 WeakPolarHBondContact O-CB 3.4Å; T563-Y566 PolarHBondContact O-N 2.86Å; T563-V567 WeakPolarHBondContact O-CG2 3.42Å; T563-V567 PolarHBondContact O-N 2.82Å; T563-M627 HydrophobicContact CG2-CB 4.1Å |
| 564 | E | 53 | Low | 63.7 | Low | 109 Ų | 109 | 62.2 Ų | 62.2 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | -164.7 | -69.6 | -176.4 | 162 | 0 | 0 | 114.6 | Y566 V567 A568 | E564-Y566 VanDerWaalsContact C-N 3.3Å; E564-Y566 PolarHBondContact O-N 3.49Å; E564-V567 PolarHBondContact O-N 2.53Å; E564-A568 PolarHBondContact O-N 2.94Å |
| 565 | N | 57.8 | Low | 64.2 | Low | 135 Ų | 135 | 63.9 Ų | 63.9 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.3 | -31.6 | 177.5 | -82.3 | -18.5 | 0 | 0 | 0 | 112.4 | T563 K569 | T563-N565 PolarHBondContact O-N 3.33Å; N565-K569 PolarHBondContact O-N 3.23Å |
| 566 | Y | 61.7 | Low | 65 | Low | 73 Ų | 73 | 68.6 Ų | 68.6 | 29% | 0.286 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 176.1 | 179.2 | -104.5 | 0 | 0 | 0 | 111.2 | I557 F558 T563 E564 A568 K569 L570 V623 | I557-Y566 HydrophobicContact CG2-CE1 4.06Å; I557-Y566 HydrophobicContact CG2-CE2 4.46Å; I557-Y566 WeakPolarHBondContact CG2-OH 3.48Å; F558-Y566 HydrophobicContact CD2-CD1 4.33Å; F558-Y566 HydrophobicContact CD2-CG 4.48Å; T563-Y566 WeakPolarHBondContact O-CB 3.4Å; T563-Y566 PolarHBondContact O-N 2.86Å; E564-Y566 VanDerWaalsContact C-N 3.3Å; E564-Y566 PolarHBondContact O-N 3.49Å; Y566-A568 VanDerWaalsContact C-N 3.35Å; Y566-A568 PolarHBondContact O-N 3.35Å; Y566-K569 PolarHBondContact O-N 2.9Å; Y566-L570 HydrophobicContact CE1-CB 4.48Å; Y566-L570 HydrophobicContact CE1-CD2 4Å; Y566-L570 WeakPolarHBondContact O-CB 3.15Å; Y566-L570 PolarHBondContact O-N 3.09Å; Y566-V623 HydrophobicContact CE1-CG2 4.3Å |
| 567 | V | 66.3 | Low | 66.1 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 179.6 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | T563 E564 L570 M571 V623 L628 L633 V637 | T563-V567 WeakPolarHBondContact O-CG2 3.42Å; T563-V567 PolarHBondContact O-N 2.82Å; E564-V567 PolarHBondContact O-N 2.53Å; V567-L570 PolarHBondContact O-N 3.01Å; V567-M571 WeakPolarHBondContact O-CB 3.3Å; V567-M571 WeakPolarHBondContact O-CG 3.34Å; V567-M571 PolarHBondContact O-N 3.35Å; V567-V623 HydrophobicContact CB-CG1 4.35Å; V567-V623 HydrophobicContact CG1-CG1 4.27Å; V567-V623 HydrophobicContact CG2-CB 4.44Å; V567-V623 HydrophobicContact CG2-CG1 3.22Å; V567-V623 HydrophobicContact CG2-CG2 4.4Å; V567-L628 HydrophobicContact CB-CD2 4.01Å; V567-L628 HydrophobicContact CG1-CD1 4.07Å; V567-L628 HydrophobicContact CG1-CD2 3.91Å; V567-L628 HydrophobicContact CG2-CD1 4.28Å; V567-L628 HydrophobicContact CG2-CD2 3.83Å; V567-L628 HydrophobicContact CG2-CG 4.27Å; V567-L633 HydrophobicContact CG1-CD2 4.47Å; V567-V637 HydrophobicContact CG1-CG2 4.48Å |
| 568 | A | 66.1 | Low | 67.6 | Low | 40 Ų | 40 | 66 Ų | 66 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E564 Y566 Q572 | E564-A568 PolarHBondContact O-N 2.94Å; Y566-A568 VanDerWaalsContact C-N 3.35Å; Y566-A568 PolarHBondContact O-N 3.35Å; A568-Q572 WeakPolarHBondContact O-CG 3.38Å; A568-Q572 PolarHBondContact O-N 3.18Å |
| 569 | K | 73.1 | Confident | 69.2 | Low | 147 Ų | 147 | 65.7 Ų | 65.7 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.3 | -39 | 174.8 | -72.6 | -178 | 180 | -179.2 | 0 | 112.3 | N565 Y566 M571 Q572 A573 | N565-K569 PolarHBondContact O-N 3.23Å; Y566-K569 PolarHBondContact O-N 2.9Å; K569-M571 VanDerWaalsContact C-N 3.35Å; K569-Q572 PolarHBondContact O-N 3.37Å; K569-A573 PolarHBondContact O-N 2.92Å |
| 570 | L | 75.3 | Confident | 70.7 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.3 | -168.4 | 71.2 | 0 | 0 | 0 | 111.2 | Y566 V567 A573 Y574 W616 L620 V623 | Y566-L570 HydrophobicContact CE1-CB 4.48Å; Y566-L570 HydrophobicContact CE1-CD2 4Å; Y566-L570 WeakPolarHBondContact O-CB 3.15Å; Y566-L570 PolarHBondContact O-N 3.09Å; V567-L570 PolarHBondContact O-N 3.01Å; L570-A573 PolarHBondContact O-N 3.03Å; L570-Y574 VanDerWaalsContact O-CB 3.25Å; L570-Y574 WeakPolarHBondContact O-CB 3.5Å; L570-Y574 PolarHBondContact O-N 3.09Å; L570-W616 HydrophobicContact CD1-CZ3 3.96Å; L570-L620 HydrophobicContact CD2-CD2 3.85Å; L570-L620 HydrophobicContact CG-CD2 4.16Å; L570-V623 HydrophobicContact CD2-CG2 3.47Å; L570-V623 VanDerWaalsContact CD2-CG2 3.47Å |
| 571 | M | 77.3 | Confident | 72.3 | Confident | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 172 | -80.3 | -59.1 | -44.8 | 0 | 0 | 112.2 | V567 K569 A573 Y574 D575 L620 L633 A636 V637 V920 | V567-M571 WeakPolarHBondContact O-CB 3.3Å; V567-M571 WeakPolarHBondContact O-CG 3.34Å; V567-M571 PolarHBondContact O-N 3.35Å; K569-M571 VanDerWaalsContact C-N 3.35Å; M571-A573 VanDerWaalsContact C-N 3.35Å; M571-A573 PolarHBondContact O-N 3.35Å; M571-Y574 HydrophobicContact CE-CD1 4.34Å; M571-Y574 WeakPolarHBondContact O-CB 3.19Å; M571-Y574 PolarHBondContact O-N 3.15Å; M571-D575 WeakPolarHBondContact O-CB 3.35Å; M571-D575 PolarHBondContact O-N 3.39Å; M571-L620 HydrophobicContact CG-CD2 4.42Å; M571-L620 HydrophobicContact SD-CD1 4.03Å; M571-L620 HydrophobicContact SD-CD2 3.71Å; M571-L633 HydrophobicContact CG-CD2 3.9Å; M571-A636 HydrophobicContact CE-CB 3.84Å; M571-A636 HydrophobicContact SD-CB 4.09Å; M571-V637 HydrophobicContact SD-CG2 4.47Å; M571-V920 HydrophobicContact CE-CG1 4.19Å; M571-V920 HydrophobicContact CE-CG2 4.38Å |
| 572 | Q | 79.5 | Confident | 74 | Confident | 136 Ų | 136 | 58 Ų | 58 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 175.4 | -71 | 173.1 | -7.6 | 0 | 0 | 112.2 | A568 K569 L576 | A568-Q572 WeakPolarHBondContact O-CG 3.38Å; A568-Q572 PolarHBondContact O-N 3.18Å; K569-Q572 PolarHBondContact O-N 3.37Å; Q572-L576 PolarHBondContact O-N 2.6Å; Q572-L576 VanDerWaalsContact O-N 3.14Å |
| 573 | A | 80.2 | Confident | 75.8 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.6 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K569 L570 M571 L576 N577 W616 | K569-A573 PolarHBondContact O-N 2.92Å; L570-A573 PolarHBondContact O-N 3.03Å; M571-A573 VanDerWaalsContact C-N 3.35Å; M571-A573 PolarHBondContact O-N 3.35Å; A573-L576 PolarHBondContact O-N 2.93Å; A573-N577 PolarHBondContact O-N 3.32Å; A573-N577 PolarHBondContact O-ND2 3.43Å; A573-W616 HydrophobicContact CB-CH2 3.66Å; A573-W616 HydrophobicContact CB-CZ3 3.88Å |
| 574 | Y | 83.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57 | -51.7 | 171.2 | 174.3 | -80.9 | 0 | 0 | 0 | 109.9 | L570 M571 L576 N577 V578 W616 L620 A640 I919 V920 | L570-Y574 VanDerWaalsContact O-CB 3.25Å; L570-Y574 WeakPolarHBondContact O-CB 3.5Å; L570-Y574 PolarHBondContact O-N 3.09Å; M571-Y574 HydrophobicContact CE-CD1 4.34Å; M571-Y574 WeakPolarHBondContact O-CB 3.19Å; M571-Y574 PolarHBondContact O-N 3.15Å; Y574-L576 VanDerWaalsContact C-N 3.34Å; Y574-L576 PolarHBondContact O-N 3.48Å; Y574-N577 PolarHBondContact O-N 3.45Å; Y574-V578 HydrophobicContact CD1-CG2 4.25Å; Y574-V578 HydrophobicContact CD2-CG2 4.1Å; Y574-V578 HydrophobicContact CE1-CB 4.33Å; Y574-V578 HydrophobicContact CE1-CG2 3.99Å; Y574-V578 HydrophobicContact CE2-CG2 3.84Å; Y574-V578 HydrophobicContact CG-CG2 4.27Å; Y574-V578 WeakPolarHBondContact O-CB 3.27Å; Y574-V578 WeakPolarHBondContact O-CG2 3.32Å; Y574-V578 PolarHBondContact O-N 3.24Å; Y574-W616 HydrophobicContact CD2-CB 3.55Å; Y574-W616 HydrophobicContact CD2-CD2 4.5Å; Y574-W616 HydrophobicContact CD2-CE3 4.25Å; Y574-W616 HydrophobicContact CD2-CG 4.26Å; Y574-W616 HydrophobicContact CE2-CB 3.72Å; Y574-L620 HydrophobicContact CD1-CD1 4.46Å; Y574-L620 HydrophobicContact CD2-CD1 3.23Å; Y574-L620 HydrophobicContact CD2-CG 3.93Å; Y574-L620 HydrophobicContact CE2-CD1 3.49Å; Y574-L620 VanDerWaalsContact CE2-CD1 3.49Å; Y574-L620 HydrophobicContact CE2-CG 4.48Å; Y574-L620 HydrophobicContact CG-CD1 3.81Å; Y574-A640 HydrophobicContact CE2-CB 4.1Å; Y574-I919 HydrophobicContact CD1-CG2 3.85Å; Y574-I919 HydrophobicContact CE1-CG2 3.45Å; Y574-I919 VanDerWaalsContact CE1-CG2 3.45Å; Y574-V920 HydrophobicContact CD1-CG1 3.94Å; Y574-V920 HydrophobicContact CE1-CG1 3.2Å |
| 575 | D | 82.7 | Confident | 78.8 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.9 | -48.8 | 179.4 | -78.9 | -24.6 | 0 | 0 | 0 | 111.3 | M571 T579 S918 I919 | M571-D575 WeakPolarHBondContact O-CB 3.35Å; M571-D575 PolarHBondContact O-N 3.39Å; D575-T579 WeakPolarHBondContact O-CB 3.47Å; D575-T579 PolarHBondContact O-N 3.33Å; D575-T579 PolarHBondContact O-OG1 2.72Å; D575-S918 WeakPolarHBondContact OD1-CB 3.43Å; D575-S918 PolarHBondContact OD1-OG 2.96Å; D575-S918 WeakPolarHBondContact OD2-CB 3.47Å; D575-S918 PolarHBondContact OD2-OG 3.37Å; D575-S918 VanDerWaalsContact OD2-OG 3.09Å; D575-I919 WeakPolarHBondContact OD1-CG2 3.41Å; D575-I919 PolarHBondContact OD1-N 2.72Å |
| 576 | L | 83.8 | Confident | 80.3 | Confident | 108 Ų | 108 | 50 Ų | 50 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.8 | -47.6 | -178.6 | -174.6 | 66.7 | 0 | 0 | 0 | 112.5 | Q572 A573 Y574 N580 | Q572-L576 PolarHBondContact O-N 2.6Å; Q572-L576 VanDerWaalsContact O-N 3.14Å; A573-L576 PolarHBondContact O-N 2.93Å; Y574-L576 VanDerWaalsContact C-N 3.34Å; Y574-L576 PolarHBondContact O-N 3.48Å; L576-N580 VanDerWaalsContact O-CG 3.24Å; L576-N580 PolarHBondContact O-N 3.25Å; L576-N580 VanDerWaalsContact O-N 3.15Å; L576-N580 PolarHBondContact O-OD1 2.93Å |
| 577 | N | 84 | Confident | 81.5 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76.5 | -40.8 | -173.9 | -73.8 | -73.1 | 0 | 0 | 0 | 113.2 | A573 Y574 T579 N580 S581 N612 W616 | A573-N577 PolarHBondContact O-N 3.32Å; A573-N577 PolarHBondContact O-ND2 3.43Å; Y574-N577 PolarHBondContact O-N 3.45Å; N577-T579 VanDerWaalsContact C-N 3.3Å; N577-N580 PolarHBondContact O-N 2.79Å; N577-S581 PolarHBondContact O-N 3.31Å; N577-S581 VanDerWaalsContact O-N 3.09Å; N577-N612 PolarHBondContact O-ND2 2.82Å; N577-W616 HydrophobicContact CB-CD2 4.4Å; N577-W616 VanDerWaalsContact CB-CE2 3.49Å; N577-W616 HydrophobicContact CB-CZ2 3.74Å; N577-W616 VanDerWaalsContact CG-CZ2 3.47Å; N577-W616 WeakPolarHBondContact ND2-CZ2 3.37Å |
| 578 | V | 84.4 | Confident | 82.4 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 176 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | Y574 N580 S581 M582 W616 I919 | Y574-V578 HydrophobicContact CD1-CG2 4.25Å; Y574-V578 HydrophobicContact CD2-CG2 4.1Å; Y574-V578 HydrophobicContact CE1-CB 4.33Å; Y574-V578 HydrophobicContact CE1-CG2 3.99Å; Y574-V578 HydrophobicContact CE2-CG2 3.84Å; Y574-V578 HydrophobicContact CG-CG2 4.27Å; Y574-V578 WeakPolarHBondContact O-CB 3.27Å; Y574-V578 WeakPolarHBondContact O-CG2 3.32Å; Y574-V578 PolarHBondContact O-N 3.24Å; V578-N580 PolarHBondContact O-N 2.6Å; V578-S581 PolarHBondContact O-N 2.84Å; V578-M582 HydrophobicContact CG1-CG 4.03Å; V578-M582 VanDerWaalsContact O-CB 3.3Å; V578-M582 WeakPolarHBondContact O-CB 3.39Å; V578-M582 WeakPolarHBondContact O-CG 3.08Å; V578-M582 PolarHBondContact O-N 3.4Å; V578-W616 HydrophobicContact CG2-CB 3.97Å; V578-W616 HydrophobicContact CG2-CG 4.13Å; V578-I919 HydrophobicContact CB-CG2 4.06Å; V578-I919 HydrophobicContact CG1-CG1 4.06Å; V578-I919 HydrophobicContact CG1-CG2 4.03Å |
| 579 | T | 85.9 | Confident | 83.2 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 172.7 | -64.3 | 0 | 0 | 0 | 0 | 112 | D575 N577 M582 Q583 F880 | D575-T579 WeakPolarHBondContact O-CB 3.47Å; D575-T579 PolarHBondContact O-N 3.33Å; D575-T579 PolarHBondContact O-OG1 2.72Å; N577-T579 VanDerWaalsContact C-N 3.3Å; T579-M582 PolarHBondContact O-N 3.02Å; T579-Q583 WeakPolarHBondContact O-CB 3.34Å; T579-Q583 WeakPolarHBondContact O-CG 3.15Å; T579-Q583 PolarHBondContact O-N 2.75Å; T579-F880 HydrophobicContact CG2-CB 4.05Å |
| 580 | N | 86.1 | Confident | 83.8 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 179.8 | -68.8 | -10.2 | 0 | 0 | 0 | 112.6 | L576 N577 V578 Q583 E584 | L576-N580 VanDerWaalsContact O-CG 3.24Å; L576-N580 PolarHBondContact O-N 3.25Å; L576-N580 VanDerWaalsContact O-N 3.15Å; L576-N580 PolarHBondContact O-OD1 2.93Å; N577-N580 PolarHBondContact O-N 2.79Å; V578-N580 PolarHBondContact O-N 2.6Å; N580-Q583 WeakPolarHBondContact O-CB 3.45Å; N580-Q583 PolarHBondContact O-N 2.99Å; N580-E584 PolarHBondContact O-N 2.9Å; N580-E584 VanDerWaalsContact O-N 3.1Å |
| 581 | S | 83.8 | Confident | 84.3 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -35.8 | 177.5 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | N577 V578 Q583 E584 M585 N612 | N577-S581 PolarHBondContact O-N 3.31Å; N577-S581 VanDerWaalsContact O-N 3.09Å; V578-S581 PolarHBondContact O-N 2.84Å; S581-Q583 VanDerWaalsContact C-N 3.32Å; S581-E584 PolarHBondContact O-N 3.02Å; S581-M585 WeakPolarHBondContact O-CB 3.35Å; S581-M585 PolarHBondContact O-N 2.92Å; S581-N612 WeakPolarHBondContact CB-ND2 3.45Å; S581-N612 PolarHBondContact OG-ND2 3.49Å |
| 582 | M | 84.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 172.8 | -70.1 | -62.9 | 129.5 | 0 | 0 | 110.8 | V578 T579 E584 M585 Q586 A609 Q613 F880 | V578-M582 HydrophobicContact CG1-CG 4.03Å; V578-M582 VanDerWaalsContact O-CB 3.3Å; V578-M582 WeakPolarHBondContact O-CB 3.39Å; V578-M582 WeakPolarHBondContact O-CG 3.08Å; V578-M582 PolarHBondContact O-N 3.4Å; T579-M582 PolarHBondContact O-N 3.02Å; M582-E584 PolarHBondContact O-N 3.27Å; M582-M585 HydrophobicContact CE-CE 4.34Å; M582-M585 PolarHBondContact O-N 2.87Å; M582-M585 HydrophobicContact SD-CE 3.46Å; M582-M585 WeakPolarHBondContact SD-CE 2.9Å; M582-M585 HydrophobicContact SD-SD 4.48Å; M582-Q586 WeakPolarHBondContact O-CB 3.36Å; M582-Q586 WeakPolarHBondContact O-CG 3.25Å; M582-Q586 PolarHBondContact O-N 3.42Å; M582-A609 HydrophobicContact CE-CB 3.73Å; M582-Q613 HydrophobicContact CE-CB 4.42Å; M582-F880 HydrophobicContact CB-CD2 3.47Å; M582-F880 VanDerWaalsContact CB-CD2 3.47Å; M582-F880 HydrophobicContact CB-CE2 3.54Å; M582-F880 HydrophobicContact CB-CG 4.18Å; M582-F880 HydrophobicContact CB-CZ 4.28Å; M582-F880 HydrophobicContact CG-CD2 4.49Å; M582-F880 HydrophobicContact CG-CE2 4.19Å |
| 583 | Q | 88.4 | Confident | 84.2 | Confident | 62 Ų | 62 | 41.3 Ų | 41.3 | 29% | 0.29 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.4 | -48.3 | 172 | -85.7 | 167.3 | 9.3 | 0 | 0 | 112.3 | T579 N580 S581 Q586 M587 M879 F880 | T579-Q583 WeakPolarHBondContact O-CB 3.34Å; T579-Q583 WeakPolarHBondContact O-CG 3.15Å; T579-Q583 PolarHBondContact O-N 2.75Å; N580-Q583 WeakPolarHBondContact O-CB 3.45Å; N580-Q583 PolarHBondContact O-N 2.99Å; S581-Q583 VanDerWaalsContact C-N 3.32Å; Q583-Q586 PolarHBondContact O-N 3.38Å; Q583-M587 VanDerWaalsContact O-CB 3.3Å; Q583-M587 WeakPolarHBondContact O-CB 3.38Å; Q583-M587 VanDerWaalsContact O-CG 3.22Å; Q583-M587 WeakPolarHBondContact O-CG 3.37Å; Q583-M587 PolarHBondContact O-N 2.93Å; Q583-M879 WeakPolarHBondContact CG-O 3.35Å; Q583-F880 HydrophobicContact CG-CB 4.21Å; Q583-F880 PolarHBondContact NE2-O 2.85Å |
| 584 | E | 85.9 | Confident | 84 | Confident | 129 Ų | 129 | 42.5 Ų | 42.5 | 60% | 0.603 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63.9 | -41 | 178.8 | -72.5 | 179.7 | 169.6 | 0 | 0 | 112.9 | N580 S581 M582 M587 S588 | N580-E584 PolarHBondContact O-N 2.9Å; N580-E584 VanDerWaalsContact O-N 3.1Å; S581-E584 PolarHBondContact O-N 3.02Å; M582-E584 PolarHBondContact O-N 3.27Å; E584-M587 PolarHBondContact O-N 3.01Å; E584-S588 WeakPolarHBondContact O-CB 3.38Å; E584-S588 PolarHBondContact O-N 3.24Å; E584-S588 PolarHBondContact O-OG 3.23Å |
| 585 | M | 85.4 | Confident | 83.4 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 14% | 0.138 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -51.8 | 175.6 | 179.4 | -175.4 | 74.8 | 0 | 0 | 111.3 | S581 M582 M587 S588 W589 S606 A609 | S581-M585 WeakPolarHBondContact O-CB 3.35Å; S581-M585 PolarHBondContact O-N 2.92Å; M582-M585 HydrophobicContact CE-CE 4.34Å; M582-M585 PolarHBondContact O-N 2.87Å; M582-M585 HydrophobicContact SD-CE 3.46Å; M582-M585 WeakPolarHBondContact SD-CE 2.9Å; M582-M585 HydrophobicContact SD-SD 4.48Å; M585-M587 VanDerWaalsContact C-N 3.27Å; M585-M587 PolarHBondContact O-N 3.05Å; M585-S588 PolarHBondContact O-N 3.45Å; M585-S588 VanDerWaalsContact O-N 3.12Å; M585-W589 PolarHBondContact O-N 2.64Å; M585-S606 PolarHBondContact SD-OG 3.01Å; M585-A609 HydrophobicContact CB-CB 3.7Å; M585-A609 HydrophobicContact CG-CB 4.09Å; M585-A609 HydrophobicContact SD-CB 3.63Å |
| 586 | Q | 87.6 | Confident | 83.1 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 179 | -63.6 | -69.8 | -36.1 | 0 | 0 | 110.7 | M582 Q583 S588 W590 W877 M879 F880 | M582-Q586 WeakPolarHBondContact O-CB 3.36Å; M582-Q586 WeakPolarHBondContact O-CG 3.25Å; M582-Q586 PolarHBondContact O-N 3.42Å; Q583-Q586 PolarHBondContact O-N 3.38Å; Q586-S588 PolarHBondContact O-N 2.87Å; Q586-W590 WeakPolarHBondContact O-CB 3.43Å; Q586-W590 PolarHBondContact O-N 3.33Å; Q586-W877 HydrophobicContact CB-CE3 4.26Å; Q586-W877 VanDerWaalsContact OE1-CZ3 3.29Å; Q586-M879 HydrophobicContact CB-CE 3.8Å; Q586-M879 HydrophobicContact CB-SD 3.96Å; Q586-F880 HydrophobicContact CG-CD2 4.01Å; Q586-F880 HydrophobicContact CG-CE2 3.78Å |
| 587 | M | 87.7 | Confident | 82.7 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 39% | 0.389 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 175 | -80.1 | -65.7 | -66.9 | 0 | 0 | 113.6 | Q583 E584 M585 S591 M879 R886 | Q583-M587 VanDerWaalsContact O-CB 3.3Å; Q583-M587 WeakPolarHBondContact O-CB 3.38Å; Q583-M587 VanDerWaalsContact O-CG 3.22Å; Q583-M587 WeakPolarHBondContact O-CG 3.37Å; Q583-M587 PolarHBondContact O-N 2.93Å; E584-M587 PolarHBondContact O-N 3.01Å; M585-M587 VanDerWaalsContact C-N 3.27Å; M585-M587 PolarHBondContact O-N 3.05Å; M587-S591 WeakPolarHBondContact O-CB 3.24Å; M587-S591 PolarHBondContact O-N 3.45Å; M587-S591 PolarHBondContact O-OG 3.13Å; M587-M879 HydrophobicContact CB-CE 4.36Å; M587-M879 HydrophobicContact CG-CE 3.64Å; M587-M879 HydrophobicContact SD-CE 3.47Å; M587-M879 WeakPolarHBondContact SD-CE 3.18Å; M587-R886 VanDerWaalsContact SD-CZ 3.6Å; M587-R886 PolarHBondContact SD-NH1 3.38Å; M587-R886 PolarHBondContact SD-NH2 2.75Å |
| 588 | S | 85.6 | Confident | 82.3 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.3 | -43 | -179.7 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | E584 M585 Q586 S591 F592 S605 | E584-S588 WeakPolarHBondContact O-CB 3.38Å; E584-S588 PolarHBondContact O-N 3.24Å; E584-S588 PolarHBondContact O-OG 3.23Å; M585-S588 PolarHBondContact O-N 3.45Å; M585-S588 VanDerWaalsContact O-N 3.12Å; Q586-S588 PolarHBondContact O-N 2.87Å; S588-S591 WeakPolarHBondContact O-CB 3.32Å; S588-S591 PolarHBondContact O-N 3.3Å; S588-F592 PolarHBondContact O-N 3.34Å; S588-S605 VanDerWaalsContact CB-CB 3.47Å; S588-S605 WeakPolarHBondContact CB-OG 3.48Å |
| 589 | W | 83.4 | Confident | 81.6 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 171.4 | -82.9 | 100.6 | 0 | 0 | 0 | 113 | M585 S591 F592 A593 L599 A602 S606 W877 | M585-W589 PolarHBondContact O-N 2.64Å; W589-S591 VanDerWaalsContact C-N 3.29Å; W589-S591 PolarHBondContact O-N 3.49Å; W589-F592 AromaticContact CE3-CD1 3.77Å; W589-F592 HydrophobicContact CE3-CD1 3.77Å; W589-F592 HydrophobicContact CE3-CE1 4.35Å; W589-F592 AromaticContact CZ3-CD1 3.78Å; W589-F592 HydrophobicContact CZ3-CD1 3.78Å; W589-F592 AromaticContact CZ3-CE1 3.91Å; W589-F592 HydrophobicContact CZ3-CE1 3.91Å; W589-F592 PolarHBondContact O-N 2.6Å; W589-A593 VanDerWaalsContact O-CB 3.26Å; W589-A593 WeakPolarHBondContact O-CB 3.48Å; W589-A593 PolarHBondContact O-N 2.92Å; W589-L599 HydrophobicContact CH2-CD1 4.14Å; W589-L599 HydrophobicContact CZ3-CD1 4.3Å; W589-A602 HydrophobicContact CD2-CB 3.73Å; W589-A602 HydrophobicContact CE3-CB 3.94Å; W589-A602 HydrophobicContact CG-CB 4.09Å; W589-A602 HydrophobicContact CH2-CB 4.44Å; W589-A602 HydrophobicContact CZ2-CB 4.26Å; W589-A602 HydrophobicContact CZ3-CB 4.28Å; W589-S606 PolarHBondContact NE1-OG 2.95Å; W589-W877 HydrophobicContact CB-CE3 4.37Å; W589-W877 HydrophobicContact CB-CH2 3.34Å; W589-W877 HydrophobicContact CB-CZ2 4.48Å; W589-W877 HydrophobicContact CB-CZ3 3.25Å; W589-W877 HydrophobicContact CG-CH2 4.06Å; W589-W877 HydrophobicContact CG-CZ3 4.1Å |
| 590 | W | 85.8 | Confident | 81 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 172 | 178.2 | -98.5 | 0 | 0 | 0 | 111.2 | Q586 A593 K594 N860 D862 W877 R886 L888 | Q586-W590 WeakPolarHBondContact O-CB 3.43Å; Q586-W590 PolarHBondContact O-N 3.33Å; W590-A593 PolarHBondContact O-N 3.26Å; W590-K594 HydrophobicContact CZ2-CD 4.3Å; W590-K594 HydrophobicContact CZ2-CG 4.3Å; W590-K594 WeakPolarHBondContact O-CB 3.43Å; W590-K594 VanDerWaalsContact O-CG 3.32Å; W590-K594 WeakPolarHBondContact O-CG 3.34Å; W590-K594 PolarHBondContact O-N 3.23Å; W590-N860 WeakPolarHBondContact CZ2-O 3.47Å; W590-D862 HydrophobicContact CH2-CB 4.44Å; W590-W877 AromaticContact CE3-CD1 3.88Å; W590-W877 HydrophobicContact CE3-CD2 4.36Å; W590-W877 HydrophobicContact CE3-CG 4.1Å; W590-W877 AromaticContact CZ3-CD1 3.93Å; W590-R886 HydrophobicContact CE3-CB 4.04Å; W590-R886 HydrophobicContact CH2-CB 3.93Å; W590-R886 HydrophobicContact CZ2-CB 4.41Å; W590-R886 HydrophobicContact CZ3-CB 3.72Å; W590-L888 HydrophobicContact CH2-CB 4.36Å; W590-L888 HydrophobicContact CZ3-CB 4.08Å |
| 591 | S | 83.9 | Confident | 80.5 | Confident | 21 Ų | 21 | 53 Ų | 53 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | M587 S588 W589 K594 G595 N596 K597 | M587-S591 WeakPolarHBondContact O-CB 3.24Å; M587-S591 PolarHBondContact O-N 3.45Å; M587-S591 PolarHBondContact O-OG 3.13Å; S588-S591 WeakPolarHBondContact O-CB 3.32Å; S588-S591 PolarHBondContact O-N 3.3Å; W589-S591 VanDerWaalsContact C-N 3.29Å; W589-S591 PolarHBondContact O-N 3.49Å; S591-K594 PolarHBondContact O-N 3.33Å; S591-G595 PolarHBondContact O-N 2.69Å; S591-N596 WeakPolarHBondContact O-CA 3.13Å; S591-N596 WeakPolarHBondContact O-CB 3.29Å; S591-N596 PolarHBondContact O-N 3.46Å; S591-K597 PolarHBondContact O-N 3.27Å |
| 592 | F | 79.7 | Confident | 80.1 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -47.2 | 174.1 | 169 | -112 | 0 | 0 | 0 | 111.6 | S588 W589 K594 G595 K597 L599 A602 V665 L669 | S588-F592 PolarHBondContact O-N 3.34Å; W589-F592 AromaticContact CE3-CD1 3.77Å; W589-F592 HydrophobicContact CE3-CD1 3.77Å; W589-F592 HydrophobicContact CE3-CE1 4.35Å; W589-F592 AromaticContact CZ3-CD1 3.78Å; W589-F592 HydrophobicContact CZ3-CD1 3.78Å; W589-F592 AromaticContact CZ3-CE1 3.91Å; W589-F592 HydrophobicContact CZ3-CE1 3.91Å; W589-F592 PolarHBondContact O-N 2.6Å; F592-K594 PolarHBondContact O-N 3.05Å; F592-G595 WeakPolarHBondContact O-CA 3.18Å; F592-G595 PolarHBondContact O-N 3.28Å; F592-K597 WeakPolarHBondContact CD2-O 3.45Å; F592-L599 HydrophobicContact CD1-CD1 4.41Å; F592-L599 VanDerWaalsContact CD2-CA 3.49Å; F592-L599 HydrophobicContact CD2-CB 4.21Å; F592-L599 HydrophobicContact CE1-CB 4.5Å; F592-L599 HydrophobicContact CE1-CD1 3.68Å; F592-L599 HydrophobicContact CE2-CB 3.49Å; F592-L599 VanDerWaalsContact CE2-CB 3.49Å; F592-L599 HydrophobicContact CE2-CD1 4.24Å; F592-L599 HydrophobicContact CE2-CG 4.44Å; F592-L599 HydrophobicContact CZ-CB 3.65Å; F592-L599 HydrophobicContact CZ-CD1 3.58Å; F592-L599 HydrophobicContact CZ-CG 4.13Å; F592-A602 HydrophobicContact CB-CB 3.73Å; F592-A602 HydrophobicContact CD1-CB 4.23Å; F592-A602 HydrophobicContact CG-CB 4.03Å; F592-V665 HydrophobicContact CE1-CG1 4.38Å; F592-L669 HydrophobicContact CD1-CD1 4.32Å; F592-L669 HydrophobicContact CE1-CD1 3.32Å; F592-L669 HydrophobicContact CE2-CD1 4.32Å; F592-L669 HydrophobicContact CZ-CD1 3.32Å |
| 593 | A | 75.2 | Confident | 79.7 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 12% | 0.116 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.7 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W589 W590 G595 Y867 L888 | W589-A593 VanDerWaalsContact O-CB 3.26Å; W589-A593 WeakPolarHBondContact O-CB 3.48Å; W589-A593 PolarHBondContact O-N 2.92Å; W590-A593 PolarHBondContact O-N 3.26Å; A593-G595 VanDerWaalsContact C-N 3.26Å; A593-G595 PolarHBondContact O-N 3.21Å; A593-Y867 PolarHBondContact O-OH 3.31Å; A593-L888 HydrophobicContact CB-CD2 4.19Å |
| 594 | K | 76.8 | Confident | 79.2 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -3.7 | 174.2 | -74.5 | -71 | -56.2 | -172.5 | 0 | 115 | W590 S591 F592 N596 D862 | W590-K594 HydrophobicContact CZ2-CD 4.3Å; W590-K594 HydrophobicContact CZ2-CG 4.3Å; W590-K594 WeakPolarHBondContact O-CB 3.43Å; W590-K594 VanDerWaalsContact O-CG 3.32Å; W590-K594 WeakPolarHBondContact O-CG 3.34Å; W590-K594 PolarHBondContact O-N 3.23Å; S591-K594 PolarHBondContact O-N 3.33Å; F592-K594 PolarHBondContact O-N 3.05Å; K594-N596 VanDerWaalsContact C-N 3.3Å; K594-N596 PolarHBondContact O-N 2.83Å; K594-D862 HydrophobicContact CD-CB 4.15Å; K594-D862 WeakPolarHBondContact CD-OD2 3.36Å; K594-D862 VanDerWaalsContact NZ-CG 3.29Å; K594-D862 IonicContact NZ-OD2 2.61Å; K594-D862 PolarHBondContact NZ-OD2 3.01Å |
| 595 | G | 70.2 | Confident | 79 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 63% | 0.629 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 8.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S591 F592 A593 | S591-G595 PolarHBondContact O-N 2.69Å; F592-G595 WeakPolarHBondContact O-CA 3.18Å; F592-G595 PolarHBondContact O-N 3.28Å; A593-G595 VanDerWaalsContact C-N 3.26Å; A593-G595 PolarHBondContact O-N 3.21Å |
| 596 | N | 75.6 | Confident | 78.6 | Confident | 123 Ų | 123 | 50.3 Ų | 50.3 | 66% | 0.658 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -86.3 | -14 | -177.1 | -68.6 | -16.6 | 0 | 0 | 0 | 113.7 | S591 K594 | S591-N596 WeakPolarHBondContact O-CA 3.13Å; S591-N596 WeakPolarHBondContact O-CB 3.29Å; S591-N596 PolarHBondContact O-N 3.46Å; K594-N596 VanDerWaalsContact C-N 3.3Å; K594-N596 PolarHBondContact O-N 2.83Å |
| 597 | K | 75.4 | Confident | 78 | Confident | 91 Ų | 91 | 50 Ų | 50 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -138.2 | 161.2 | 178.8 | -75.3 | -170.9 | 175.5 | -172 | 0 | 109.9 | S591 F592 T601 | S591-K597 PolarHBondContact O-N 3.27Å; F592-K597 WeakPolarHBondContact CD2-O 3.45Å; K597-T601 HydrophobicContact CD-CG2 3.74Å |
| 598 | S | 75.7 | Confident | 77.6 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | trans | -77.5 | 158.9 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | D600 T601 A602 | S598-D600 PolarHBondContact O-N 2.84Å; S598-T601 PolarHBondContact O-N 2.79Å; S598-T601 PolarHBondContact OG-N 2.95Å; S598-T601 PolarHBondContact OG-OG1 3.34Å; S598-A602 PolarHBondContact O-N 3.17Å | ||
| 599 | L | 71.6 | Confident | 77.3 | Confident | 37 Ų | 37 | 48 Ų | 48 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.8 | -41.2 | 171.9 | 176.8 | 59.9 | 0 | 0 | 0 | 110.4 | W589 F592 T601 A602 M603 V665 | W589-L599 HydrophobicContact CH2-CD1 4.14Å; W589-L599 HydrophobicContact CZ3-CD1 4.3Å; F592-L599 HydrophobicContact CD1-CD1 4.41Å; F592-L599 VanDerWaalsContact CD2-CA 3.49Å; F592-L599 HydrophobicContact CD2-CB 4.21Å; F592-L599 HydrophobicContact CE1-CB 4.5Å; F592-L599 HydrophobicContact CE1-CD1 3.68Å; F592-L599 HydrophobicContact CE2-CB 3.49Å; F592-L599 VanDerWaalsContact CE2-CB 3.49Å; F592-L599 HydrophobicContact CE2-CD1 4.24Å; F592-L599 HydrophobicContact CE2-CG 4.44Å; F592-L599 HydrophobicContact CZ-CB 3.65Å; F592-L599 HydrophobicContact CZ-CD1 3.58Å; F592-L599 HydrophobicContact CZ-CG 4.13Å; L599-T601 VanDerWaalsContact C-N 3.29Å; L599-T601 PolarHBondContact O-N 3.43Å; L599-A602 PolarHBondContact O-N 3.36Å; L599-A602 VanDerWaalsContact O-N 3.15Å; L599-M603 HydrophobicContact CD1-CG 4.07Å; L599-M603 HydrophobicContact CD1-SD 4.16Å; L599-M603 HydrophobicContact CD2-SD 4.2Å; L599-M603 HydrophobicContact CG-CG 4.19Å; L599-M603 HydrophobicContact CG-SD 3.77Å; L599-M603 WeakPolarHBondContact O-CG 3.37Å; L599-M603 PolarHBondContact O-N 3.41Å; L599-V665 HydrophobicContact CD1-CG1 4.43Å |
| 600 | D | 72.4 | Confident | 76.7 | Confident | 101 Ų | 101 | 46.6 Ų | 46.6 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.3 | -44.4 | 176.2 | -61.5 | -42.4 | 0 | 0 | 0 | 111.7 | S598 A602 M603 H604 | S598-D600 PolarHBondContact O-N 2.84Å; D600-A602 VanDerWaalsContact C-N 3.32Å; D600-A602 PolarHBondContact O-N 3.16Å; D600-M603 PolarHBondContact O-N 2.84Å; D600-H604 WeakPolarHBondContact O-CB 3.15Å; D600-H604 PolarHBondContact O-N 3.35Å; D600-H604 PolarHBondContact O-ND1 3.22Å |
| 601 | T | 76.4 | Confident | 76 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | -178 | -47.6 | 0 | 0 | 0 | 0 | 111.6 | K597 S598 L599 S605 | K597-T601 HydrophobicContact CD-CG2 3.74Å; S598-T601 PolarHBondContact O-N 2.79Å; S598-T601 PolarHBondContact OG-N 2.95Å; S598-T601 PolarHBondContact OG-OG1 3.34Å; L599-T601 VanDerWaalsContact C-N 3.29Å; L599-T601 PolarHBondContact O-N 3.43Å; T601-S605 PolarHBondContact O-N 2.97Å; T601-S605 VanDerWaalsContact O-N 3.1Å |
| 602 | A | 75.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W589 F592 S598 L599 D600 H604 S605 S606 | W589-A602 HydrophobicContact CD2-CB 3.73Å; W589-A602 HydrophobicContact CE3-CB 3.94Å; W589-A602 HydrophobicContact CG-CB 4.09Å; W589-A602 HydrophobicContact CH2-CB 4.44Å; W589-A602 HydrophobicContact CZ2-CB 4.26Å; W589-A602 HydrophobicContact CZ3-CB 4.28Å; F592-A602 HydrophobicContact CB-CB 3.73Å; F592-A602 HydrophobicContact CD1-CB 4.23Å; F592-A602 HydrophobicContact CG-CB 4.03Å; S598-A602 PolarHBondContact O-N 3.17Å; L599-A602 PolarHBondContact O-N 3.36Å; L599-A602 VanDerWaalsContact O-N 3.15Å; D600-A602 VanDerWaalsContact C-N 3.32Å; D600-A602 PolarHBondContact O-N 3.16Å; A602-H604 PolarHBondContact O-N 2.88Å; A602-S605 PolarHBondContact O-N 3.11Å; A602-S605 PolarHBondContact O-OG 3.22Å; A602-S606 PolarHBondContact O-N 2.9Å |
| 603 | M | 75.9 | Confident | 75.4 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 17% | 0.167 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 174.8 | -72.9 | 177.5 | 67.3 | 0 | 0 | 112 | L599 D600 S605 S606 L607 N657 | L599-M603 HydrophobicContact CD1-CG 4.07Å; L599-M603 HydrophobicContact CD1-SD 4.16Å; L599-M603 HydrophobicContact CD2-SD 4.2Å; L599-M603 HydrophobicContact CG-CG 4.19Å; L599-M603 HydrophobicContact CG-SD 3.77Å; L599-M603 WeakPolarHBondContact O-CG 3.37Å; L599-M603 PolarHBondContact O-N 3.41Å; D600-M603 PolarHBondContact O-N 2.84Å; M603-S605 VanDerWaalsContact C-N 3.33Å; M603-S605 PolarHBondContact O-N 3.14Å; M603-S606 WeakPolarHBondContact O-CB 3.28Å; M603-S606 PolarHBondContact O-N 3.45Å; M603-L607 WeakPolarHBondContact O-CG 3.45Å; M603-L607 PolarHBondContact O-N 3.24Å; M603-N657 HydrophobicContact CE-CB 4.34Å |
| 604 | H | 78.2 | Confident | 75.1 | Confident | 127 Ų | 127 | 51.3 Ų | 51.3 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 175.5 | -79 | 81 | 0 | 0 | 0 | 111.7 | D600 A602 S606 L607 A608 | D600-H604 WeakPolarHBondContact O-CB 3.15Å; D600-H604 PolarHBondContact O-N 3.35Å; D600-H604 PolarHBondContact O-ND1 3.22Å; A602-H604 PolarHBondContact O-N 2.88Å; H604-S606 VanDerWaalsContact C-N 3.33Å; H604-S606 PolarHBondContact O-N 3.2Å; H604-L607 PolarHBondContact O-N 3.24Å; H604-A608 WeakPolarHBondContact O-CB 3.5Å; H604-A608 PolarHBondContact O-N 3.28Å |
| 605 | S | 81.4 | Confident | 74.9 | Confident | 16 Ų | 16 | 52 Ų | 52 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 176.1 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | S588 T601 A602 M603 A608 A609 | S588-S605 VanDerWaalsContact CB-CB 3.47Å; S588-S605 WeakPolarHBondContact CB-OG 3.48Å; T601-S605 PolarHBondContact O-N 2.97Å; T601-S605 VanDerWaalsContact O-N 3.1Å; A602-S605 PolarHBondContact O-N 3.11Å; A602-S605 PolarHBondContact O-OG 3.22Å; M603-S605 VanDerWaalsContact C-N 3.33Å; M603-S605 PolarHBondContact O-N 3.14Å; S605-A608 PolarHBondContact O-N 2.89Å; S605-A609 VanDerWaalsContact O-CB 3.25Å; S605-A609 WeakPolarHBondContact O-CB 3.49Å; S605-A609 PolarHBondContact O-N 3.46Å |
| 606 | S | 76.8 | Confident | 74.9 | Confident | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 173.4 | -90.8 | 0 | 0 | 0 | 0 | 112.5 | M585 W589 A602 M603 H604 A609 A610 | M585-S606 PolarHBondContact SD-OG 3.01Å; W589-S606 PolarHBondContact NE1-OG 2.95Å; A602-S606 PolarHBondContact O-N 2.9Å; M603-S606 WeakPolarHBondContact O-CB 3.28Å; M603-S606 PolarHBondContact O-N 3.45Å; H604-S606 VanDerWaalsContact C-N 3.33Å; H604-S606 PolarHBondContact O-N 3.2Å; S606-A609 PolarHBondContact O-N 3.34Å; S606-A610 WeakPolarHBondContact O-CB 3.45Å; S606-A610 PolarHBondContact O-N 3.33Å |
| 607 | L | 74.7 | Confident | 74.4 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 173.8 | -72.8 | 169.3 | 0 | 0 | 0 | 110.1 | M603 H604 A609 A610 E611 A653 L656 | M603-L607 WeakPolarHBondContact O-CG 3.45Å; M603-L607 PolarHBondContact O-N 3.24Å; H604-L607 PolarHBondContact O-N 3.24Å; L607-A609 VanDerWaalsContact C-N 3.33Å; L607-A609 PolarHBondContact O-N 3.1Å; L607-A610 PolarHBondContact O-N 2.88Å; L607-E611 VanDerWaalsContact O-CB 3.26Å; L607-E611 WeakPolarHBondContact O-CB 3.24Å; L607-E611 WeakPolarHBondContact O-CG 3.46Å; L607-E611 PolarHBondContact O-N 2.97Å; L607-A653 HydrophobicContact CD1-CB 4.23Å; L607-A653 HydrophobicContact CD2-CB 4.16Å; L607-L656 HydrophobicContact CD2-CD1 3.69Å; L607-L656 HydrophobicContact CG-CD1 4.36Å |
| 608 | A | 78.7 | Confident | 73.9 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H604 S605 N612 | H604-A608 WeakPolarHBondContact O-CB 3.5Å; H604-A608 PolarHBondContact O-N 3.28Å; S605-A608 PolarHBondContact O-N 2.89Å; A608-N612 WeakPolarHBondContact O-CB 3.5Å; A608-N612 PolarHBondContact O-N 3.4Å |
| 609 | A | 79.6 | Confident | 73.5 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M582 M585 S605 S606 L607 N612 Q613 | M582-A609 HydrophobicContact CE-CB 3.73Å; M585-A609 HydrophobicContact CB-CB 3.7Å; M585-A609 HydrophobicContact CG-CB 4.09Å; M585-A609 HydrophobicContact SD-CB 3.63Å; S605-A609 VanDerWaalsContact O-CB 3.25Å; S605-A609 WeakPolarHBondContact O-CB 3.49Å; S605-A609 PolarHBondContact O-N 3.46Å; S606-A609 PolarHBondContact O-N 3.34Å; L607-A609 VanDerWaalsContact C-N 3.33Å; L607-A609 PolarHBondContact O-N 3.1Å; A609-N612 PolarHBondContact O-N 3.3Å; A609-Q613 VanDerWaalsContact O-CB 3.3Å; A609-Q613 WeakPolarHBondContact O-CB 3.36Å; A609-Q613 PolarHBondContact O-N 3.43Å |
| 610 | A | 72 | Confident | 73.2 | Confident | 35 Ų | 35 | 42 Ų | 42 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | S606 L607 Q613 Q614 L652 | S606-A610 WeakPolarHBondContact O-CB 3.45Å; S606-A610 PolarHBondContact O-N 3.33Å; L607-A610 PolarHBondContact O-N 2.88Å; A610-Q613 PolarHBondContact O-N 2.83Å; A610-Q614 WeakPolarHBondContact O-CB 3.43Å; A610-Q614 PolarHBondContact O-N 2.86Å; A610-L652 HydrophobicContact CB-CD2 4.42Å |
| 611 | E | 70.2 | Confident | 72.6 | Confident | 81 Ų | 81 | 41.9 Ų | 41.9 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 173.2 | -77 | 178.9 | 166.9 | 0 | 0 | 111.3 | L607 Q613 Q614 V615 T649 | L607-E611 VanDerWaalsContact O-CB 3.26Å; L607-E611 WeakPolarHBondContact O-CB 3.24Å; L607-E611 WeakPolarHBondContact O-CG 3.46Å; L607-E611 PolarHBondContact O-N 2.97Å; E611-Q613 PolarHBondContact O-N 3.38Å; E611-Q614 PolarHBondContact O-N 3.37Å; E611-V615 WeakPolarHBondContact O-CB 3.4Å; E611-V615 WeakPolarHBondContact O-CG2 3.45Å; E611-V615 PolarHBondContact O-N 3.39Å; E611-T649 WeakPolarHBondContact OE1-CG2 3.25Å; E611-T649 PolarHBondContact OE1-OG1 3.26Å |
| 612 | N | 77.9 | Confident | 71.6 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.9 | -171.5 | 42.7 | 0 | 0 | 0 | 111.6 | N577 S581 A608 A609 V615 W616 | N577-N612 PolarHBondContact O-ND2 2.82Å; S581-N612 WeakPolarHBondContact CB-ND2 3.45Å; S581-N612 PolarHBondContact OG-ND2 3.49Å; A608-N612 WeakPolarHBondContact O-CB 3.5Å; A608-N612 PolarHBondContact O-N 3.4Å; A609-N612 PolarHBondContact O-N 3.3Å; N612-V615 PolarHBondContact O-N 2.8Å; N612-W616 WeakPolarHBondContact O-CB 3.34Å; N612-W616 VanDerWaalsContact O-CD1 3.25Å; N612-W616 PolarHBondContact O-N 2.91Å; N612-W616 PolarHBondContact OD1-NE1 3.37Å |
| 613 | Q | 73.3 | Confident | 70.8 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 174.8 | -175.1 | 174.6 | -24.4 | 0 | 0 | 111.1 | M582 A609 A610 E611 W616 S617 V643 | M582-Q613 HydrophobicContact CE-CB 4.42Å; A609-Q613 VanDerWaalsContact O-CB 3.3Å; A609-Q613 WeakPolarHBondContact O-CB 3.36Å; A609-Q613 PolarHBondContact O-N 3.43Å; A610-Q613 PolarHBondContact O-N 2.83Å; E611-Q613 PolarHBondContact O-N 3.38Å; Q613-W616 PolarHBondContact O-N 2.77Å; Q613-S617 WeakPolarHBondContact O-CB 3.45Å; Q613-S617 PolarHBondContact O-N 3.4Å; Q613-V643 VanDerWaalsContact NE2-CG1 3.31Å |
| 614 | Q | 69.3 | Low | 69.8 | Low | 31 Ų | 31 | 44.9 Ų | 44.9 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.9 | -172.6 | 175.5 | 18.3 | 0 | 0 | 111.7 | A610 E611 W616 S617 E618 E644 | A610-Q614 WeakPolarHBondContact O-CB 3.43Å; A610-Q614 PolarHBondContact O-N 2.86Å; E611-Q614 PolarHBondContact O-N 3.37Å; Q614-W616 VanDerWaalsContact C-N 3.33Å; Q614-W616 PolarHBondContact O-N 3.24Å; Q614-S617 PolarHBondContact O-N 3.18Å; Q614-E618 VanDerWaalsContact O-CB 3.25Å; Q614-E618 WeakPolarHBondContact O-CB 3.32Å; Q614-E618 WeakPolarHBondContact O-CG 2.96Å; Q614-E618 PolarHBondContact O-N 3.36Å; Q614-E644 WeakPolarHBondContact CA-OE1 3.5Å |
| 615 | V | 71.6 | Confident | 68.7 | Low | 75 Ų | 75 | 40.5 Ų | 40.5 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 174.9 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | E611 N612 K619 | E611-V615 WeakPolarHBondContact O-CB 3.4Å; E611-V615 WeakPolarHBondContact O-CG2 3.45Å; E611-V615 PolarHBondContact O-N 3.39Å; N612-V615 PolarHBondContact O-N 2.8Å; V615-K619 VanDerWaalsContact O-CG 3.31Å; V615-K619 WeakPolarHBondContact O-CG 3.3Å; V615-K619 PolarHBondContact O-N 3.34Å |
| 616 | W | 70.1 | Confident | 67.3 | Low | 19 Ų | 19 | 45.7 Ų | 45.7 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77 | -35.6 | 179.8 | -86.2 | 104.3 | 0 | 0 | 0 | 113.7 | L570 A573 Y574 N577 V578 N612 Q613 Q614 K619 L620 | L570-W616 HydrophobicContact CD1-CZ3 3.96Å; A573-W616 HydrophobicContact CB-CH2 3.66Å; A573-W616 HydrophobicContact CB-CZ3 3.88Å; Y574-W616 HydrophobicContact CD2-CB 3.55Å; Y574-W616 HydrophobicContact CD2-CD2 4.5Å; Y574-W616 HydrophobicContact CD2-CE3 4.25Å; Y574-W616 HydrophobicContact CD2-CG 4.26Å; Y574-W616 HydrophobicContact CE2-CB 3.72Å; N577-W616 HydrophobicContact CB-CD2 4.4Å; N577-W616 VanDerWaalsContact CB-CE2 3.49Å; N577-W616 HydrophobicContact CB-CZ2 3.74Å; N577-W616 VanDerWaalsContact CG-CZ2 3.47Å; N577-W616 WeakPolarHBondContact ND2-CZ2 3.37Å; V578-W616 HydrophobicContact CG2-CB 3.97Å; V578-W616 HydrophobicContact CG2-CG 4.13Å; N612-W616 WeakPolarHBondContact O-CB 3.34Å; N612-W616 VanDerWaalsContact O-CD1 3.25Å; N612-W616 PolarHBondContact O-N 2.91Å; N612-W616 PolarHBondContact OD1-NE1 3.37Å; Q613-W616 PolarHBondContact O-N 2.77Å; Q614-W616 VanDerWaalsContact C-N 3.33Å; Q614-W616 PolarHBondContact O-N 3.24Å; W616-K619 HydrophobicContact CD2-CD 3.88Å; W616-K619 HydrophobicContact CE3-CB 4.36Å; W616-K619 HydrophobicContact CE3-CD 3.69Å; W616-K619 HydrophobicContact CG-CD 4.49Å; W616-K619 HydrophobicContact CH2-CD 4.22Å; W616-K619 HydrophobicContact CZ2-CD 4.35Å; W616-K619 HydrophobicContact CZ3-CD 3.9Å; W616-K619 CarbonylContact O-C 3.5Å; W616-K619 WeakPolarHBondContact O-CB 3.15Å; W616-K619 PolarHBondContact O-N 3.15Å; W616-L620 PolarHBondContact O-N 3.4Å |
| 617 | S | 66.5 | Low | 66.1 | Low | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 170.9 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | Q613 Q614 L620 K621 A640 E644 | Q613-S617 WeakPolarHBondContact O-CB 3.45Å; Q613-S617 PolarHBondContact O-N 3.4Å; Q614-S617 PolarHBondContact O-N 3.18Å; S617-L620 CarbonylContact O-C 3.47Å; S617-L620 PolarHBondContact O-N 3.18Å; S617-K621 WeakPolarHBondContact O-CB 3.47Å; S617-K621 PolarHBondContact O-N 3.22Å; S617-A640 PolarHBondContact OG-O 3.26Å; S617-E644 WeakPolarHBondContact CB-OE1 3.3Å; S617-E644 PolarHBondContact OG-OE1 3.41Å |
| 618 | E | 63.7 | Low | 65.4 | Low | 62 Ų | 62 | 48.2 Ų | 48.2 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 170.3 | -77.8 | -67.5 | 149.7 | 0 | 0 | 111.7 | Q614 L620 K621 K622 | Q614-E618 VanDerWaalsContact O-CB 3.25Å; Q614-E618 WeakPolarHBondContact O-CB 3.32Å; Q614-E618 WeakPolarHBondContact O-CG 2.96Å; Q614-E618 PolarHBondContact O-N 3.36Å; E618-L620 VanDerWaalsContact C-N 3.3Å; E618-L620 PolarHBondContact O-N 2.7Å; E618-K621 PolarHBondContact O-N 3.04Å; E618-K621 WeakPolarHBondContact OE1-CD 3.36Å; E618-K621 IonicContact OE1-NZ 3.38Å; E618-K621 PolarHBondContact OE1-NZ 3.42Å; E618-K621 IonicContact OE2-NZ 3.89Å; E618-K622 WeakPolarHBondContact O-CD 3.4Å; E618-K622 WeakPolarHBondContact O-CG 3.21Å; E618-K622 PolarHBondContact O-N 3.43Å |
| 619 | K | 67.2 | Low | 64.3 | Low | 76 Ų | 76 | 56.7 Ų | 56.7 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | 170.7 | -77.6 | 170.7 | -177.2 | 172.3 | 0 | 112.3 | V615 W616 | V615-K619 VanDerWaalsContact O-CG 3.31Å; V615-K619 WeakPolarHBondContact O-CG 3.3Å; V615-K619 PolarHBondContact O-N 3.34Å; W616-K619 HydrophobicContact CD2-CD 3.88Å; W616-K619 HydrophobicContact CE3-CB 4.36Å; W616-K619 HydrophobicContact CE3-CD 3.69Å; W616-K619 HydrophobicContact CG-CD 4.49Å; W616-K619 HydrophobicContact CH2-CD 4.22Å; W616-K619 HydrophobicContact CZ2-CD 4.35Å; W616-K619 HydrophobicContact CZ3-CD 3.9Å; W616-K619 CarbonylContact O-C 3.5Å; W616-K619 WeakPolarHBondContact O-CB 3.15Å; W616-K619 PolarHBondContact O-N 3.15Å |
| 620 | L | 65.9 | Low | 64 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.9 | -34.4 | 175.1 | -73.9 | 173 | 0 | 0 | 0 | 112.6 | L570 M571 Y574 W616 S617 E618 K622 V623 V637 A640 | L570-L620 HydrophobicContact CD2-CD2 3.85Å; L570-L620 HydrophobicContact CG-CD2 4.16Å; M571-L620 HydrophobicContact CG-CD2 4.42Å; M571-L620 HydrophobicContact SD-CD1 4.03Å; M571-L620 HydrophobicContact SD-CD2 3.71Å; Y574-L620 HydrophobicContact CD1-CD1 4.46Å; Y574-L620 HydrophobicContact CD2-CD1 3.23Å; Y574-L620 HydrophobicContact CD2-CG 3.93Å; Y574-L620 HydrophobicContact CE2-CD1 3.49Å; Y574-L620 VanDerWaalsContact CE2-CD1 3.49Å; Y574-L620 HydrophobicContact CE2-CG 4.48Å; Y574-L620 HydrophobicContact CG-CD1 3.81Å; W616-L620 PolarHBondContact O-N 3.4Å; S617-L620 CarbonylContact O-C 3.47Å; S617-L620 PolarHBondContact O-N 3.18Å; E618-L620 VanDerWaalsContact C-N 3.3Å; E618-L620 PolarHBondContact O-N 2.7Å; L620-K622 PolarHBondContact O-N 2.77Å; L620-V623 VanDerWaalsContact O-CB 3.23Å; L620-V623 WeakPolarHBondContact O-CB 3.12Å; L620-V623 PolarHBondContact O-N 2.98Å; L620-V637 HydrophobicContact CD2-CG2 4.31Å; L620-A640 HydrophobicContact CD1-CB 3.48Å; L620-A640 VanDerWaalsContact CD1-CB 3.48Å |
| 621 | K | 59.8 | Low | 63.8 | Low | 97 Ų | 97 | 66.6 Ų | 66.6 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.9 | -30.2 | 175.2 | -177.1 | 178.7 | 165.9 | -170.3 | 0 | 112.1 | S617 E618 V623 | S617-K621 WeakPolarHBondContact O-CB 3.47Å; S617-K621 PolarHBondContact O-N 3.22Å; E618-K621 PolarHBondContact O-N 3.04Å; E618-K621 WeakPolarHBondContact OE1-CD 3.36Å; E618-K621 IonicContact OE1-NZ 3.38Å; E618-K621 PolarHBondContact OE1-NZ 3.42Å; E618-K621 IonicContact OE2-NZ 3.89Å; K621-V623 PolarHBondContact O-N 3.43Å |
| 622 | K | 56.2 | Low | 63.9 | Low | 70 Ų | 70 | 68.4 Ų | 68.4 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.6 | 171.6 | -70.2 | 165.6 | -171.6 | -154.4 | 0 | 113.4 | Q552 E618 L620 | Q552-K622 HydrophobicContact CB-CG 4.1Å; Q552-K622 HydrophobicContact CG-CD 3.85Å; Q552-K622 HydrophobicContact CG-CG 3.65Å; E618-K622 WeakPolarHBondContact O-CD 3.4Å; E618-K622 WeakPolarHBondContact O-CG 3.21Å; E618-K622 PolarHBondContact O-N 3.43Å; L620-K622 PolarHBondContact O-N 2.77Å |
| 623 | V | 58.8 | Low | 63.6 | Low | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -83.4 | 126.6 | 172 | 177 | 0 | 0 | 0 | 0 | 109.5 | Y566 V567 L570 L620 K621 L625 L628 | Y566-V623 HydrophobicContact CE1-CG2 4.3Å; V567-V623 HydrophobicContact CB-CG1 4.35Å; V567-V623 HydrophobicContact CG1-CG1 4.27Å; V567-V623 HydrophobicContact CG2-CB 4.44Å; V567-V623 HydrophobicContact CG2-CG1 3.22Å; V567-V623 HydrophobicContact CG2-CG2 4.4Å; L570-V623 HydrophobicContact CD2-CG2 3.47Å; L570-V623 VanDerWaalsContact CD2-CG2 3.47Å; L620-V623 VanDerWaalsContact O-CB 3.23Å; L620-V623 WeakPolarHBondContact O-CB 3.12Å; L620-V623 PolarHBondContact O-N 2.98Å; K621-V623 PolarHBondContact O-N 3.43Å; V623-L625 PolarHBondContact O-N 3.17Å; V623-L628 HydrophobicContact CG1-CD1 3.87Å |
| 624 | Y | 54.2 | Low | 63.5 | Low | 71 Ų | 71 | 68.1 Ų | 68.1 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | trans | -64.2 | 96.2 | 178.9 | -69.1 | -80.6 | 0 | 0 | 0 | 111.8 | P553 M627 L628 | P553-Y624 HydrophobicContact CB-CE2 4.46Å; P553-Y624 WeakPolarHBondContact CG-OH 3.45Å; Y624-M627 VanDerWaalsContact CB-CG 3.45Å; Y624-M627 VanDerWaalsContact CB-SD 3.51Å; Y624-M627 HydrophobicContact CD1-SD 4.46Å; Y624-M627 HydrophobicContact CD2-CE 4.03Å; Y624-M627 HydrophobicContact CD2-SD 3.44Å; Y624-M627 WeakPolarHBondContact CD2-SD 3.49Å; Y624-M627 HydrophobicContact CE2-CE 4.33Å; Y624-M627 HydrophobicContact CE2-SD 4.26Å; Y624-M627 HydrophobicContact CG-CE 4.16Å; Y624-M627 HydrophobicContact CG-CG 4.05Å; Y624-M627 HydrophobicContact CG-SD 3.57Å; Y624-M627 VanDerWaalsContact CG-SD 3.57Å; Y624-M627 WeakPolarHBondContact O-CA 3.08Å; Y624-M627 WeakPolarHBondContact O-CB 3.47Å; Y624-M627 PolarHBondContact O-N 3.19Å; Y624-L628 PolarHBondContact O-N 3.04Å | ||
| 625 | L | 54.9 | Low | 63.9 | Low | 34 Ų | 34 | 69.1 Ų | 69.1 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -48.4 | -38.9 | 166 | -89.4 | 153.8 | 0 | 0 | 0 | 113.1 | V623 M627 L628 T634 V637 K638 | V623-L625 PolarHBondContact O-N 3.17Å; L625-M627 PolarHBondContact O-N 3.37Å; L625-L628 PolarHBondContact O-N 3.31Å; L625-T634 HydrophobicContact CD2-CG2 4.02Å; L625-V637 HydrophobicContact CD1-CG1 3.91Å; L625-V637 HydrophobicContact CD2-CB 4.13Å; L625-V637 HydrophobicContact CD2-CG1 3.84Å; L625-V637 HydrophobicContact CG-CG1 3.8Å; L625-K638 HydrophobicContact CD2-CG 4.39Å |
| 626 | P | 51.3 | Low | 64.1 | Low | 126 Ų | 126 | 65.7 Ų | 65.7 | 82% | 0.818 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68.1 | -19.2 | 174.6 | -20.5 | 33.3 | 0 | 0 | 0 | 114.5 | ||
| 627 | M | 51.8 | Low | 64.2 | Low | 88 Ų | 88 | 64.8 Ų | 64.8 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -90.1 | -7.2 | 178 | -65.7 | -179.1 | 167.5 | 0 | 0 | 113 | T563 Y624 L625 | T563-M627 HydrophobicContact CG2-CB 4.1Å; Y624-M627 VanDerWaalsContact CB-CG 3.45Å; Y624-M627 VanDerWaalsContact CB-SD 3.51Å; Y624-M627 HydrophobicContact CD1-SD 4.46Å; Y624-M627 HydrophobicContact CD2-CE 4.03Å; Y624-M627 HydrophobicContact CD2-SD 3.44Å; Y624-M627 WeakPolarHBondContact CD2-SD 3.49Å; Y624-M627 HydrophobicContact CE2-CE 4.33Å; Y624-M627 HydrophobicContact CE2-SD 4.26Å; Y624-M627 HydrophobicContact CG-CE 4.16Å; Y624-M627 HydrophobicContact CG-CG 4.05Å; Y624-M627 HydrophobicContact CG-SD 3.57Å; Y624-M627 VanDerWaalsContact CG-SD 3.57Å; Y624-M627 WeakPolarHBondContact O-CA 3.08Å; Y624-M627 WeakPolarHBondContact O-CB 3.47Å; Y624-M627 PolarHBondContact O-N 3.19Å; L625-M627 PolarHBondContact O-N 3.37Å |
| 628 | L | 60 | Low | 64.5 | Low | 16 Ų | 16 | 69.9 Ų | 69.9 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | trans | -92.5 | 124.3 | -177.5 | -86.5 | 161.7 | 0 | 0 | 0 | 112.1 | V567 V623 Y624 L625 L633 V637 | V567-L628 HydrophobicContact CB-CD2 4.01Å; V567-L628 HydrophobicContact CG1-CD1 4.07Å; V567-L628 HydrophobicContact CG1-CD2 3.91Å; V567-L628 HydrophobicContact CG2-CD1 4.28Å; V567-L628 HydrophobicContact CG2-CD2 3.83Å; V567-L628 HydrophobicContact CG2-CG 4.27Å; V623-L628 HydrophobicContact CG1-CD1 3.87Å; Y624-L628 PolarHBondContact O-N 3.04Å; L625-L628 PolarHBondContact O-N 3.31Å; L628-L633 HydrophobicContact CD2-CD1 4.49Å; L628-V637 HydrophobicContact CD1-CG2 4.41Å | ||
| 629 | R | 57 | Low | 65 | Low | 227 Ų | 227 | 68 Ų | 68 | 86% | 0.857 | 32% | 0.32 | S | S | * | . | trans | -97.8 | -7.9 | 177.9 | -64.9 | -175.6 | 179.8 | -174.8 | 1.1 | 115.2 | ||||
| 630 | N | 72.2 | Confident | 65 | Low | 76 Ų | 76 | 64.4 Ų | 64.4 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | trans | -92.7 | 121.5 | -175.8 | -179.3 | -46.7 | 0 | 0 | 0 | 112.3 | I632 L633 T634 | N630-I632 PolarHBondContact OD1-N 3.49Å; N630-L633 HydrophobicContact CB-CB 4.1Å; N630-L633 HydrophobicContact CB-CD1 3.96Å; N630-L633 HydrophobicContact CB-CG 4.27Å; N630-L633 PolarHBondContact O-N 3.25Å; N630-L633 PolarHBondContact OD1-N 3.14Å; N630-L633 VanDerWaalsContact OD1-N 3.09Å; N630-T634 WeakPolarHBondContact O-CB 3.39Å; N630-T634 PolarHBondContact O-N 3.23Å; N630-T634 PolarHBondContact O-OG1 3.13Å | ||
| 631 | E | 68.4 | Low | 64.9 | Low | 169 Ų | 169 | 69.8 Ų | 69.8 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | -176 | -70.3 | -171.4 | 169.3 | 0 | 0 | 114.5 | T634 R635 | E631-T634 WeakPolarHBondContact O-CB 3.18Å; E631-T634 PolarHBondContact O-N 3.18Å; E631-R635 PolarHBondContact O-N 2.89Å |
| 632 | I | 72.8 | Confident | 64.8 | Low | 119 Ų | 119 | 70.3 Ų | 70.3 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.1 | -45.9 | 180 | -63.2 | 175.2 | 0 | 0 | 0 | 109.7 | N630 T634 R635 A636 F921 | N630-I632 PolarHBondContact OD1-N 3.49Å; I632-T634 VanDerWaalsContact C-N 3.28Å; I632-T634 PolarHBondContact O-N 3.21Å; I632-R635 PolarHBondContact O-N 3.37Å; I632-A636 WeakPolarHBondContact O-CB 3.46Å; I632-A636 PolarHBondContact O-N 3.38Å; I632-F921 HydrophobicContact CG2-CE2 4.26Å; I632-F921 HydrophobicContact CG2-CZ 4.37Å |
| 633 | L | 70.4 | Confident | 64.6 | Low | 34 Ų | 34 | 70.9 Ų | 70.9 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 174 | -72.5 | 174 | 0 | 0 | 0 | 110.9 | V567 M571 L628 N630 R635 A636 V637 | V567-L633 HydrophobicContact CG1-CD2 4.47Å; M571-L633 HydrophobicContact CG-CD2 3.9Å; L628-L633 HydrophobicContact CD2-CD1 4.49Å; N630-L633 HydrophobicContact CB-CB 4.1Å; N630-L633 HydrophobicContact CB-CD1 3.96Å; N630-L633 HydrophobicContact CB-CG 4.27Å; N630-L633 PolarHBondContact O-N 3.25Å; N630-L633 PolarHBondContact OD1-N 3.14Å; N630-L633 VanDerWaalsContact OD1-N 3.09Å; L633-R635 PolarHBondContact O-N 3.08Å; L633-A636 PolarHBondContact O-N 3.1Å; L633-V637 WeakPolarHBondContact O-CB 3.36Å; L633-V637 VanDerWaalsContact O-CG2 3.24Å; L633-V637 WeakPolarHBondContact O-CG2 3.47Å; L633-V637 PolarHBondContact O-N 2.88Å |
| 634 | T | 72.1 | Confident | 64.5 | Low | 28 Ų | 28 | 72.5 Ų | 72.5 | 17% | 0.172 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L625 N630 E631 I632 K638 | L625-T634 HydrophobicContact CD2-CG2 4.02Å; N630-T634 WeakPolarHBondContact O-CB 3.39Å; N630-T634 PolarHBondContact O-N 3.23Å; N630-T634 PolarHBondContact O-OG1 3.13Å; E631-T634 WeakPolarHBondContact O-CB 3.18Å; E631-T634 PolarHBondContact O-N 3.18Å; I632-T634 VanDerWaalsContact C-N 3.28Å; I632-T634 PolarHBondContact O-N 3.21Å; T634-K638 HydrophobicContact CG2-CD 4.25Å; T634-K638 WeakPolarHBondContact O-CB 3.25Å; T634-K638 VanDerWaalsContact O-CG 3.27Å; T634-K638 WeakPolarHBondContact O-CG 3.42Å; T634-K638 PolarHBondContact O-N 2.82Å |
| 635 | R | 77.7 | Confident | 64.8 | Low | 51 Ų | 51 | 71.4 Ų | 71.4 | 19% | 0.192 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176 | -170.8 | 171.8 | 174.8 | 78.6 | -5.5 | 111.7 | E631 I632 L633 K638 K639 E749 F921 S1087 S1088 V1089 | E631-R635 PolarHBondContact O-N 2.89Å; I632-R635 PolarHBondContact O-N 3.37Å; L633-R635 PolarHBondContact O-N 3.08Å; R635-K638 PolarHBondContact O-N 3.04Å; R635-K639 HydrophobicContact CG-CG 4.49Å; R635-K639 WeakPolarHBondContact O-CB 3.48Å; R635-K639 PolarHBondContact O-N 2.56Å; R635-E749 IonicContact CZ-OE1 3.34Å; R635-E749 VanDerWaalsContact CZ-OE1 3.27Å; R635-E749 IonicContact CZ-OE2 3.6Å; R635-E749 IonicContact NH1-OE1 2.66Å; R635-E749 PolarHBondContact NH1-OE1 2.96Å; R635-E749 IonicContact NH1-OE2 3.55Å; R635-E749 IonicContact NH2-OE1 2.95Å; R635-E749 PolarHBondContact NH2-OE1 3.02Å; R635-E749 IonicContact NH2-OE2 3.86Å; R635-E749 PolarHBondContact NH2-OE2 3.17Å; R635-F921 HydrophobicContact CG-CE1 4.27Å; R635-S1087 PolarHBondContact NE-O 3.49Å; R635-S1087 PolarHBondContact NH2-O 3.44Å; R635-S1088 VanDerWaalsContact CD-O 3.24Å; R635-S1088 WeakPolarHBondContact CD-O 3.22Å; R635-S1088 PolarHBondContact NE-O 3.18Å; R635-V1089 VanDerWaalsContact NH2-C 3.33Å; R635-V1089 PolarHBondContact NH2-O 2.84Å |
| 636 | A | 75.1 | Confident | 65.4 | Low | 3 Ų | 3 | 71.9 Ų | 71.9 | 3% | 0.025 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M571 I632 L633 K639 A640 V920 F921 | M571-A636 HydrophobicContact CE-CB 3.84Å; M571-A636 HydrophobicContact SD-CB 4.09Å; I632-A636 WeakPolarHBondContact O-CB 3.46Å; I632-A636 PolarHBondContact O-N 3.38Å; L633-A636 PolarHBondContact O-N 3.1Å; A636-K639 PolarHBondContact O-N 2.94Å; A636-A640 WeakPolarHBondContact O-CB 3.5Å; A636-A640 PolarHBondContact O-N 2.86Å; A636-V920 HydrophobicContact CB-CG2 4.01Å; A636-F921 HydrophobicContact CB-CE1 4.4Å; A636-F921 HydrophobicContact CB-CE2 4.06Å; A636-F921 HydrophobicContact CB-CZ 3.6Å |
| 637 | V | 72.1 | Confident | 66.4 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 177 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | V567 M571 L620 L625 L628 L633 R641 | V567-V637 HydrophobicContact CG1-CG2 4.48Å; M571-V637 HydrophobicContact SD-CG2 4.47Å; L620-V637 HydrophobicContact CD2-CG2 4.31Å; L625-V637 HydrophobicContact CD1-CG1 3.91Å; L625-V637 HydrophobicContact CD2-CB 4.13Å; L625-V637 HydrophobicContact CD2-CG1 3.84Å; L625-V637 HydrophobicContact CG-CG1 3.8Å; L628-V637 HydrophobicContact CD1-CG2 4.41Å; L633-V637 WeakPolarHBondContact O-CB 3.36Å; L633-V637 VanDerWaalsContact O-CG2 3.24Å; L633-V637 WeakPolarHBondContact O-CG2 3.47Å; L633-V637 PolarHBondContact O-N 2.88Å; V637-R641 VanDerWaalsContact O-CG 3.32Å; V637-R641 WeakPolarHBondContact O-CG 3.44Å; V637-R641 PolarHBondContact O-N 3.28Å |
| 638 | K | 72.8 | Confident | 67.3 | Low | 109 Ų | 109 | 68.2 Ų | 68.2 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 175 | -77.5 | 177 | -179.4 | -178.9 | 0 | 112 | L625 T634 R635 R641 F642 | L625-K638 HydrophobicContact CD2-CG 4.39Å; T634-K638 HydrophobicContact CG2-CD 4.25Å; T634-K638 WeakPolarHBondContact O-CB 3.25Å; T634-K638 VanDerWaalsContact O-CG 3.27Å; T634-K638 WeakPolarHBondContact O-CG 3.42Å; T634-K638 PolarHBondContact O-N 2.82Å; R635-K638 PolarHBondContact O-N 3.04Å; K638-R641 WeakPolarHBondContact O-CB 3.45Å; K638-R641 PolarHBondContact O-N 2.93Å; K638-R641 VanDerWaalsContact O-N 3.14Å; K638-F642 VanDerWaalsContact O-CD2 3.32Å; K638-F642 WeakPolarHBondContact O-CD2 3.44Å; K638-F642 PolarHBondContact O-N 2.93Å |
| 639 | K | 73.9 | Confident | 67.8 | Low | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.096 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 179.6 | -78 | -156.9 | 167.7 | -163.6 | 0 | 113 | R635 A636 R641 F642 F921 S1087 | R635-K639 HydrophobicContact CG-CG 4.49Å; R635-K639 WeakPolarHBondContact O-CB 3.48Å; R635-K639 PolarHBondContact O-N 2.56Å; A636-K639 PolarHBondContact O-N 2.94Å; K639-R641 PolarHBondContact O-N 3.18Å; K639-F642 PolarHBondContact O-N 3.46Å; K639-F921 HydrophobicContact CD-CD1 4.27Å; K639-F921 HydrophobicContact CD-CE1 4.35Å; K639-S1087 WeakPolarHBondContact CD-OG 3.47Å; K639-S1087 WeakPolarHBondContact CE-O 3.26Å; K639-S1087 WeakPolarHBondContact CE-OG 3.34Å; K639-S1087 PolarHBondContact NZ-O 2.8Å; K639-S1087 PolarHBondContact NZ-OG 3.45Å |
| 640 | A | 67.9 | Low | 68.6 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.9 | -34.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y574 S617 L620 A636 V920 | Y574-A640 HydrophobicContact CE2-CB 4.1Å; S617-A640 PolarHBondContact OG-O 3.26Å; L620-A640 HydrophobicContact CD1-CB 3.48Å; L620-A640 VanDerWaalsContact CD1-CB 3.48Å; A636-A640 WeakPolarHBondContact O-CB 3.5Å; A636-A640 PolarHBondContact O-N 2.86Å; A640-V920 HydrophobicContact CB-CG1 4Å |
| 641 | R | 63.1 | Low | 69 | Low | 113 Ų | 113 | 64.5 Ų | 64.5 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -79.5 | -29.8 | 177.1 | -71.8 | -179.3 | 65.2 | -174.1 | -1 | 115.2 | V637 K638 K639 V643 | V637-R641 VanDerWaalsContact O-CG 3.32Å; V637-R641 WeakPolarHBondContact O-CG 3.44Å; V637-R641 PolarHBondContact O-N 3.28Å; K638-R641 WeakPolarHBondContact O-CB 3.45Å; K638-R641 PolarHBondContact O-N 2.93Å; K638-R641 VanDerWaalsContact O-N 3.14Å; K639-R641 PolarHBondContact O-N 3.18Å; R641-V643 PolarHBondContact O-N 3.04Å |
| 642 | F | 57.9 | Low | 69.4 | Low | 107 Ų | 107 | 58.1 Ų | 58.1 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -0.6 | -171 | -102.8 | -74.1 | 0 | 0 | 0 | 114.6 | K638 K639 F737 K746 | K638-F642 VanDerWaalsContact O-CD2 3.32Å; K638-F642 WeakPolarHBondContact O-CD2 3.44Å; K638-F642 PolarHBondContact O-N 2.93Å; K639-F642 PolarHBondContact O-N 3.46Å; F642-F737 HydrophobicContact CE1-CE1 4.44Å; F642-F737 HydrophobicContact CE1-CZ 4.05Å; F642-K746 HydrophobicContact CE1-CB 3.81Å; F642-K746 HydrophobicContact CE1-CG 4.47Å |
| 643 | V | 51.7 | Low | 69.5 | Low | 83 Ų | 83 | 53.9 Ų | 53.9 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.4 | -175.1 | -177.7 | 0 | 0 | 0 | 0 | 113.3 | Q613 R641 | Q613-V643 VanDerWaalsContact NE2-CG1 3.31Å; R641-V643 PolarHBondContact O-N 3.04Å |
| 644 | E | 57.2 | Low | 70 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | trans | -116.4 | 113.4 | -168 | -72.8 | 165.9 | -150.7 | 0 | 0 | 114.3 | Q614 S617 N646 S735 | Q614-E644 WeakPolarHBondContact CA-OE1 3.5Å; S617-E644 WeakPolarHBondContact CB-OE1 3.3Å; S617-E644 PolarHBondContact OG-OE1 3.41Å; E644-N646 PolarHBondContact O-N 2.87Å; E644-S735 PolarHBondContact O-OG 2.76Å | ||
| 645 | I | 61 | Low | 70.5 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | trans | -71.6 | 107.6 | 151.9 | -66.1 | -178.3 | 0 | 0 | 0 | 106.2 | L647 | I645-L647 HydrophobicContact CG2-CD1 3.65Å; I645-L647 HydrophobicContact CG2-CG 3.82Å; I645-L647 PolarHBondContact O-N 3.45Å | ||
| 646 | N | 67.1 | Low | 70.4 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | trans | -70.9 | 86.5 | -178.2 | -173.9 | 17.7 | 0 | 0 | 0 | 111.7 | E644 G731 N734 S735 | E644-N646 PolarHBondContact O-N 2.87Å; N646-G731 PolarHBondContact N-O 2.88Å; N646-N734 HydrophobicContact CB-CB 3.95Å; N646-N734 PolarHBondContact ND2-O 3.07Å; N646-N734 WeakPolarHBondContact O-CB 3.22Å; N646-N734 PolarHBondContact O-ND2 2.78Å; N646-S735 VanDerWaalsContact CB-OG 3.26Å; N646-S735 WeakPolarHBondContact CB-OG 3.45Å; N646-S735 PolarHBondContact N-OG 2.77Å | ||
| 647 | L | 71.7 | Confident | 70.3 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | trans | -111.6 | 156.1 | 172.6 | -73.2 | 168.2 | 0 | 0 | 0 | 110.5 | I645 D651 L652 L655 K730 | I645-L647 HydrophobicContact CG2-CD1 3.65Å; I645-L647 HydrophobicContact CG2-CG 3.82Å; I645-L647 PolarHBondContact O-N 3.45Å; L647-D651 HydrophobicContact CB-CB 4.05Å; L647-D651 HydrophobicContact CD2-CB 3.9Å; L647-D651 HydrophobicContact CG-CB 4.41Å; L647-L652 HydrophobicContact CB-CB 4.08Å; L647-L655 HydrophobicContact CD1-CB 4.27Å; L647-L655 HydrophobicContact CD1-CD2 3.48Å; L647-L655 VanDerWaalsContact CD1-CD2 3.48Å; L647-K730 HydrophobicContact CD2-CB 4.43Å; L647-K730 HydrophobicContact CD2-CD 4.2Å; L647-K730 HydrophobicContact CD2-CG 4.28Å | ||
| 648 | K | 72 | Confident | 70.5 | Confident | 134 Ų | 134 | 60.3 Ų | 60.3 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | trans | -66.6 | 152.3 | 167.5 | -65.6 | -179.6 | 177.4 | -177.4 | 0 | 108.9 | E650 D651 L652 | K648-E650 PolarHBondContact O-N 3.34Å; K648-E650 VanDerWaalsContact O-N 3.11Å; K648-D651 HydrophobicContact CB-CB 4.39Å; K648-D651 CarbonylContact O-C 3.55Å; K648-D651 PolarHBondContact O-N 3.19Å; K648-L652 WeakPolarHBondContact O-CB 3.44Å; K648-L652 PolarHBondContact O-N 3.42Å | ||
| 649 | T | 69.1 | Low | 70.5 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -50.8 | -39 | 177.6 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | E611 A653 | E611-T649 WeakPolarHBondContact OE1-CG2 3.25Å; E611-T649 PolarHBondContact OE1-OG1 3.26Å; T649-A653 WeakPolarHBondContact O-CB 3.3Å; T649-A653 PolarHBondContact O-N 3.19Å |
| 650 | E | 74.6 | Confident | 70.2 | Confident | 158 Ų | 158 | 55.8 Ų | 55.8 | 74% | 0.738 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.8 | -50.7 | 175 | -66.9 | 170.2 | -172.9 | 0 | 0 | 112.7 | K648 L652 A653 E654 | K648-E650 PolarHBondContact O-N 3.34Å; K648-E650 VanDerWaalsContact O-N 3.11Å; E650-L652 PolarHBondContact O-N 3.5Å; E650-A653 PolarHBondContact O-N 3.34Å; E650-E654 VanDerWaalsContact O-CB 3.29Å; E650-E654 WeakPolarHBondContact O-CB 3.47Å; E650-E654 PolarHBondContact O-N 2.86Å |
| 651 | D | 81.3 | Confident | 70.1 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 177.4 | -68.9 | -47.3 | 0 | 0 | 0 | 111.3 | L647 K648 L655 L727 K730 | L647-D651 HydrophobicContact CB-CB 4.05Å; L647-D651 HydrophobicContact CD2-CB 3.9Å; L647-D651 HydrophobicContact CG-CB 4.41Å; K648-D651 HydrophobicContact CB-CB 4.39Å; K648-D651 CarbonylContact O-C 3.55Å; K648-D651 PolarHBondContact O-N 3.19Å; D651-L655 VanDerWaalsContact O-CB 3.23Å; D651-L655 WeakPolarHBondContact O-CB 3.43Å; D651-L655 PolarHBondContact O-N 3.42Å; D651-L727 HydrophobicContact CB-CD2 4.27Å; D651-K730 IonicContact OD1-NZ 3.55Å; D651-K730 PolarHBondContact OD1-NZ 3.31Å; D651-K730 IonicContact OD2-NZ 3.39Å; D651-K730 PolarHBondContact OD2-NZ 2.92Å |
| 652 | L | 76.9 | Confident | 70.3 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.4 | -45.3 | 175.9 | 178.7 | 62.4 | 0 | 0 | 0 | 110.4 | A610 L647 K648 E650 E654 L655 L656 | A610-L652 HydrophobicContact CB-CD2 4.42Å; L647-L652 HydrophobicContact CB-CB 4.08Å; K648-L652 WeakPolarHBondContact O-CB 3.44Å; K648-L652 PolarHBondContact O-N 3.42Å; E650-L652 PolarHBondContact O-N 3.5Å; L652-E654 VanDerWaalsContact C-N 3.28Å; L652-E654 PolarHBondContact O-N 3.33Å; L652-L655 PolarHBondContact O-N 3.31Å; L652-L656 HydrophobicContact CD1-CD1 4.26Å; L652-L656 HydrophobicContact CD1-CG 4.23Å; L652-L656 HydrophobicContact CG-CD1 4.01Å; L652-L656 HydrophobicContact CG-CG 4.41Å; L652-L656 VanDerWaalsContact O-CB 3.24Å; L652-L656 WeakPolarHBondContact O-CB 3.44Å; L652-L656 WeakPolarHBondContact O-CG 3.11Å; L652-L656 PolarHBondContact O-N 2.72Å |
| 653 | A | 74.2 | Confident | 70.5 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L607 T649 E650 N657 | L607-A653 HydrophobicContact CD1-CB 4.23Å; L607-A653 HydrophobicContact CD2-CB 4.16Å; T649-A653 WeakPolarHBondContact O-CB 3.3Å; T649-A653 PolarHBondContact O-N 3.19Å; E650-A653 PolarHBondContact O-N 3.34Å; A653-N657 WeakPolarHBondContact O-CB 3.49Å; A653-N657 PolarHBondContact O-N 3.49Å |
| 654 | E | 81.4 | Confident | 70.8 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 174.8 | -160.5 | -170.8 | 169.1 | 0 | 0 | 111.2 | E650 L652 N657 K658 L727 | E650-E654 VanDerWaalsContact O-CB 3.29Å; E650-E654 WeakPolarHBondContact O-CB 3.47Å; E650-E654 PolarHBondContact O-N 2.86Å; L652-E654 VanDerWaalsContact C-N 3.28Å; L652-E654 PolarHBondContact O-N 3.33Å; E654-N657 PolarHBondContact O-N 2.92Å; E654-K658 WeakPolarHBondContact O-CB 3.29Å; E654-K658 VanDerWaalsContact O-CG 3.3Å; E654-K658 WeakPolarHBondContact O-CG 3.08Å; E654-K658 PolarHBondContact O-N 3Å; E654-K658 WeakPolarHBondContact OE1-CE 3.48Å; E654-K658 IonicContact OE1-NZ 2.57Å; E654-K658 PolarHBondContact OE1-NZ 3.12Å; E654-L727 HydrophobicContact CB-CD1 4.25Å; E654-L727 HydrophobicContact CG-CD1 4.19Å |
| 655 | L | 81.4 | Confident | 70.4 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 173.8 | 177.7 | 62.7 | 0 | 0 | 0 | 111 | L647 D651 L652 K658 T659 A724 L727 | L647-L655 HydrophobicContact CD1-CB 4.27Å; L647-L655 HydrophobicContact CD1-CD2 3.48Å; L647-L655 VanDerWaalsContact CD1-CD2 3.48Å; D651-L655 VanDerWaalsContact O-CB 3.23Å; D651-L655 WeakPolarHBondContact O-CB 3.43Å; D651-L655 PolarHBondContact O-N 3.42Å; L652-L655 PolarHBondContact O-N 3.31Å; L655-K658 PolarHBondContact O-N 2.99Å; L655-T659 WeakPolarHBondContact O-CB 3.2Å; L655-T659 PolarHBondContact O-N 3.45Å; L655-T659 PolarHBondContact O-OG1 3.02Å; L655-A724 HydrophobicContact CD1-CB 4.32Å; L655-L727 HydrophobicContact CB-CB 4.4Å; L655-L727 HydrophobicContact CB-CD1 4.32Å; L655-L727 HydrophobicContact CD1-CB 4.13Å |
| 656 | L | 75.3 | Confident | 69.5 | Low | 64 Ų | 64 | 50.1 Ų | 50.1 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.3 | -74.4 | 171.2 | 0 | 0 | 0 | 111.1 | L607 L652 T659 A660 | L607-L656 HydrophobicContact CD2-CD1 3.69Å; L607-L656 HydrophobicContact CG-CD1 4.36Å; L652-L656 HydrophobicContact CD1-CD1 4.26Å; L652-L656 HydrophobicContact CD1-CG 4.23Å; L652-L656 HydrophobicContact CG-CD1 4.01Å; L652-L656 HydrophobicContact CG-CG 4.41Å; L652-L656 VanDerWaalsContact O-CB 3.24Å; L652-L656 WeakPolarHBondContact O-CB 3.44Å; L652-L656 WeakPolarHBondContact O-CG 3.11Å; L652-L656 PolarHBondContact O-N 2.72Å; L656-T659 PolarHBondContact O-N 3.19Å; L656-A660 VanDerWaalsContact O-CB 3.22Å; L656-A660 WeakPolarHBondContact O-CB 3.29Å; L656-A660 PolarHBondContact O-N 2.67Å |
| 657 | N | 73.8 | Confident | 68.6 | Low | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66 | -48 | 175.9 | -177.9 | 26.6 | 0 | 0 | 0 | 111.3 | M603 A653 E654 T659 A660 Q661 | M603-N657 HydrophobicContact CE-CB 4.34Å; A653-N657 WeakPolarHBondContact O-CB 3.49Å; A653-N657 PolarHBondContact O-N 3.49Å; E654-N657 PolarHBondContact O-N 2.92Å; N657-T659 VanDerWaalsContact C-N 3.3Å; N657-T659 PolarHBondContact O-N 3.42Å; N657-A660 PolarHBondContact O-N 3.49Å; N657-Q661 PolarHBondContact ND2-NE2 3.02Å; N657-Q661 VanDerWaalsContact ND2-NE2 3.17Å; N657-Q661 WeakPolarHBondContact O-CB 3.29Å; N657-Q661 VanDerWaalsContact O-CG 3.28Å; N657-Q661 WeakPolarHBondContact O-CG 3.4Å; N657-Q661 PolarHBondContact O-N 3.39Å; N657-Q661 PolarHBondContact OD1-NE2 3.16Å |
| 658 | K | 77.6 | Confident | 67.3 | Low | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 174.2 | -70.5 | -173 | -154 | -63 | 0 | 110.9 | E654 L655 Q661 L662 E723 A724 L727 | E654-K658 WeakPolarHBondContact O-CB 3.29Å; E654-K658 VanDerWaalsContact O-CG 3.3Å; E654-K658 WeakPolarHBondContact O-CG 3.08Å; E654-K658 PolarHBondContact O-N 3Å; E654-K658 WeakPolarHBondContact OE1-CE 3.48Å; E654-K658 IonicContact OE1-NZ 2.57Å; E654-K658 PolarHBondContact OE1-NZ 3.12Å; L655-K658 PolarHBondContact O-N 2.99Å; K658-Q661 PolarHBondContact O-N 3.32Å; K658-L662 VanDerWaalsContact O-CB 3.26Å; K658-L662 WeakPolarHBondContact O-CB 2.9Å; K658-L662 WeakPolarHBondContact O-CD1 3.34Å; K658-L662 WeakPolarHBondContact O-CG 3.33Å; K658-L662 PolarHBondContact O-N 2.81Å; K658-E723 HydrophobicContact CD-CB 3.83Å; K658-E723 WeakPolarHBondContact CE-OE2 3.48Å; K658-E723 IonicContact NZ-OE2 2.66Å; K658-E723 PolarHBondContact NZ-OE2 3.18Å; K658-A724 HydrophobicContact CB-CB 4.32Å; K658-A724 HydrophobicContact CD-CB 4.45Å; K658-L727 HydrophobicContact CD-CD1 4.02Å |
| 659 | T | 72.6 | Confident | 65.9 | Low | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 175.6 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | L655 L656 N657 L662 S663 P1032 | L655-T659 WeakPolarHBondContact O-CB 3.2Å; L655-T659 PolarHBondContact O-N 3.45Å; L655-T659 PolarHBondContact O-OG1 3.02Å; L656-T659 PolarHBondContact O-N 3.19Å; N657-T659 VanDerWaalsContact C-N 3.3Å; N657-T659 PolarHBondContact O-N 3.42Å; T659-L662 PolarHBondContact O-N 2.99Å; T659-S663 WeakPolarHBondContact O-CB 3.32Å; T659-S663 PolarHBondContact O-N 2.86Å; T659-S663 PolarHBondContact O-OG 3.36Å; T659-P1032 HydrophobicContact CG2-CB 4.19Å |
| 660 | A | 66.2 | Low | 64.7 | Low | 21 Ų | 21 | 53.5 Ų | 53.5 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L656 N657 S663 N664 V665 | L656-A660 VanDerWaalsContact O-CB 3.22Å; L656-A660 WeakPolarHBondContact O-CB 3.29Å; L656-A660 PolarHBondContact O-N 2.67Å; N657-A660 PolarHBondContact O-N 3.49Å; A660-S663 WeakPolarHBondContact CA-OG 3.3Å; A660-S663 PolarHBondContact O-OG 3.19Å; A660-S663 VanDerWaalsContact O-OG 3.13Å; A660-N664 PolarHBondContact O-N 3.48Å; A660-V665 PolarHBondContact O-N 2.88Å |
| 661 | Q | 67.3 | Low | 63.1 | Low | 85 Ų | 85 | 51.3 Ų | 51.3 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 173.7 | -71.9 | 172.6 | 43.8 | 0 | 0 | 111.8 | N657 K658 N664 | N657-Q661 PolarHBondContact ND2-NE2 3.02Å; N657-Q661 VanDerWaalsContact ND2-NE2 3.17Å; N657-Q661 WeakPolarHBondContact O-CB 3.29Å; N657-Q661 VanDerWaalsContact O-CG 3.28Å; N657-Q661 WeakPolarHBondContact O-CG 3.4Å; N657-Q661 PolarHBondContact O-N 3.39Å; N657-Q661 PolarHBondContact OD1-NE2 3.16Å; K658-Q661 PolarHBondContact O-N 3.32Å; Q661-N664 PolarHBondContact O-N 2.95Å; Q661-N664 VanDerWaalsContact O-N 3.15Å |
| 662 | L | 67.2 | Low | 61.5 | Low | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 179.7 | -71 | 166.7 | 0 | 0 | 0 | 112.5 | K658 T659 N664 F717 L720 L721 A724 L1033 | K658-L662 VanDerWaalsContact O-CB 3.26Å; K658-L662 WeakPolarHBondContact O-CB 2.9Å; K658-L662 WeakPolarHBondContact O-CD1 3.34Å; K658-L662 WeakPolarHBondContact O-CG 3.33Å; K658-L662 PolarHBondContact O-N 2.81Å; T659-L662 PolarHBondContact O-N 2.99Å; L662-N664 PolarHBondContact O-N 2.87Å; L662-F717 HydrophobicContact CB-CE2 4.41Å; L662-F717 HydrophobicContact CB-CZ 4.07Å; L662-F717 HydrophobicContact CD2-CD1 3.7Å; L662-F717 HydrophobicContact CD2-CD2 3.9Å; L662-F717 HydrophobicContact CD2-CE1 3.33Å; L662-F717 HydrophobicContact CD2-CE2 3.58Å; L662-F717 HydrophobicContact CD2-CG 3.97Å; L662-F717 HydrophobicContact CD2-CZ 3.29Å; L662-F717 HydrophobicContact CG-CZ 4.28Å; L662-L720 HydrophobicContact CD2-CB 3.79Å; L662-L720 HydrophobicContact CG-CB 4.3Å; L662-L721 HydrophobicContact CD2-CB 4.46Å; L662-A724 HydrophobicContact CD1-CB 3.75Å; L662-L1033 HydrophobicContact CD1-CD1 3.23Å; L662-L1033 HydrophobicContact CD1-CG 4.04Å |
| 663 | S | 61.3 | Low | 59.9 | Low | 36 Ų | 36 | 55.8 Ų | 55.8 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4 | 173.5 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | T659 A660 V665 | T659-S663 WeakPolarHBondContact O-CB 3.32Å; T659-S663 PolarHBondContact O-N 2.86Å; T659-S663 PolarHBondContact O-OG 3.36Å; A660-S663 WeakPolarHBondContact CA-OG 3.3Å; A660-S663 PolarHBondContact O-OG 3.19Å; A660-S663 VanDerWaalsContact O-OG 3.13Å; S663-V665 PolarHBondContact O-N 3.36Å; S663-V665 VanDerWaalsContact O-N 3.12Å; S663-V665 VanDerWaalsContact OG-CG2 3.31Å; S663-V665 WeakPolarHBondContact OG-CG2 3.47Å |
| 664 | N | 57.8 | Low | 58.3 | Low | 73 Ų | 73 | 59 Ų | 59 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 24.8 | 176.6 | -134.2 | 12.5 | 0 | 0 | 0 | 113.5 | A660 Q661 L662 G666 C667 V668 | A660-N664 PolarHBondContact O-N 3.48Å; Q661-N664 PolarHBondContact O-N 2.95Å; Q661-N664 VanDerWaalsContact O-N 3.15Å; L662-N664 PolarHBondContact O-N 2.87Å; N664-G666 PolarHBondContact O-N 3.44Å; N664-C667 HydrophobicContact CB-CB 4.27Å; N664-C667 VanDerWaalsContact CG-CB 3.45Å; N664-C667 WeakPolarHBondContact O-CB 3.2Å; N664-C667 PolarHBondContact O-N 3.45Å; N664-C667 WeakPolarHBondContact OD1-CB 3.13Å; N664-V668 PolarHBondContact O-N 3.47Å |
| 665 | V | 48 | Very low | 56.1 | Low | 43 Ų | 43 | 62.5 Ų | 62.5 | 26% | 0.261 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.1 | -34.1 | -177.6 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | F592 L599 A660 S663 L669 | F592-V665 HydrophobicContact CE1-CG1 4.38Å; L599-V665 HydrophobicContact CD1-CG1 4.43Å; A660-V665 PolarHBondContact O-N 2.88Å; S663-V665 PolarHBondContact O-N 3.36Å; S663-V665 VanDerWaalsContact O-N 3.12Å; S663-V665 VanDerWaalsContact OG-CG2 3.31Å; S663-V665 WeakPolarHBondContact OG-CG2 3.47Å; V665-L669 HydrophobicContact CG1-CD1 4.09Å; V665-L669 PolarHBondContact O-N 3.37Å |
| 666 | G | 43.8 | Very low | 53.9 | Low | 23 Ų | 23 | 70.9 Ų | 70.9 | 24% | 0.237 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N664 V668 L669 E670 | N664-G666 PolarHBondContact O-N 3.44Å; G666-V668 PolarHBondContact O-N 2.91Å; G666-L669 PolarHBondContact O-N 3.1Å; G666-E670 WeakPolarHBondContact O-CA 3.39Å; G666-E670 WeakPolarHBondContact O-CB 3.22Å; G666-E670 WeakPolarHBondContact O-CG 3.3Å; G666-E670 PolarHBondContact O-N 3.44Å |
| 667 | C | 47.2 | Very low | 52 | Low | 25 Ų | 25 | 70.9 Ų | 70.9 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66 | -39 | -178 | -177.6 | 0 | 0 | 0 | 0 | 113.3 | N664 N671 C672 | N664-C667 HydrophobicContact CB-CB 4.27Å; N664-C667 VanDerWaalsContact CG-CB 3.45Å; N664-C667 WeakPolarHBondContact O-CB 3.2Å; N664-C667 PolarHBondContact O-N 3.45Å; N664-C667 WeakPolarHBondContact OD1-CB 3.13Å; C667-N671 PolarHBondContact O-N 2.88Å; C667-C672 HydrophobicContact CB-CB 4.07Å; C667-C672 PolarHBondContact O-N 2.93Å; C667-C672 VanDerWaalsContact SG-CB 3.57Å |
| 668 | V | 44.2 | Very low | 50.3 | Low | 72 Ų | 72 | 75.8 Ų | 75.8 | 44% | 0.436 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.1 | -35.6 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | N664 G666 | N664-V668 PolarHBondContact O-N 3.47Å; G666-V668 PolarHBondContact O-N 2.91Å |
| 669 | L | 42.2 | Very low | 48.4 | Very low | 76 Ų | 76 | 77.8 Ų | 77.8 | 40% | 0.398 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -99.6 | -25.3 | -174.6 | -66.4 | 170 | 0 | 0 | 0 | 113.5 | F592 V665 G666 | F592-L669 HydrophobicContact CD1-CD1 4.32Å; F592-L669 HydrophobicContact CE1-CD1 3.32Å; F592-L669 HydrophobicContact CE2-CD1 4.32Å; F592-L669 HydrophobicContact CZ-CD1 3.32Å; V665-L669 HydrophobicContact CG1-CD1 4.09Å; V665-L669 PolarHBondContact O-N 3.37Å; G666-L669 PolarHBondContact O-N 3.1Å |
| 670 | E | 44.8 | Very low | 46.9 | Very low | 143 Ų | 143 | 79.5 Ų | 79.5 | 67% | 0.668 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 10 | 176.7 | -59.2 | -175.8 | 158.1 | 0 | 0 | 113.4 | G666 C672 | G666-E670 WeakPolarHBondContact O-CA 3.39Å; G666-E670 WeakPolarHBondContact O-CB 3.22Å; G666-E670 WeakPolarHBondContact O-CG 3.3Å; G666-E670 PolarHBondContact O-N 3.44Å; E670-C672 VanDerWaalsContact C-N 3.33Å; E670-C672 PolarHBondContact O-N 3.02Å |
| 671 | N | 40.9 | Very low | 46 | Very low | 113 Ų | 113 | 84.7 Ų | 84.7 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 37.1 | 176 | -94 | -17.5 | 0 | 0 | 0 | 114.1 | C667 F673 S674 | C667-N671 PolarHBondContact O-N 2.88Å; N671-F673 PolarHBondContact O-N 2.85Å; N671-S674 PolarHBondContact O-N 2.75Å; N671-S674 PolarHBondContact O-OG 2.75Å |
| 672 | C | 46.9 | Very low | 45.4 | Very low | 49 Ų | 49 | 84.3 Ų | 84.3 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -66.3 | 5 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 114.4 | C667 E670 S674 E675 | C667-C672 HydrophobicContact CB-CB 4.07Å; C667-C672 PolarHBondContact O-N 2.93Å; C667-C672 VanDerWaalsContact SG-CB 3.57Å; E670-C672 VanDerWaalsContact C-N 3.33Å; E670-C672 PolarHBondContact O-N 3.02Å; C672-S674 PolarHBondContact O-N 3.11Å; C672-S674 VanDerWaalsContact O-N 3.13Å; C672-E675 PolarHBondContact O-N 2.77Å |
| 673 | F | 43.7 | Very low | 45.2 | Very low | 99 Ų | 99 | 83.9 Ų | 83.9 | 43% | 0.434 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -58.5 | -15.9 | 166.5 | -63 | -72.3 | 0 | 0 | 0 | 113.7 | N671 | N671-F673 PolarHBondContact O-N 2.85Š|
| 674 | S | 41 | Very low | 45.1 | Very low | 96 Ų | 96 | 83.8 Ų | 83.8 | 67% | 0.671 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -86 | -18.7 | 179.2 | 59.5 | 0 | 0 | 0 | 0 | 115 | N671 C672 | N671-S674 PolarHBondContact O-N 2.75Å; N671-S674 PolarHBondContact O-OG 2.75Å; C672-S674 PolarHBondContact O-N 3.11Å; C672-S674 VanDerWaalsContact O-N 3.13Å |
| 675 | E | 35.8 | Very low | 45.5 | Very low | 157 Ų | 157 | 81 Ų | 81 | 73% | 0.734 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -101.8 | 112.2 | -172.5 | -72.1 | -166.6 | 159.8 | 0 | 0 | 112.4 | C672 | C672-E675 PolarHBondContact O-N 2.77Š|
| 676 | K | 34.2 | Very low | 46.6 | Very low | 195 Ų | 195 | 83.3 Ų | 83.3 | 85% | 0.848 | 46% | 0.46 | S | S | * | . | trans | 89.1 | 49.6 | 175.6 | -55.3 | 178.4 | 179.9 | 171.2 | 0 | 116.9 | N678 | K676-N678 PolarHBondContact O-N 3.22Š| ||
| 677 | A | 35 | Very low | 47.7 | Very low | 63 Ų | 63 | 86.1 Ų | 86.1 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | trans | -76.8 | 51.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 678 | N | 38.1 | Very low | 48.8 | Very low | 174 Ų | 174 | 90.4 Ų | 90.4 | 93% | 0.93 | 48% | 0.482 | S | S | * | . | trans | -98.8 | 6.5 | 171 | -104.4 | 11.2 | 0 | 0 | 0 | 113.1 | K676 | K676-N678 PolarHBondContact O-N 3.22Š| ||
| 679 | S | 39 | Very low | 50.4 | Low | 57 Ų | 57 | 87 Ų | 87 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -106.6 | 135.7 | 161.6 | 59.9 | 0 | 0 | 0 | 0 | 107.2 | L681 | S679-L681 PolarHBondContact O-N 3.31Š|
| 680 | S | 39.8 | Very low | 52.2 | Low | 52 Ų | 52 | 84.6 Ų | 84.6 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | trans | -16.3 | 121.3 | -174.9 | 51.9 | 0 | 0 | 0 | 0 | 115.4 | T682 E704 N708 | S680-T682 PolarHBondContact O-N 3.13Å; S680-E704 PolarHBondContact OG-OE1 3.36Å; S680-N708 PolarHBondContact OG-ND2 3.18Å | ||
| 681 | L | 47.3 | Very low | 53.8 | Low | 131 Ų | 131 | 80.7 Ų | 80.7 | 69% | 0.686 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -12.9 | -175.7 | -94.8 | 108.2 | 0 | 0 | 0 | 116 | S679 | S679-L681 PolarHBondContact O-N 3.31Š|
| 682 | T | 55 | Low | 55.6 | Low | 76 Ų | 76 | 76.9 Ų | 76.9 | 47% | 0.466 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -28.5 | -168.7 | 48.7 | 0 | 0 | 0 | 0 | 115 | S680 | S680-T682 PolarHBondContact O-N 3.13Š|
| 683 | C | 63.1 | Low | 57.4 | Low | 8 Ų | 8 | 74.8 Ų | 74.8 | 5% | 0.054 | 40% | 0.403 | C | S | . | . | trans | -126.9 | 74 | -178.2 | 165.1 | 0 | 0 | 0 | 0 | 110.9 | C689 T705 R712 | C683-C689 VanDerWaalsContact C-SG 3.53Å; C683-C689 VanDerWaalsContact CA-SG 3.5Å; C683-C689 HydrophobicContact CB-CB 4.14Å; C683-C689 WeakPolarHBondContact CB-SG 3.36Å; C683-C689 WeakPolarHBondContact SG-CB 3.41Å; C683-C689 CovalentContact SG-SG 2.02Å; C683-C689 PolarHBondContact SG-SG 3.11Å; C683-T705 HydrophobicContact CB-CG2 3.92Å; C683-R712 PolarHBondContact O-NH2 3.13Å | ||
| 684 | S | 60.3 | Low | 59.3 | Low | 35 Ų | 35 | 71.8 Ų | 71.8 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | trans | -89.4 | -38.5 | -178.3 | 36.6 | 0 | 0 | 0 | 0 | 114.6 | K688 R712 | S684-K688 WeakPolarHBondContact OG-CD 3.5Å; S684-K688 PolarHBondContact OG-NZ 3Å; S684-K688 VanDerWaalsContact OG-NZ 3.09Å; S684-R712 PolarHBondContact O-NH2 2.92Å | ||
| 685 | S | 64.6 | Low | 61 | Low | 14 Ų | 14 | 69 Ų | 69 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -120.1 | 161 | 177.6 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | E687 K688 C689 | S685-E687 VanDerWaalsContact C-N 3.25Å; S685-E687 PolarHBondContact O-N 2.87Å; S685-E687 PolarHBondContact OG-OE2 3.33Å; S685-E687 VanDerWaalsContact OG-OE2 3.12Å; S685-K688 PolarHBondContact O-N 3.43Å; S685-K688 VanDerWaalsContact O-N 3.09Å; S685-K688 PolarHBondContact OG-N 3.37Å; S685-C689 PolarHBondContact O-N 3.17Å; S685-C689 PolarHBondContact O-SG 3.28Å |
| 686 | Y | 70.8 | Confident | 63.2 | Low | 92 Ų | 92 | 62.1 Ų | 62.1 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -52.5 | -44.4 | 176.8 | 178.9 | -104 | 0 | 0 | 0 | 112 | C689 N690 W709 V800 T801 | Y686-C689 PolarHBondContact O-N 3.19Å; Y686-N690 WeakPolarHBondContact CD1-ND2 3.15Å; Y686-N690 WeakPolarHBondContact CE1-ND2 3.46Å; Y686-N690 WeakPolarHBondContact CE2-ND2 3.25Å; Y686-N690 WeakPolarHBondContact O-CB 3.44Å; Y686-N690 PolarHBondContact O-N 3.41Å; Y686-N690 PolarHBondContact O-ND2 3.13Å; Y686-W709 AromaticContact CD2-CH2 3.97Å; Y686-W709 HydrophobicContact CD2-CH2 3.97Å; Y686-W709 AromaticContact CD2-CZ2 3.66Å; Y686-W709 HydrophobicContact CD2-CZ2 3.66Å; Y686-W709 HydrophobicContact CG-CH2 4.34Å; Y686-W709 HydrophobicContact CG-CZ2 4.45Å; Y686-V800 HydrophobicContact CD2-CG2 3.91Å; Y686-V800 HydrophobicContact CE2-CG2 3.56Å; Y686-T801 HydrophobicContact CE2-CG2 4.16Å |
| 687 | E | 68 | Low | 65.5 | Low | 82 Ų | 82 | 54.1 Ų | 54.1 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 178 | -60.3 | 74.6 | -162.8 | 0 | 0 | 111.7 | S685 N690 S691 | S685-E687 VanDerWaalsContact C-N 3.25Å; S685-E687 PolarHBondContact O-N 2.87Å; S685-E687 PolarHBondContact OG-OE2 3.33Å; S685-E687 VanDerWaalsContact OG-OE2 3.12Å; E687-N690 PolarHBondContact O-N 3.12Å; E687-S691 WeakPolarHBondContact O-CB 3.21Å; E687-S691 PolarHBondContact O-N 2.9Å |
| 688 | K | 70.5 | Confident | 67.6 | Low | 114 Ų | 114 | 55.1 Ų | 55.1 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.7 | -74.9 | 177 | -177.6 | -179.9 | 0 | 111.6 | S684 S685 S691 L692 | S684-K688 WeakPolarHBondContact OG-CD 3.5Å; S684-K688 PolarHBondContact OG-NZ 3Å; S684-K688 VanDerWaalsContact OG-NZ 3.09Å; S685-K688 PolarHBondContact O-N 3.43Å; S685-K688 VanDerWaalsContact O-N 3.09Å; S685-K688 PolarHBondContact OG-N 3.37Å; K688-S691 PolarHBondContact O-N 3.35Å; K688-L692 WeakPolarHBondContact O-CB 3.26Å; K688-L692 PolarHBondContact O-N 3.03Å |
| 689 | C | 76.8 | Confident | 69.9 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | C683 S685 Y686 S691 L692 M693 T705 W709 V800 | C683-C689 VanDerWaalsContact C-SG 3.53Å; C683-C689 VanDerWaalsContact CA-SG 3.5Å; C683-C689 HydrophobicContact CB-CB 4.14Å; C683-C689 WeakPolarHBondContact CB-SG 3.36Å; C683-C689 WeakPolarHBondContact SG-CB 3.41Å; C683-C689 CovalentContact SG-SG 2.02Å; C683-C689 PolarHBondContact SG-SG 3.11Å; S685-C689 PolarHBondContact O-N 3.17Å; S685-C689 PolarHBondContact O-SG 3.28Å; Y686-C689 PolarHBondContact O-N 3.19Å; C689-S691 PolarHBondContact O-N 3.01Å; C689-L692 PolarHBondContact O-N 3.42Å; C689-M693 WeakPolarHBondContact O-CB 3.32Å; C689-M693 VanDerWaalsContact O-CG 3.3Å; C689-M693 WeakPolarHBondContact O-CG 3.42Å; C689-M693 PolarHBondContact O-N 2.87Å; C689-T705 HydrophobicContact CB-CG2 4.38Å; C689-W709 HydrophobicContact CB-CE3 4.24Å; C689-V800 HydrophobicContact CB-CG1 3.79Å |
| 690 | N | 81.1 | Confident | 72 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 174.7 | -77.5 | -33.5 | 0 | 0 | 0 | 112.8 | Y686 E687 M693 A694 S799 V800 | Y686-N690 WeakPolarHBondContact CD1-ND2 3.15Å; Y686-N690 WeakPolarHBondContact CE1-ND2 3.46Å; Y686-N690 WeakPolarHBondContact CE2-ND2 3.25Å; Y686-N690 WeakPolarHBondContact O-CB 3.44Å; Y686-N690 PolarHBondContact O-N 3.41Å; Y686-N690 PolarHBondContact O-ND2 3.13Å; E687-N690 PolarHBondContact O-N 3.12Å; N690-M693 PolarHBondContact O-N 3.36Å; N690-A694 WeakPolarHBondContact O-CB 3.39Å; N690-A694 PolarHBondContact O-N 3.01Å; N690-S799 VanDerWaalsContact OD1-CA 3.24Å; N690-S799 WeakPolarHBondContact OD1-CA 3.21Å; N690-S799 WeakPolarHBondContact OD1-CB 3.26Å; N690-V800 PolarHBondContact OD1-N 2.82Å |
| 691 | S | 77.6 | Confident | 74 | Confident | 62 Ų | 62 | 48.6 Ų | 48.6 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 175 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | E687 K688 C689 A694 N695 | E687-S691 WeakPolarHBondContact O-CB 3.21Å; E687-S691 PolarHBondContact O-N 2.9Å; K688-S691 PolarHBondContact O-N 3.35Å; C689-S691 PolarHBondContact O-N 3.01Å; S691-A694 PolarHBondContact O-N 2.82Å; S691-N695 WeakPolarHBondContact O-CB 3.15Å; S691-N695 PolarHBondContact O-N 3.43Å; S691-N695 VanDerWaalsContact O-N 3.14Å; S691-N695 PolarHBondContact O-ND2 2.72Å |
| 692 | L | 79.6 | Confident | 76 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 175.7 | -170.3 | 158.8 | 0 | 0 | 0 | 110.7 | K688 C689 A694 N695 S696 L701 T705 | K688-L692 WeakPolarHBondContact O-CB 3.26Å; K688-L692 PolarHBondContact O-N 3.03Å; C689-L692 PolarHBondContact O-N 3.42Å; L692-A694 PolarHBondContact O-N 3.13Å; L692-N695 PolarHBondContact O-N 3.12Å; L692-S696 VanDerWaalsContact O-CB 3.25Å; L692-S696 WeakPolarHBondContact O-CB 3.11Å; L692-S696 PolarHBondContact O-N 3.5Å; L692-L701 HydrophobicContact CD2-CD1 4.34Å; L692-L701 HydrophobicContact CD2-CD2 4.05Å; L692-L701 HydrophobicContact CD2-CG 3.94Å; L692-T705 HydrophobicContact CD2-CG2 4.04Å; L692-T705 VanDerWaalsContact CD2-OG1 3.28Å; L692-T705 WeakPolarHBondContact CD2-OG1 3.43Å |
| 693 | M | 84.6 | Confident | 77.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -35 | 177.7 | -70.7 | -174.5 | 74 | 0 | 0 | 113.3 | C689 N690 N695 L702 T705 W706 H795 S799 V800 | C689-M693 WeakPolarHBondContact O-CB 3.32Å; C689-M693 VanDerWaalsContact O-CG 3.3Å; C689-M693 WeakPolarHBondContact O-CG 3.42Å; C689-M693 PolarHBondContact O-N 2.87Å; N690-M693 PolarHBondContact O-N 3.36Å; M693-N695 VanDerWaalsContact C-N 3.31Å; M693-N695 PolarHBondContact O-N 3.25Å; M693-L702 HydrophobicContact CB-CD2 4.13Å; M693-L702 HydrophobicContact CG-CD2 4.08Å; M693-T705 HydrophobicContact CG-CG2 3.99Å; M693-T705 HydrophobicContact SD-CG2 4.44Å; M693-W706 HydrophobicContact CE-CB 4.27Å; M693-H795 HydrophobicContact CE-CB 4.24Å; M693-H795 VanDerWaalsContact CE-O 3.22Å; M693-H795 WeakPolarHBondContact CE-O 3.43Å; M693-S799 WeakPolarHBondContact CE-O 3.21Å; M693-S799 VanDerWaalsContact SD-C 3.59Å; M693-V800 VanDerWaalsContact SD-CA 3.56Å; M693-V800 HydrophobicContact SD-CB 4.08Å; M693-V800 HydrophobicContact SD-CG1 3.4Å; M693-V800 WeakPolarHBondContact SD-CG1 3.33Å; M693-V800 PolarHBondContact SD-N 2.95Å; M693-V800 VanDerWaalsContact SD-N 3.41Å |
| 694 | A | 82.2 | Confident | 78.7 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.7 | -25.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N690 S691 L692 G798 A807 | N690-A694 WeakPolarHBondContact O-CB 3.39Å; N690-A694 PolarHBondContact O-N 3.01Å; S691-A694 PolarHBondContact O-N 2.82Å; L692-A694 PolarHBondContact O-N 3.13Å; A694-G798 PolarHBondContact N-O 3.36Å; A694-A807 HydrophobicContact CB-CB 3.64Å |
| 695 | N | 78.3 | Confident | 79.8 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 20% | 0.198 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -106 | -16.4 | -174.6 | -71.9 | -50.7 | 0 | 0 | 0 | 114.6 | S691 L692 M693 R1173 T1174 I1177 | S691-N695 WeakPolarHBondContact O-CB 3.15Å; S691-N695 PolarHBondContact O-N 3.43Å; S691-N695 VanDerWaalsContact O-N 3.14Å; S691-N695 PolarHBondContact O-ND2 2.72Å; L692-N695 PolarHBondContact O-N 3.12Å; M693-N695 VanDerWaalsContact C-N 3.31Å; M693-N695 PolarHBondContact O-N 3.25Å; N695-R1173 PolarHBondContact OD1-NH2 2.87Å; N695-R1173 VanDerWaalsContact OD1-NH2 3.1Å; N695-T1174 PolarHBondContact O-OG1 2.63Å; N695-I1177 HydrophobicContact CB-CD1 4.09Å |
| 696 | S | 80.9 | Confident | 80.9 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | trans | -95.1 | 144 | -178.5 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | L692 D698 | L692-S696 VanDerWaalsContact O-CB 3.25Å; L692-S696 WeakPolarHBondContact O-CB 3.11Å; L692-S696 PolarHBondContact O-N 3.5Å; S696-D698 PolarHBondContact OG-N 3.45Å; S696-D698 VanDerWaalsContact OG-N 3.14Å | ||
| 697 | T | 82.5 | Confident | 81.6 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 17% | 0.172 | 22% | 0.219 | C | C | . | . | trans | -111.9 | 5.7 | 164.2 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | V699 I782 Y783 K811 D1170 | T697-V699 PolarHBondContact O-N 3.22Å; T697-I782 HydrophobicContact CG2-CG2 3.98Å; T697-Y783 VanDerWaalsContact O-CE1 3.25Å; T697-Y783 WeakPolarHBondContact O-CE1 3.47Å; T697-K811 VanDerWaalsContact CG2-NZ 3.3Å; T697-D1170 WeakPolarHBondContact CB-OD2 3.32Å; T697-D1170 WeakPolarHBondContact CG2-OD1 3.16Å; T697-D1170 PolarHBondContact N-OD2 2.99Å; T697-D1170 PolarHBondContact OG1-OD2 2.83Å | ||
| 698 | D | 80.6 | Confident | 82.2 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | trans | -74.6 | 110.3 | 176.1 | 179.7 | -23.3 | 0 | 0 | 0 | 110.4 | S696 S700 L701 L702 | S696-D698 PolarHBondContact OG-N 3.45Å; S696-D698 VanDerWaalsContact OG-N 3.14Å; D698-S700 VanDerWaalsContact C-N 3.32Å; D698-S700 PolarHBondContact O-N 3.42Å; D698-S700 WeakPolarHBondContact OD1-CA 3.41Å; D698-S700 WeakPolarHBondContact OD1-CB 3.34Å; D698-S700 PolarHBondContact OD1-N 2.96Å; D698-L701 HydrophobicContact CB-CB 3.84Å; D698-L701 PolarHBondContact O-N 3.35Å; D698-L701 PolarHBondContact OD1-N 3.44Å; D698-L702 VanDerWaalsContact O-CB 3.3Å; D698-L702 WeakPolarHBondContact O-CB 3.42Å; D698-L702 WeakPolarHBondContact O-CG 3.35Å; D698-L702 PolarHBondContact O-N 3.22Å | ||
| 699 | V | 85 | Confident | 82.6 | Confident | 24 Ų | 24 | 33.3 Ų | 33.3 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | T697 L702 N703 Y783 Q786 F787 | T697-V699 PolarHBondContact O-N 3.22Å; V699-L702 PolarHBondContact O-N 3.15Å; V699-N703 WeakPolarHBondContact O-CB 3.26Å; V699-N703 PolarHBondContact O-N 3.19Å; V699-Y783 HydrophobicContact CG2-CD1 3.22Å; V699-Y783 HydrophobicContact CG2-CE1 3.57Å; V699-Y783 HydrophobicContact CG2-CG 4.28Å; V699-Q786 HydrophobicContact CG2-CG 4.07Å; V699-F787 HydrophobicContact CG1-CE1 4.45Å; V699-F787 HydrophobicContact CG1-CZ 3.98Å; V699-F787 HydrophobicContact CG2-CZ 4.45Å |
| 700 | S | 83.3 | Confident | 82.8 | Confident | 90 Ų | 90 | 33.5 Ų | 33.5 | 63% | 0.629 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -66.7 | -45.3 | -179.6 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | D698 N703 E704 | D698-S700 VanDerWaalsContact C-N 3.32Å; D698-S700 PolarHBondContact O-N 3.42Å; D698-S700 WeakPolarHBondContact OD1-CA 3.41Å; D698-S700 WeakPolarHBondContact OD1-CB 3.34Å; D698-S700 PolarHBondContact OD1-N 2.96Å; S700-N703 PolarHBondContact O-N 2.93Å; S700-E704 WeakPolarHBondContact O-CB 3.18Å; S700-E704 PolarHBondContact O-N 3.17Å |
| 701 | L | 83 | Confident | 82.6 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.2 | 177 | 61.1 | 0 | 0 | 0 | 112.3 | L692 D698 E704 T705 | L692-L701 HydrophobicContact CD2-CD1 4.34Å; L692-L701 HydrophobicContact CD2-CD2 4.05Å; L692-L701 HydrophobicContact CD2-CG 3.94Å; D698-L701 HydrophobicContact CB-CB 3.84Å; D698-L701 PolarHBondContact O-N 3.35Å; D698-L701 PolarHBondContact OD1-N 3.44Å; L701-E704 PolarHBondContact O-N 2.97Å; L701-T705 VanDerWaalsContact O-CB 3.23Å; L701-T705 WeakPolarHBondContact O-CB 3.49Å; L701-T705 PolarHBondContact O-N 3.36Å; L701-T705 PolarHBondContact O-OG1 3.27Å |
| 702 | L | 88.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 176.8 | -73 | 173.5 | 0 | 0 | 0 | 110.8 | M693 D698 V699 W706 Y783 H795 I796 | M693-L702 HydrophobicContact CB-CD2 4.13Å; M693-L702 HydrophobicContact CG-CD2 4.08Å; D698-L702 VanDerWaalsContact O-CB 3.3Å; D698-L702 WeakPolarHBondContact O-CB 3.42Å; D698-L702 WeakPolarHBondContact O-CG 3.35Å; D698-L702 PolarHBondContact O-N 3.22Å; V699-L702 PolarHBondContact O-N 3.15Å; L702-W706 WeakPolarHBondContact O-CB 3.48Å; L702-W706 PolarHBondContact O-N 3.45Å; L702-Y783 HydrophobicContact CD1-CE1 4.27Å; L702-Y783 WeakPolarHBondContact CD1-OH 3.32Å; L702-H795 HydrophobicContact CB-CB 4.21Å; L702-I796 HydrophobicContact CD1-CG2 4.28Å |
| 703 | N | 89.5 | Confident | 81 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 176.6 | -177.6 | 20.7 | 0 | 0 | 0 | 110.9 | V699 S700 W706 T707 H795 P1015 | V699-N703 WeakPolarHBondContact O-CB 3.26Å; V699-N703 PolarHBondContact O-N 3.19Å; S700-N703 PolarHBondContact O-N 2.93Å; N703-W706 PolarHBondContact O-N 3.03Å; N703-T707 WeakPolarHBondContact O-CB 3.41Å; N703-T707 PolarHBondContact O-N 3.48Å; N703-T707 PolarHBondContact O-OG1 3.11Å; N703-T707 PolarHBondContact OD1-OG1 3.21Å; N703-H795 PolarHBondContact N-CD2 3.24Å; N703-P1015 HydrophobicContact CB-CB 4.41Å; N703-P1015 WeakPolarHBondContact OD1-CB 2.75Å |
| 704 | E | 85 | Confident | 79.6 | Confident | 90 Ų | 90 | 47.6 Ų | 47.6 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 176.4 | -167 | -160.7 | 147.8 | 0 | 0 | 111.3 | S680 S700 L701 W706 T707 N708 | S680-E704 PolarHBondContact OG-OE1 3.36Å; S700-E704 WeakPolarHBondContact O-CB 3.18Å; S700-E704 PolarHBondContact O-N 3.17Å; L701-E704 PolarHBondContact O-N 2.97Å; E704-W706 VanDerWaalsContact C-N 3.35Å; E704-W706 PolarHBondContact O-N 3.47Å; E704-T707 PolarHBondContact O-N 3.3Å; E704-N708 WeakPolarHBondContact O-CB 3.18Å; E704-N708 PolarHBondContact O-N 3.49Å; E704-N708 PolarHBondContact O-ND2 2.94Å; E704-N708 PolarHBondContact OE1-ND2 3.36Å |
| 705 | T | 82.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 111 | C683 C689 L692 M693 L701 W709 | C683-T705 HydrophobicContact CB-CG2 3.92Å; C689-T705 HydrophobicContact CB-CG2 4.38Å; L692-T705 HydrophobicContact CD2-CG2 4.04Å; L692-T705 VanDerWaalsContact CD2-OG1 3.28Å; L692-T705 WeakPolarHBondContact CD2-OG1 3.43Å; M693-T705 HydrophobicContact CG-CG2 3.99Å; M693-T705 HydrophobicContact SD-CG2 4.44Å; L701-T705 VanDerWaalsContact O-CB 3.23Å; L701-T705 WeakPolarHBondContact O-CB 3.49Å; L701-T705 PolarHBondContact O-N 3.36Å; L701-T705 PolarHBondContact O-OG1 3.27Å; T705-W709 WeakPolarHBondContact O-CB 3.34Å; T705-W709 PolarHBondContact O-N 3.04Å |
| 706 | W | 88.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 178.1 | -173.6 | 92.9 | 0 | 0 | 0 | 111.1 | M693 L702 N703 E704 W709 H710 A794 H795 V800 W1003 P1014 P1015 | M693-W706 HydrophobicContact CE-CB 4.27Å; L702-W706 WeakPolarHBondContact O-CB 3.48Å; L702-W706 PolarHBondContact O-N 3.45Å; N703-W706 PolarHBondContact O-N 3.03Å; E704-W706 VanDerWaalsContact C-N 3.35Å; E704-W706 PolarHBondContact O-N 3.47Å; W706-W709 PolarHBondContact O-N 3.47Å; W706-H710 AromaticContact CD1-CE1 3.73Å; W706-H710 AromaticContact CD2-CE1 3.83Å; W706-H710 AromaticContact CD2-ND1 3.49Å; W706-H710 AromaticContact CE2-CE1 3.22Å; W706-H710 AromaticContact CE2-ND1 3.31Å; W706-H710 VanDerWaalsContact CE2-ND1 3.31Å; W706-H710 AromaticContact CE2-NE2 3.99Å; W706-H710 AromaticContact CE3-ND1 3.88Å; W706-H710 AromaticContact CG-ND1 3.94Å; W706-H710 HydrophobicContact CH2-CB 4.34Å; W706-H710 AromaticContact CH2-CG 3.92Å; W706-H710 AromaticContact CH2-ND1 3.89Å; W706-H710 AromaticContact CZ2-CE1 3.46Å; W706-H710 VanDerWaalsContact CZ2-CE1 3.46Å; W706-H710 WeakPolarHBondContact CZ2-CE1 3.48Å; W706-H710 AromaticContact CZ2-CG 3.86Å; W706-H710 AromaticContact CZ2-ND1 3.51Å; W706-H710 AromaticContact CZ2-NE2 3.8Å; W706-H710 HydrophobicContact CZ3-CB 4.33Å; W706-H710 AromaticContact NE1-CE1 3.18Å; W706-H710 PolarHBondContact NE1-CE1 2.93Å; W706-H710 AromaticContact NE1-ND1 3.67Å; W706-H710 PolarHBondContact O-N 3.45Å; W706-H710 VanDerWaalsContact O-N 3.13Å; W706-H710 PolarHBondContact O-ND1 3.47Å; W706-A794 HydrophobicContact CZ2-CB 4.48Å; W706-H795 HydrophobicContact CB-CB 3.76Å; W706-H795 HydrophobicContact CG-CB 4Å; W706-V800 PolarHBondContact NE1-O 3.49Å; W706-W1003 AromaticContact CH2-CH2 4Å; W706-W1003 HydrophobicContact CH2-CH2 4Å; W706-W1003 AromaticContact CH2-CZ2 3.45Å; W706-W1003 HydrophobicContact CH2-CZ2 3.45Å; W706-W1003 VanDerWaalsContact CH2-CZ2 3.45Å; W706-W1003 AromaticContact CZ2-CH2 3.47Å; W706-W1003 HydrophobicContact CZ2-CH2 3.47Å; W706-W1003 VanDerWaalsContact CZ2-CH2 3.47Å; W706-W1003 AromaticContact CZ2-CZ2 3.31Å; W706-W1003 HydrophobicContact CZ2-CZ2 3.31Å; W706-P1014 HydrophobicContact CH2-CB 4.06Å; W706-P1015 HydrophobicContact CB-CG 4.32Å; W706-P1015 HydrophobicContact CD2-CG 3.5Å; W706-P1015 VanDerWaalsContact CD2-CG 3.5Å; W706-P1015 HydrophobicContact CE3-CB 4.45Å; W706-P1015 HydrophobicContact CE3-CG 3.46Å; W706-P1015 VanDerWaalsContact CE3-CG 3.46Å; W706-P1015 HydrophobicContact CG-CG 3.88Å; W706-P1015 VanDerWaalsContact CZ3-CD 3.45Å; W706-P1015 HydrophobicContact CZ3-CG 4.1Å |
| 707 | T | 85.4 | Confident | 76.9 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | -179.3 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | N703 E704 W709 H710 D711 | N703-T707 WeakPolarHBondContact O-CB 3.41Å; N703-T707 PolarHBondContact O-N 3.48Å; N703-T707 PolarHBondContact O-OG1 3.11Å; N703-T707 PolarHBondContact OD1-OG1 3.21Å; E704-T707 PolarHBondContact O-N 3.3Å; T707-W709 VanDerWaalsContact C-N 3.33Å; T707-W709 PolarHBondContact O-N 2.78Å; T707-H710 CarbonylContact O-C 3.59Å; T707-H710 PolarHBondContact O-N 3.36Å; T707-D711 WeakPolarHBondContact CG2-OD2 3.28Å; T707-D711 WeakPolarHBondContact O-CB 3.32Å; T707-D711 VanDerWaalsContact O-CG 3.24Å; T707-D711 PolarHBondContact O-N 2.89Å |
| 708 | N | 80.8 | Confident | 76.4 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 177.9 | -72.8 | -11.4 | 0 | 0 | 0 | 112.2 | S680 E704 R712 | S680-N708 PolarHBondContact OG-ND2 3.18Å; E704-N708 WeakPolarHBondContact O-CB 3.18Å; E704-N708 PolarHBondContact O-N 3.49Å; E704-N708 PolarHBondContact O-ND2 2.94Å; E704-N708 PolarHBondContact OE1-ND2 3.36Å; N708-R712 WeakPolarHBondContact O-CG 3.4Å; N708-R712 PolarHBondContact O-N 3.18Å |
| 709 | W | 79.4 | Confident | 76.4 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 174.8 | 177.8 | -96.8 | 0 | 0 | 0 | 111.6 | Y686 C689 T705 W706 T707 R712 V800 N1027 | Y686-W709 AromaticContact CD2-CH2 3.97Å; Y686-W709 HydrophobicContact CD2-CH2 3.97Å; Y686-W709 AromaticContact CD2-CZ2 3.66Å; Y686-W709 HydrophobicContact CD2-CZ2 3.66Å; Y686-W709 HydrophobicContact CG-CH2 4.34Å; Y686-W709 HydrophobicContact CG-CZ2 4.45Å; C689-W709 HydrophobicContact CB-CE3 4.24Å; T705-W709 WeakPolarHBondContact O-CB 3.34Å; T705-W709 PolarHBondContact O-N 3.04Å; W706-W709 PolarHBondContact O-N 3.47Å; T707-W709 VanDerWaalsContact C-N 3.33Å; T707-W709 PolarHBondContact O-N 2.78Å; W709-R712 VanDerWaalsContact CE3-CZ 3.46Å; W709-R712 VanDerWaalsContact CZ3-CZ 3.41Å; W709-R712 WeakPolarHBondContact O-CG 3.39Å; W709-V800 HydrophobicContact CB-CG1 4.22Å; W709-V800 HydrophobicContact CD2-CG1 4.32Å; W709-V800 HydrophobicContact CG-CB 4.16Å; W709-V800 HydrophobicContact CG-CG1 3.92Å; W709-V800 HydrophobicContact CG-CG2 4.48Å; W709-N1027 PolarHBondContact NE1-O 2.92Å |
| 710 | H | 80.8 | Confident | 76 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.023 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.9 | -24.8 | -177.4 | -67.8 | 87.1 | 0 | 0 | 0 | 113.8 | W706 T707 R712 V800 N1027 | W706-H710 AromaticContact CD1-CE1 3.73Å; W706-H710 AromaticContact CD2-CE1 3.83Å; W706-H710 AromaticContact CD2-ND1 3.49Å; W706-H710 AromaticContact CE2-CE1 3.22Å; W706-H710 AromaticContact CE2-ND1 3.31Å; W706-H710 VanDerWaalsContact CE2-ND1 3.31Å; W706-H710 AromaticContact CE2-NE2 3.99Å; W706-H710 AromaticContact CE3-ND1 3.88Å; W706-H710 AromaticContact CG-ND1 3.94Å; W706-H710 HydrophobicContact CH2-CB 4.34Å; W706-H710 AromaticContact CH2-CG 3.92Å; W706-H710 AromaticContact CH2-ND1 3.89Å; W706-H710 AromaticContact CZ2-CE1 3.46Å; W706-H710 VanDerWaalsContact CZ2-CE1 3.46Å; W706-H710 WeakPolarHBondContact CZ2-CE1 3.48Å; W706-H710 AromaticContact CZ2-CG 3.86Å; W706-H710 AromaticContact CZ2-ND1 3.51Å; W706-H710 AromaticContact CZ2-NE2 3.8Å; W706-H710 HydrophobicContact CZ3-CB 4.33Å; W706-H710 AromaticContact NE1-CE1 3.18Å; W706-H710 PolarHBondContact NE1-CE1 2.93Å; W706-H710 AromaticContact NE1-ND1 3.67Å; W706-H710 PolarHBondContact O-N 3.45Å; W706-H710 VanDerWaalsContact O-N 3.13Å; W706-H710 PolarHBondContact O-ND1 3.47Å; T707-H710 CarbonylContact O-C 3.59Å; T707-H710 PolarHBondContact O-N 3.36Å; H710-R712 VanDerWaalsContact C-N 3.3Å; H710-V800 PolarHBondContact CE1-O 3.49Å; H710-V800 VanDerWaalsContact CE1-O 3.29Å; H710-N1027 PolarHBondContact O-ND2 3.18Å; H710-N1027 VanDerWaalsContact O-ND2 3.09Å |
| 711 | D | 76.8 | Confident | 76 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -0.1 | 176.7 | -72 | 0.1 | 0 | 0 | 0 | 112.6 | T707 K713 R1018 | T707-D711 WeakPolarHBondContact CG2-OD2 3.28Å; T707-D711 WeakPolarHBondContact O-CB 3.32Å; T707-D711 VanDerWaalsContact O-CG 3.24Å; T707-D711 PolarHBondContact O-N 2.89Å; D711-K713 PolarHBondContact O-N 3.31Å; D711-R1018 IonicContact OD1-CZ 2.75Å; D711-R1018 VanDerWaalsContact OD1-CZ 3.26Å; D711-R1018 IonicContact OD1-NH1 2.64Å; D711-R1018 PolarHBondContact OD1-NH1 2.92Å; D711-R1018 IonicContact OD1-NH2 2.6Å; D711-R1018 PolarHBondContact OD1-NH2 2.88Å |
| 712 | R | 68.6 | Low | 76.1 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 25% | 0.253 | 26% | 0.263 | S | S | . | . | trans | -51.7 | 117.9 | 173 | -77.4 | -178.4 | -179.2 | -164.9 | -3.6 | 108.9 | C683 S684 N708 W709 H710 H714 | C683-R712 PolarHBondContact O-NH2 3.13Å; S684-R712 PolarHBondContact O-NH2 2.92Å; N708-R712 WeakPolarHBondContact O-CG 3.4Å; N708-R712 PolarHBondContact O-N 3.18Å; W709-R712 VanDerWaalsContact CE3-CZ 3.46Å; W709-R712 VanDerWaalsContact CZ3-CZ 3.41Å; W709-R712 WeakPolarHBondContact O-CG 3.39Å; H710-R712 VanDerWaalsContact C-N 3.3Å; R712-H714 WeakPolarHBondContact CB-NE2 3.39Å; R712-H714 PolarHBondContact O-CD2 2.95Å; R712-H714 PolarHBondContact O-N 3.42Å | ||
| 713 | K | 55.4 | Low | 76.1 | Confident | 207 Ų | 207 | 54 Ų | 54 | 90% | 0.9 | 28% | 0.277 | S | S | * | . | trans | -68.8 | 85.1 | 165.5 | -69.9 | -169.4 | 179.8 | -177.2 | 0 | 108.1 | D711 | D711-K713 PolarHBondContact O-N 3.31Š| ||
| 714 | H | 54.6 | Low | 75.9 | Confident | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | trans | -58.2 | 162.8 | 144.8 | -58.8 | -67.9 | 0 | 0 | 0 | 106.7 | R712 F717 N1027 | R712-H714 WeakPolarHBondContact CB-NE2 3.39Å; R712-H714 PolarHBondContact O-CD2 2.95Å; R712-H714 PolarHBondContact O-N 3.42Å; H714-F717 HydrophobicContact CB-CB 4.05Å; H714-F717 HydrophobicContact CB-CD2 4.18Å; H714-F717 HydrophobicContact CB-CG 4.48Å; H714-N1027 PolarHBondContact CD2-OD1 3.4Å; H714-N1027 PolarHBondContact NE2-OD1 2.94Å | ||
| 715 | G | 54.8 | Low | 76 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 64% | 0.639 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -57.8 | -155 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F717 | G715-F717 PolarHBondContact O-N 2.94Š|
| 716 | P | 60.2 | Low | 76.3 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -71.9 | 68.9 | 171 | 36.3 | -36.3 | 0 | 0 | 0 | 109 | D718 Q719 L720 | P716-D718 VanDerWaalsContact C-N 3.26Å; P716-D718 PolarHBondContact O-N 3.29Å; P716-Q719 HydrophobicContact CB-CB 3.67Å; P716-Q719 HydrophobicContact CG-CB 4.3Å; P716-Q719 CarbonylContact O-C 3.45Å; P716-Q719 WeakPolarHBondContact O-CA 3.48Å; P716-Q719 VanDerWaalsContact O-CB 3.27Å; P716-Q719 WeakPolarHBondContact O-CB 3.42Å; P716-Q719 PolarHBondContact O-N 2.89Å; P716-L720 PolarHBondContact O-N 3.29Å |
| 717 | F | 69.8 | Low | 76.4 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -34.7 | -178.2 | -165.9 | -76.3 | 0 | 0 | 0 | 110.1 | L662 H714 G715 Q719 L720 L721 F1023 P1026 | L662-F717 HydrophobicContact CB-CE2 4.41Å; L662-F717 HydrophobicContact CB-CZ 4.07Å; L662-F717 HydrophobicContact CD2-CD1 3.7Å; L662-F717 HydrophobicContact CD2-CD2 3.9Å; L662-F717 HydrophobicContact CD2-CE1 3.33Å; L662-F717 HydrophobicContact CD2-CE2 3.58Å; L662-F717 HydrophobicContact CD2-CG 3.97Å; L662-F717 HydrophobicContact CD2-CZ 3.29Å; L662-F717 HydrophobicContact CG-CZ 4.28Å; H714-F717 HydrophobicContact CB-CB 4.05Å; H714-F717 HydrophobicContact CB-CD2 4.18Å; H714-F717 HydrophobicContact CB-CG 4.48Å; G715-F717 PolarHBondContact O-N 2.94Å; F717-Q719 VanDerWaalsContact C-N 3.29Å; F717-Q719 PolarHBondContact O-N 3.13Å; F717-L720 PolarHBondContact O-N 3.42Å; F717-L721 WeakPolarHBondContact O-CB 3.44Å; F717-L721 PolarHBondContact O-N 3.15Å; F717-F1023 HydrophobicContact CD1-CE1 4.15Å; F717-P1026 HydrophobicContact CD1-CB 3.66Å; F717-P1026 HydrophobicContact CD1-CG 3.48Å; F717-P1026 VanDerWaalsContact CD1-CG 3.48Å; F717-P1026 HydrophobicContact CE1-CB 3.3Å; F717-P1026 HydrophobicContact CE1-CG 3.44Å; F717-P1026 VanDerWaalsContact CE1-CG 3.44Å; F717-P1026 HydrophobicContact CG-CB 4.44Å; F717-P1026 HydrophobicContact CZ-CB 3.79Å; F717-P1026 HydrophobicContact CZ-CG 4.4Å |
| 718 | D | 72.6 | Confident | 76.4 | Confident | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 168.7 | 66.6 | -37.2 | 0 | 0 | 0 | 111.6 | P716 E722 R995 F1023 | P716-D718 VanDerWaalsContact C-N 3.26Å; P716-D718 PolarHBondContact O-N 3.29Å; D718-E722 VanDerWaalsContact O-CB 3.3Å; D718-E722 WeakPolarHBondContact O-CB 3.17Å; D718-E722 PolarHBondContact O-N 2.79Å; D718-R995 IonicContact OD2-CZ 3.54Å; D718-R995 IonicContact OD2-NE 2.87Å; D718-R995 PolarHBondContact OD2-NE 3.48Å; D718-R995 IonicContact OD2-NH2 2.7Å; D718-R995 PolarHBondContact OD2-NH2 3.11Å; D718-F1023 HydrophobicContact CB-CD1 3.89Å; D718-F1023 HydrophobicContact CB-CE1 4.13Å |
| 719 | Q | 79.7 | Confident | 76.8 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.4 | -45.3 | 174 | -169.5 | -172.2 | -23.4 | 0 | 0 | 112.2 | P716 F717 L721 E722 E723 | P716-Q719 HydrophobicContact CB-CB 3.67Å; P716-Q719 HydrophobicContact CG-CB 4.3Å; P716-Q719 CarbonylContact O-C 3.45Å; P716-Q719 WeakPolarHBondContact O-CA 3.48Å; P716-Q719 VanDerWaalsContact O-CB 3.27Å; P716-Q719 WeakPolarHBondContact O-CB 3.42Å; P716-Q719 PolarHBondContact O-N 2.89Å; F717-Q719 VanDerWaalsContact C-N 3.29Å; F717-Q719 PolarHBondContact O-N 3.13Å; Q719-L721 PolarHBondContact O-N 3.41Å; Q719-E722 WeakPolarHBondContact O-CB 3.41Å; Q719-E722 PolarHBondContact O-N 2.84Å; Q719-E723 WeakPolarHBondContact CG-OE1 3.41Å; Q719-E723 PolarHBondContact NE2-OE1 2.77Å; Q719-E723 WeakPolarHBondContact O-CB 3.14Å; Q719-E723 VanDerWaalsContact O-CG 3.29Å; Q719-E723 WeakPolarHBondContact O-CG 3.35Å; Q719-E723 PolarHBondContact O-N 2.96Å |
| 720 | L | 78.2 | Confident | 77.2 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 176.3 | -73.5 | 173.3 | 0 | 0 | 0 | 111.2 | L662 P716 F717 A724 | L662-L720 HydrophobicContact CD2-CB 3.79Å; L662-L720 HydrophobicContact CG-CB 4.3Å; P716-L720 PolarHBondContact O-N 3.29Å; F717-L720 PolarHBondContact O-N 3.42Å; L720-A724 VanDerWaalsContact O-CB 3.28Å; L720-A724 WeakPolarHBondContact O-CB 3.48Å; L720-A724 PolarHBondContact O-N 3.26Å |
| 721 | L | 82.6 | Confident | 77.3 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | 174.4 | 177.7 | 59.4 | 0 | 0 | 0 | 111.9 | L662 F717 Q719 E723 A724 V725 W984 W998 F1023 L1033 | L662-L721 HydrophobicContact CD2-CB 4.46Å; F717-L721 WeakPolarHBondContact O-CB 3.44Å; F717-L721 PolarHBondContact O-N 3.15Å; Q719-L721 PolarHBondContact O-N 3.41Å; L721-E723 VanDerWaalsContact C-N 3.3Å; L721-E723 PolarHBondContact O-N 3.28Å; L721-A724 PolarHBondContact O-N 3.41Å; L721-V725 HydrophobicContact CD1-CG2 3.83Å; L721-V725 HydrophobicContact CG-CG2 4.21Å; L721-V725 WeakPolarHBondContact O-CB 3.29Å; L721-V725 WeakPolarHBondContact O-CG2 3.23Å; L721-V725 PolarHBondContact O-N 3.44Å; L721-W984 HydrophobicContact CD2-CH2 4.09Å; L721-W998 HydrophobicContact CB-CZ3 4.39Å; L721-W998 HydrophobicContact CD2-CE3 4.28Å; L721-W998 HydrophobicContact CD2-CH2 4.44Å; L721-W998 HydrophobicContact CD2-CZ3 3.81Å; L721-W998 HydrophobicContact CG-CH2 4.34Å; L721-W998 HydrophobicContact CG-CZ3 4.07Å; L721-F1023 HydrophobicContact CD2-CE1 3.95Å; L721-F1023 HydrophobicContact CD2-CZ 3.55Å; L721-L1033 HydrophobicContact CD1-CD1 3.66Å; L721-L1033 HydrophobicContact CD1-CD2 3.21Å; L721-L1033 HydrophobicContact CD1-CG 4.04Å |
| 722 | E | 85.8 | Confident | 77.6 | Confident | 81 Ų | 81 | 48.5 Ų | 48.5 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57 | -45.1 | 174.9 | -179.6 | 172.4 | -150.6 | 0 | 0 | 111.1 | D718 Q719 A726 R995 W998 | D718-E722 VanDerWaalsContact O-CB 3.3Å; D718-E722 WeakPolarHBondContact O-CB 3.17Å; D718-E722 PolarHBondContact O-N 2.79Å; Q719-E722 WeakPolarHBondContact O-CB 3.41Å; Q719-E722 PolarHBondContact O-N 2.84Å; E722-A726 VanDerWaalsContact O-CB 3.31Å; E722-A726 WeakPolarHBondContact O-CB 3.28Å; E722-A726 PolarHBondContact O-N 2.95Å; E722-R995 WeakPolarHBondContact OE2-CD 3.3Å; E722-R995 IonicContact OE2-CZ 3.65Å; E722-R995 IonicContact OE2-NE 2.67Å; E722-R995 IonicContact OE2-NH1 2.86Å; E722-R995 PolarHBondContact OE2-NH1 3.5Å; E722-W998 HydrophobicContact CB-CH2 4.03Å |
| 723 | E | 87.4 | Confident | 78.2 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.9 | -70 | 172.2 | -167.4 | 0 | 0 | 112.2 | K658 Q719 L721 A726 L727 | K658-E723 HydrophobicContact CD-CB 3.83Å; K658-E723 WeakPolarHBondContact CE-OE2 3.48Å; K658-E723 IonicContact NZ-OE2 2.66Å; K658-E723 PolarHBondContact NZ-OE2 3.18Å; Q719-E723 WeakPolarHBondContact CG-OE1 3.41Å; Q719-E723 PolarHBondContact NE2-OE1 2.77Å; Q719-E723 WeakPolarHBondContact O-CB 3.14Å; Q719-E723 VanDerWaalsContact O-CG 3.29Å; Q719-E723 WeakPolarHBondContact O-CG 3.35Å; Q719-E723 PolarHBondContact O-N 2.96Å; L721-E723 VanDerWaalsContact C-N 3.3Å; L721-E723 PolarHBondContact O-N 3.28Å; E723-A726 PolarHBondContact O-N 3.22Å; E723-L727 WeakPolarHBondContact O-CG 3.45Å; E723-L727 PolarHBondContact O-N 2.88Å |
| 724 | A | 85.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L655 K658 L662 L720 L721 A726 L727 S728 L1033 | L655-A724 HydrophobicContact CD1-CB 4.32Å; K658-A724 HydrophobicContact CB-CB 4.32Å; K658-A724 HydrophobicContact CD-CB 4.45Å; L662-A724 HydrophobicContact CD1-CB 3.75Å; L720-A724 VanDerWaalsContact O-CB 3.28Å; L720-A724 WeakPolarHBondContact O-CB 3.48Å; L720-A724 PolarHBondContact O-N 3.26Å; L721-A724 PolarHBondContact O-N 3.41Å; A724-A726 VanDerWaalsContact C-N 3.34Å; A724-L727 PolarHBondContact O-N 2.98Å; A724-S728 VanDerWaalsContact O-CB 3.27Å; A724-S728 WeakPolarHBondContact O-CB 3.48Å; A724-S728 PolarHBondContact O-N 3.17Å; A724-L1033 HydrophobicContact CB-CD1 3.4Å |
| 725 | V | 87.6 | Confident | 80.3 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 110 | L721 S728 N729 V988 F989 | L721-V725 HydrophobicContact CD1-CG2 3.83Å; L721-V725 HydrophobicContact CG-CG2 4.21Å; L721-V725 WeakPolarHBondContact O-CB 3.29Å; L721-V725 WeakPolarHBondContact O-CG2 3.23Å; L721-V725 PolarHBondContact O-N 3.44Å; V725-S728 PolarHBondContact O-N 3.44Å; V725-N729 WeakPolarHBondContact O-CB 3.48Å; V725-N729 PolarHBondContact O-N 2.98Å; V725-V988 HydrophobicContact CG2-CG1 4.24Å; V725-F989 HydrophobicContact CB-CE1 4.38Å; V725-F989 HydrophobicContact CG1-CD1 3.98Å; V725-F989 HydrophobicContact CG1-CE1 4.33Å; V725-F989 HydrophobicContact CG1-CG 4.2Å; V725-F989 HydrophobicContact CG2-CD1 4.33Å; V725-F989 HydrophobicContact CG2-CD2 4.24Å; V725-F989 HydrophobicContact CG2-CE1 3.99Å; V725-F989 HydrophobicContact CG2-CE2 3.87Å; V725-F989 HydrophobicContact CG2-CG 4.48Å; V725-F989 HydrophobicContact CG2-CZ 3.75Å |
| 726 | A | 88.8 | Confident | 81.2 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E722 E723 A724 K730 | E722-A726 VanDerWaalsContact O-CB 3.31Å; E722-A726 WeakPolarHBondContact O-CB 3.28Å; E722-A726 PolarHBondContact O-N 2.95Å; E723-A726 PolarHBondContact O-N 3.22Å; A724-A726 VanDerWaalsContact C-N 3.34Å; A726-K730 VanDerWaalsContact O-CB 3.25Å; A726-K730 WeakPolarHBondContact O-CB 3.18Å; A726-K730 PolarHBondContact O-N 2.87Å |
| 727 | L | 88.7 | Confident | 82.2 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 175.7 | -75 | 173.6 | 0 | 0 | 0 | 112.1 | D651 E654 L655 K658 E723 A724 K730 G731 | D651-L727 HydrophobicContact CB-CD2 4.27Å; E654-L727 HydrophobicContact CB-CD1 4.25Å; E654-L727 HydrophobicContact CG-CD1 4.19Å; L655-L727 HydrophobicContact CB-CB 4.4Å; L655-L727 HydrophobicContact CB-CD1 4.32Å; L655-L727 HydrophobicContact CD1-CB 4.13Å; K658-L727 HydrophobicContact CD-CD1 4.02Å; E723-L727 WeakPolarHBondContact O-CG 3.45Å; E723-L727 PolarHBondContact O-N 2.88Å; A724-L727 PolarHBondContact O-N 2.98Å; L727-K730 HydrophobicContact CD2-CD 4.43Å; L727-K730 WeakPolarHBondContact O-CB 3.42Å; L727-K730 PolarHBondContact O-N 3.12Å; L727-G731 PolarHBondContact O-N 3.42Å |
| 728 | S | 86.8 | Confident | 82.8 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | A724 V725 K730 G731 A732 T740 | A724-S728 VanDerWaalsContact O-CB 3.27Å; A724-S728 WeakPolarHBondContact O-CB 3.48Å; A724-S728 PolarHBondContact O-N 3.17Å; V725-S728 PolarHBondContact O-N 3.44Å; S728-K730 PolarHBondContact O-N 2.73Å; S728-G731 PolarHBondContact O-N 2.86Å; S728-A732 PolarHBondContact O-N 3.18Å; S728-T740 WeakPolarHBondContact CB-OG1 3.4Å; S728-T740 PolarHBondContact O-OG1 3.41Å; S728-T740 WeakPolarHBondContact OG-CG2 3.39Å; S728-T740 PolarHBondContact OG-OG1 3.36Å |
| 729 | N | 89 | Confident | 83.4 | Confident | 20 Ų | 20 | 42 Ų | 42 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -34.5 | 175.8 | -77.1 | -10.8 | 0 | 0 | 0 | 112.8 | V725 G731 A732 N733 T740 F989 | V725-N729 WeakPolarHBondContact O-CB 3.48Å; V725-N729 PolarHBondContact O-N 2.98Å; N729-G731 VanDerWaalsContact C-N 3.31Å; N729-G731 PolarHBondContact O-N 3Å; N729-A732 PolarHBondContact O-N 2.85Å; N729-N733 VanDerWaalsContact O-CB 3.32Å; N729-N733 WeakPolarHBondContact O-CB 3.29Å; N729-N733 PolarHBondContact O-N 3.15Å; N729-N733 PolarHBondContact O-ND2 3.49Å; N729-T740 PolarHBondContact N-OG1 3.19Å; N729-T740 PolarHBondContact OD1-N 3.1Å; N729-T740 PolarHBondContact OD1-OG1 3.37Å; N729-F989 PolarHBondContact ND2-O 2.98Å |
| 730 | K | 87.9 | Confident | 83.7 | Confident | 84 Ų | 84 | 38.1 Ų | 38.1 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.3 | -46 | 170.9 | 179.5 | -170.7 | -174.6 | -171.8 | 0 | 110.4 | L647 D651 A726 L727 S728 N733 N734 | L647-K730 HydrophobicContact CD2-CB 4.43Å; L647-K730 HydrophobicContact CD2-CD 4.2Å; L647-K730 HydrophobicContact CD2-CG 4.28Å; D651-K730 IonicContact OD1-NZ 3.55Å; D651-K730 PolarHBondContact OD1-NZ 3.31Å; D651-K730 IonicContact OD2-NZ 3.39Å; D651-K730 PolarHBondContact OD2-NZ 2.92Å; A726-K730 VanDerWaalsContact O-CB 3.25Å; A726-K730 WeakPolarHBondContact O-CB 3.18Å; A726-K730 PolarHBondContact O-N 2.87Å; L727-K730 HydrophobicContact CD2-CD 4.43Å; L727-K730 WeakPolarHBondContact O-CB 3.42Å; L727-K730 PolarHBondContact O-N 3.12Å; S728-K730 PolarHBondContact O-N 2.73Å; K730-N733 PolarHBondContact O-N 3.32Å; K730-N734 WeakPolarHBondContact O-CB 3.29Å; K730-N734 PolarHBondContact O-N 3.3Å; K730-N734 PolarHBondContact O-ND2 3.47Å; K730-N734 PolarHBondContact O-OD1 3.05Å |
| 731 | G | 83.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.9 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | N646 L727 S728 N729 N734 S735 | N646-G731 PolarHBondContact N-O 2.88Å; L727-G731 PolarHBondContact O-N 3.42Å; S728-G731 PolarHBondContact O-N 2.86Å; N729-G731 VanDerWaalsContact C-N 3.31Å; N729-G731 PolarHBondContact O-N 3Å; G731-N734 PolarHBondContact O-N 3.29Å; G731-S735 WeakPolarHBondContact O-CB 3.49Å; G731-S735 PolarHBondContact O-N 3.26Å; G731-S735 PolarHBondContact O-OG 3.27Å |
| 732 | A | 82.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S728 N729 N734 S735 G736 F737 D739 V743 | S728-A732 PolarHBondContact O-N 3.18Å; N729-A732 PolarHBondContact O-N 2.85Å; A732-N734 PolarHBondContact O-N 3.41Å; A732-S735 CarbonylContact O-C 3.49Å; A732-S735 WeakPolarHBondContact O-CA 3.16Å; A732-S735 WeakPolarHBondContact O-CB 3.42Å; A732-S735 PolarHBondContact O-N 2.71Å; A732-G736 PolarHBondContact O-N 3.33Å; A732-G736 VanDerWaalsContact O-N 3.16Å; A732-F737 CarbonylContact C-O 3.51Å; A732-F737 HydrophobicContact CB-CB 4.27Å; A732-F737 PolarHBondContact O-N 3.47Å; A732-D739 VanDerWaalsContact CB-C 3.44Å; A732-V743 HydrophobicContact CB-CG2 3.85Å |
| 733 | N | 81.7 | Confident | 83.9 | Confident | 93 Ų | 93 | 36.3 Ų | 36.3 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.4 | -80.1 | -46.8 | 0 | 0 | 0 | 112.5 | N729 K730 S735 G736 F737 S738 | N729-N733 VanDerWaalsContact O-CB 3.32Å; N729-N733 WeakPolarHBondContact O-CB 3.29Å; N729-N733 PolarHBondContact O-N 3.15Å; N729-N733 PolarHBondContact O-ND2 3.49Å; K730-N733 PolarHBondContact O-N 3.32Å; N733-S735 PolarHBondContact O-N 2.82Å; N733-S735 VanDerWaalsContact O-N 3.12Å; N733-G736 PolarHBondContact O-N 2.8Å; N733-F737 WeakPolarHBondContact CA-O 3.17Å; N733-F737 PolarHBondContact OD1-O 2.75Å; N733-S738 PolarHBondContact OD1-O 2.93Å |
| 734 | N | 78.1 | Confident | 83.6 | Confident | 83 Ų | 83 | 33.9 Ų | 33.9 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.8 | -19.1 | 175.2 | -71 | -14.9 | 0 | 0 | 0 | 113.4 | N646 K730 G731 A732 | N646-N734 HydrophobicContact CB-CB 3.95Å; N646-N734 PolarHBondContact ND2-O 3.07Å; N646-N734 WeakPolarHBondContact O-CB 3.22Å; N646-N734 PolarHBondContact O-ND2 2.78Å; K730-N734 WeakPolarHBondContact O-CB 3.29Å; K730-N734 PolarHBondContact O-N 3.3Å; K730-N734 PolarHBondContact O-ND2 3.47Å; K730-N734 PolarHBondContact O-OD1 3.05Å; G731-N734 PolarHBondContact O-N 3.29Å; A732-N734 PolarHBondContact O-N 3.41Å |
| 735 | S | 74.1 | Confident | 83.4 | Confident | 40 Ų | 40 | 35.5 Ų | 35.5 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -4 | 178.3 | -49.2 | 0 | 0 | 0 | 0 | 112.6 | E644 N646 G731 A732 N733 | E644-S735 PolarHBondContact O-OG 2.76Å; N646-S735 VanDerWaalsContact CB-OG 3.26Å; N646-S735 WeakPolarHBondContact CB-OG 3.45Å; N646-S735 PolarHBondContact N-OG 2.77Å; G731-S735 WeakPolarHBondContact O-CB 3.49Å; G731-S735 PolarHBondContact O-N 3.26Å; G731-S735 PolarHBondContact O-OG 3.27Å; A732-S735 CarbonylContact O-C 3.49Å; A732-S735 WeakPolarHBondContact O-CA 3.16Å; A732-S735 WeakPolarHBondContact O-CB 3.42Å; A732-S735 PolarHBondContact O-N 2.71Å; N733-S735 PolarHBondContact O-N 2.82Å; N733-S735 VanDerWaalsContact O-N 3.12Å |
| 736 | G | 74.1 | Confident | 83 | Confident | 68 Ų | 68 | 39 Ų | 39 | 70% | 0.701 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 12.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A732 N733 | A732-G736 PolarHBondContact O-N 3.33Å; A732-G736 VanDerWaalsContact O-N 3.16Å; N733-G736 PolarHBondContact O-N 2.8Å |
| 737 | F | 82.1 | Confident | 82.4 | Confident | 39 Ų | 39 | 39 Ų | 39 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | trans | -95 | 152.5 | 173.3 | -58.6 | -75 | 0 | 0 | 0 | 110.7 | F642 A732 N733 D739 E742 V743 K746 | F642-F737 HydrophobicContact CE1-CE1 4.44Å; F642-F737 HydrophobicContact CE1-CZ 4.05Å; A732-F737 CarbonylContact C-O 3.51Å; A732-F737 HydrophobicContact CB-CB 4.27Å; A732-F737 PolarHBondContact O-N 3.47Å; N733-F737 WeakPolarHBondContact CA-O 3.17Å; N733-F737 PolarHBondContact OD1-O 2.75Å; F737-D739 VanDerWaalsContact C-N 3.29Å; F737-D739 PolarHBondContact O-N 3.37Å; F737-E742 VanDerWaalsContact CA-OE2 3.29Å; F737-E742 WeakPolarHBondContact CA-OE2 3.25Å; F737-E742 HydrophobicContact CB-CB 4.29Å; F737-E742 HydrophobicContact CD1-CB 4.4Å; F737-E742 HydrophobicContact CD1-CG 3.91Å; F737-V743 HydrophobicContact CB-CG2 4Å; F737-V743 HydrophobicContact CD1-CG2 4.49Å; F737-V743 HydrophobicContact CD2-CG2 3.54Å; F737-V743 HydrophobicContact CE2-CG2 4.1Å; F737-V743 HydrophobicContact CG-CG2 3.76Å; F737-K746 HydrophobicContact CE1-CG 4.12Å | ||
| 738 | S | 81.9 | Confident | 82 | Confident | 75 Ų | 75 | 38.3 Ų | 38.3 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -63.1 | -37.6 | 179.4 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | N733 E742 | N733-S738 PolarHBondContact OD1-O 2.93Å; S738-E742 PolarHBondContact N-OE2 3.45Å; S738-E742 PolarHBondContact OG-OE2 2.93Å |
| 739 | D | 86.2 | Confident | 81.7 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -169 | 176 | -177.8 | 60.4 | 84.9 | 0 | 0 | 0 | 109.2 | A732 F737 T741 E742 | A732-D739 VanDerWaalsContact CB-C 3.44Å; F737-D739 VanDerWaalsContact C-N 3.29Å; F737-D739 PolarHBondContact O-N 3.37Å; D739-T741 PolarHBondContact O-N 2.92Å; D739-T741 WeakPolarHBondContact OD1-CA 3.24Å; D739-T741 WeakPolarHBondContact OD1-CB 3.09Å; D739-T741 WeakPolarHBondContact OD1-CG2 3.23Å; D739-T741 PolarHBondContact OD1-N 3.35Å; D739-T741 PolarHBondContact OD1-OG1 3.25Å; D739-E742 PolarHBondContact O-N 3.21Å |
| 740 | T | 86.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -27.5 | -177.4 | -49.9 | 0 | 0 | 0 | 0 | 112.7 | S728 N729 E742 V743 W744 F989 | S728-T740 WeakPolarHBondContact CB-OG1 3.4Å; S728-T740 PolarHBondContact O-OG1 3.41Å; S728-T740 WeakPolarHBondContact OG-CG2 3.39Å; S728-T740 PolarHBondContact OG-OG1 3.36Å; N729-T740 PolarHBondContact N-OG1 3.19Å; N729-T740 PolarHBondContact OD1-N 3.1Å; N729-T740 PolarHBondContact OD1-OG1 3.37Å; T740-E742 VanDerWaalsContact C-N 3.31Å; T740-E742 PolarHBondContact O-N 3.22Å; T740-V743 VanDerWaalsContact O-CB 3.29Å; T740-V743 WeakPolarHBondContact O-CB 3.29Å; T740-V743 PolarHBondContact O-N 3.39Å; T740-V743 VanDerWaalsContact O-N 3.15Å; T740-W744 HydrophobicContact CG2-CD2 4.37Å; T740-W744 HydrophobicContact CG2-CZ2 3.76Å; T740-W744 PolarHBondContact O-N 3.41Å; T740-W744 VanDerWaalsContact O-N 3.13Å; T740-F989 HydrophobicContact CG2-CD1 4.14Å; T740-F989 HydrophobicContact CG2-CE1 4.04Å |
| 741 | T | 85.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.9 | -33.3 | -177.8 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | D739 V743 W744 E745 W986 F989 R990 | D739-T741 PolarHBondContact O-N 2.92Å; D739-T741 WeakPolarHBondContact OD1-CA 3.24Å; D739-T741 WeakPolarHBondContact OD1-CB 3.09Å; D739-T741 WeakPolarHBondContact OD1-CG2 3.23Å; D739-T741 PolarHBondContact OD1-N 3.35Å; D739-T741 PolarHBondContact OD1-OG1 3.25Å; T741-V743 VanDerWaalsContact C-N 3.33Å; T741-W744 HydrophobicContact CG2-CE3 4.31Å; T741-W744 HydrophobicContact CG2-CZ3 4.24Å; T741-W744 WeakPolarHBondContact O-CB 3.36Å; T741-W744 PolarHBondContact O-N 3.45Å; T741-E745 WeakPolarHBondContact O-CG 3.4Å; T741-E745 PolarHBondContact O-N 3.38Å; T741-W986 VanDerWaalsContact CB-CD1 3.49Å; T741-W986 HydrophobicContact CG2-CG 4.46Å; T741-F989 HydrophobicContact CG2-CB 3.48Å; T741-F989 VanDerWaalsContact CG2-CB 3.48Å; T741-F989 HydrophobicContact CG2-CG 4.43Å; T741-R990 HydrophobicContact CG2-CG 4.22Å; T741-R990 PolarHBondContact OG1-NE 3.48Å |
| 742 | E | 82.7 | Confident | 80.9 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 173.4 | -171.1 | -177 | -173.2 | 0 | 0 | 111.1 | F737 S738 D739 T740 W744 E745 K746 | F737-E742 VanDerWaalsContact CA-OE2 3.29Å; F737-E742 WeakPolarHBondContact CA-OE2 3.25Å; F737-E742 HydrophobicContact CB-CB 4.29Å; F737-E742 HydrophobicContact CD1-CB 4.4Å; F737-E742 HydrophobicContact CD1-CG 3.91Å; S738-E742 PolarHBondContact N-OE2 3.45Å; S738-E742 PolarHBondContact OG-OE2 2.93Å; D739-E742 PolarHBondContact O-N 3.21Å; T740-E742 VanDerWaalsContact C-N 3.31Å; T740-E742 PolarHBondContact O-N 3.22Å; E742-W744 VanDerWaalsContact C-N 3.3Å; E742-W744 PolarHBondContact O-N 3.19Å; E742-E745 PolarHBondContact O-N 3.19Å; E742-K746 HydrophobicContact CG-CG 4.47Å; E742-K746 WeakPolarHBondContact O-CG 3.16Å; E742-K746 PolarHBondContact O-N 2.97Å |
| 743 | V | 80.8 | Confident | 81.2 | Confident | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.158 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 173.8 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | A732 F737 T740 T741 K746 S747 | A732-V743 HydrophobicContact CB-CG2 3.85Å; F737-V743 HydrophobicContact CB-CG2 4Å; F737-V743 HydrophobicContact CD1-CG2 4.49Å; F737-V743 HydrophobicContact CD2-CG2 3.54Å; F737-V743 HydrophobicContact CE2-CG2 4.1Å; F737-V743 HydrophobicContact CG-CG2 3.76Å; T740-V743 VanDerWaalsContact O-CB 3.29Å; T740-V743 WeakPolarHBondContact O-CB 3.29Å; T740-V743 PolarHBondContact O-N 3.39Å; T740-V743 VanDerWaalsContact O-N 3.15Å; T741-V743 VanDerWaalsContact C-N 3.33Å; V743-K746 PolarHBondContact O-N 2.77Å; V743-S747 WeakPolarHBondContact O-CB 3.42Å; V743-S747 PolarHBondContact O-N 3.32Å |
| 744 | W | 81.4 | Confident | 81.5 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 176 | -63.5 | -21.7 | 0 | 0 | 0 | 112.4 | T740 T741 E742 K746 S747 Y748 K985 F989 L1033 D1034 P1036 | T740-W744 HydrophobicContact CG2-CD2 4.37Å; T740-W744 HydrophobicContact CG2-CZ2 3.76Å; T740-W744 PolarHBondContact O-N 3.41Å; T740-W744 VanDerWaalsContact O-N 3.13Å; T741-W744 HydrophobicContact CG2-CE3 4.31Å; T741-W744 HydrophobicContact CG2-CZ3 4.24Å; T741-W744 WeakPolarHBondContact O-CB 3.36Å; T741-W744 PolarHBondContact O-N 3.45Å; E742-W744 VanDerWaalsContact C-N 3.3Å; E742-W744 PolarHBondContact O-N 3.19Å; W744-K746 VanDerWaalsContact C-N 3.26Å; W744-K746 PolarHBondContact O-N 3.13Å; W744-S747 PolarHBondContact O-N 2.97Å; W744-S747 VanDerWaalsContact O-N 3.13Å; W744-S747 PolarHBondContact O-OG 3.34Å; W744-Y748 WeakPolarHBondContact O-CD2 3.23Å; W744-Y748 PolarHBondContact O-N 3.3Å; W744-K985 HydrophobicContact CH2-CB 4.46Å; W744-K985 HydrophobicContact CH2-CD 4.41Å; W744-K985 HydrophobicContact CZ3-CB 4.15Å; W744-F989 HydrophobicContact CH2-CD1 4.3Å; W744-F989 AromaticContact CH2-CD2 3.82Å; W744-F989 HydrophobicContact CH2-CD2 3.82Å; W744-F989 HydrophobicContact CH2-CE1 4.11Å; W744-F989 AromaticContact CH2-CE2 3.64Å; W744-F989 HydrophobicContact CH2-CE2 3.64Å; W744-F989 HydrophobicContact CH2-CG 4.14Å; W744-F989 AromaticContact CH2-CZ 3.77Å; W744-F989 HydrophobicContact CH2-CZ 3.77Å; W744-F989 HydrophobicContact CZ2-CE1 4.26Å; W744-F989 HydrophobicContact CZ2-CE2 4.41Å; W744-F989 HydrophobicContact CZ2-CZ 4.1Å; W744-F989 HydrophobicContact CZ3-CD2 4.31Å; W744-L1033 WeakPolarHBondContact CZ2-O 3.43Å; W744-D1034 PolarHBondContact NE1-O 3.21Å; W744-D1034 VanDerWaalsContact NE1-O 3.12Å; W744-P1036 HydrophobicContact CB-CG 3.99Å; W744-P1036 HydrophobicContact CD2-CB 4.07Å; W744-P1036 HydrophobicContact CD2-CG 4.01Å; W744-P1036 HydrophobicContact CE3-CB 4.1Å; W744-P1036 HydrophobicContact CG-CB 4.28Å; W744-P1036 HydrophobicContact CG-CG 3.75Å |
| 745 | E | 81 | Confident | 81.9 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | 177.7 | -72.1 | -173.9 | 168.5 | 0 | 0 | 112.1 | T741 E742 M750 L753 R990 | T741-E745 WeakPolarHBondContact O-CG 3.4Å; T741-E745 PolarHBondContact O-N 3.38Å; E742-E745 PolarHBondContact O-N 3.19Å; E745-M750 PolarHBondContact O-N 2.61Å; E745-L753 HydrophobicContact CG-CB 4.12Å; E745-R990 IonicContact OE1-NH2 3.78Å |
| 746 | K | 79.3 | Confident | 82.7 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.3 | -33.2 | 176.4 | -64.5 | -59.6 | 177.5 | -166.4 | 0 | 113 | F642 F737 E742 V743 W744 Y748 E749 D751 | F642-K746 HydrophobicContact CE1-CB 3.81Å; F642-K746 HydrophobicContact CE1-CG 4.47Å; F737-K746 HydrophobicContact CE1-CG 4.12Å; E742-K746 HydrophobicContact CG-CG 4.47Å; E742-K746 WeakPolarHBondContact O-CG 3.16Å; E742-K746 PolarHBondContact O-N 2.97Å; V743-K746 PolarHBondContact O-N 2.77Å; W744-K746 VanDerWaalsContact C-N 3.26Å; W744-K746 PolarHBondContact O-N 3.13Å; K746-Y748 VanDerWaalsContact C-N 3.3Å; K746-Y748 PolarHBondContact O-N 2.89Å; K746-E749 PolarHBondContact O-N 3.5Å; K746-D751 IonicContact NZ-OD1 3.93Å |
| 747 | S | 76.7 | Confident | 83.5 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 42% | 0.42 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.5 | -30.2 | 177.1 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | V743 W744 E749 | V743-S747 WeakPolarHBondContact O-CB 3.42Å; V743-S747 PolarHBondContact O-N 3.32Å; W744-S747 PolarHBondContact O-N 2.97Å; W744-S747 VanDerWaalsContact O-N 3.13Å; W744-S747 PolarHBondContact O-OG 3.34Å; S747-E749 VanDerWaalsContact C-N 3.27Å; S747-E749 PolarHBondContact O-N 2.94Å |
| 748 | Y | 81.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -8.7 | 170.7 | -74.4 | -75.5 | 0 | 0 | 0 | 113.9 | W744 K746 M750 L753 N926 L927 P1036 M1038 H1039 | W744-Y748 WeakPolarHBondContact O-CD2 3.23Å; W744-Y748 PolarHBondContact O-N 3.3Å; K746-Y748 VanDerWaalsContact C-N 3.3Å; K746-Y748 PolarHBondContact O-N 2.89Å; Y748-M750 WeakPolarHBondContact O-CG 3.14Å; Y748-M750 PolarHBondContact O-N 3.2Å; Y748-L753 HydrophobicContact CD2-CD2 3.51Å; Y748-L753 HydrophobicContact CE2-CD2 4.13Å; Y748-L753 HydrophobicContact CG-CD2 4.02Å; Y748-N926 WeakPolarHBondContact CD1-OD1 3Å; Y748-N926 PolarHBondContact O-ND2 3.05Å; Y748-L927 HydrophobicContact CE1-CB 4.2Å; Y748-P1036 HydrophobicContact CE2-CB 4.25Å; Y748-P1036 HydrophobicContact CE2-CG 3.49Å; Y748-P1036 VanDerWaalsContact CE2-CG 3.49Å; Y748-P1036 PolarHBondContact OH-O 3.12Å; Y748-M1038 HydrophobicContact CE2-CB 4.11Å; Y748-H1039 HydrophobicContact CE1-CB 4.05Å; Y748-H1039 WeakPolarHBondContact OH-CB 3.43Å; Y748-H1039 PolarHBondContact OH-N 3.01Å |
| 749 | E | 80.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 40.1 | -170.9 | -59.8 | -177.1 | 156.4 | 0 | 0 | 111.4 | R635 K746 S747 H1090 W1091 | R635-E749 IonicContact CZ-OE1 3.34Å; R635-E749 VanDerWaalsContact CZ-OE1 3.27Å; R635-E749 IonicContact CZ-OE2 3.6Å; R635-E749 IonicContact NH1-OE1 2.66Å; R635-E749 PolarHBondContact NH1-OE1 2.96Å; R635-E749 IonicContact NH1-OE2 3.55Å; R635-E749 IonicContact NH2-OE1 2.95Å; R635-E749 PolarHBondContact NH2-OE1 3.02Å; R635-E749 IonicContact NH2-OE2 3.86Å; R635-E749 PolarHBondContact NH2-OE2 3.17Å; K746-E749 PolarHBondContact O-N 3.5Å; S747-E749 VanDerWaalsContact C-N 3.27Å; S747-E749 PolarHBondContact O-N 2.94Å; E749-H1090 IonicContact OE2-CD2 3.77Å; E749-H1090 PolarHBondContact OE2-CD2 3.45Å; E749-H1090 IonicContact OE2-CG 3.35Å; E749-H1090 IonicContact OE2-NE2 3.39Å; E749-W1091 PolarHBondContact O-NE1 3.23Å |
| 750 | M | 81.5 | Confident | 84.8 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | trans | -129.6 | 110.4 | -177.7 | -73.9 | -176.7 | 71.7 | 0 | 0 | 111.5 | E745 Y748 L753 K756 L1042 W1091 I1104 | E745-M750 PolarHBondContact O-N 2.61Å; Y748-M750 WeakPolarHBondContact O-CG 3.14Å; Y748-M750 PolarHBondContact O-N 3.2Å; M750-L753 HydrophobicContact CB-CD1 4.18Å; M750-L753 HydrophobicContact CE-CD1 3.98Å; M750-L753 HydrophobicContact SD-CD1 3.91Å; M750-K756 HydrophobicContact CE-CD 3.87Å; M750-L1042 HydrophobicContact CE-CD1 4.33Å; M750-L1042 HydrophobicContact SD-CD1 3.82Å; M750-W1091 HydrophobicContact CE-CH2 4.43Å; M750-W1091 HydrophobicContact CE-CZ2 4.3Å; M750-W1091 HydrophobicContact CG-CZ2 3.61Å; M750-W1091 HydrophobicContact SD-CH2 4.38Å; M750-W1091 HydrophobicContact SD-CZ2 3.98Å; M750-I1104 HydrophobicContact CE-CD1 4.23Å | ||
| 751 | D | 78.2 | Confident | 85.2 | Confident | 111 Ų | 111 | 47 Ų | 47 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 139.7 | 173.1 | -59.2 | -44.4 | 0 | 0 | 0 | 111.3 | K746 L753 K756 | K746-D751 IonicContact NZ-OD1 3.93Å; D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 3.49Å; D751-K756 VanDerWaalsContact O-CE 3.25Å; D751-K756 WeakPolarHBondContact O-CE 3.46Å; D751-K756 PolarHBondContact O-NZ 3.06Å |
| 752 | N | 83.9 | Confident | 85.6 | Confident | 101 Ų | 101 | 48.6 Ų | 48.6 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 49.2 | 177.8 | -160.9 | 4.3 | 0 | 0 | 0 | 112.6 | E754 A755 K756 | N752-E754 VanDerWaalsContact C-N 3.26Å; N752-E754 PolarHBondContact O-N 2.91Å; N752-A755 WeakPolarHBondContact ND2-CB 3.45Å; N752-A755 PolarHBondContact O-N 3.02Å; N752-A755 VanDerWaalsContact OD1-CB 3.27Å; N752-A755 WeakPolarHBondContact OD1-CB 3.33Å; N752-K756 PolarHBondContact O-N 3.49Å |
| 753 | L | 88.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.6 | -42 | -176.9 | 179.7 | 57.4 | 0 | 0 | 0 | 111.9 | E745 Y748 M750 D751 K756 A757 W986 M1038 L1042 | E745-L753 HydrophobicContact CG-CB 4.12Å; Y748-L753 HydrophobicContact CD2-CD2 3.51Å; Y748-L753 HydrophobicContact CE2-CD2 4.13Å; Y748-L753 HydrophobicContact CG-CD2 4.02Å; M750-L753 HydrophobicContact CB-CD1 4.18Å; M750-L753 HydrophobicContact CE-CD1 3.98Å; M750-L753 HydrophobicContact SD-CD1 3.91Å; D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 3.49Å; L753-K756 PolarHBondContact O-N 2.77Å; L753-A757 WeakPolarHBondContact O-CB 3.39Å; L753-A757 PolarHBondContact O-N 2.98Å; L753-W986 HydrophobicContact CB-CZ2 4.45Å; L753-W986 HydrophobicContact CD2-CZ2 4.15Å; L753-W986 HydrophobicContact CG-CH2 4.3Å; L753-W986 HydrophobicContact CG-CZ2 4.11Å; L753-M1038 HydrophobicContact CD1-CG 3.87Å; L753-M1038 HydrophobicContact CD2-CB 4.45Å; L753-M1038 HydrophobicContact CD2-CG 4Å; L753-M1038 HydrophobicContact CG-CG 4.02Å; L753-L1042 HydrophobicContact CD1-CD1 3.97Å |
| 754 | E | 87.6 | Confident | 86.8 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -50.9 | 177.8 | -179.8 | 173.1 | 178.5 | 0 | 0 | 112.9 | N752 K756 A757 R758 L983 W986 R990 | N752-E754 VanDerWaalsContact C-N 3.26Å; N752-E754 PolarHBondContact O-N 2.91Å; E754-K756 VanDerWaalsContact C-N 3.34Å; E754-K756 PolarHBondContact O-N 3.3Å; E754-A757 PolarHBondContact O-N 3.44Å; E754-R758 WeakPolarHBondContact O-CB 3.23Å; E754-R758 PolarHBondContact O-N 3.07Å; E754-L983 HydrophobicContact CG-CD2 4.07Å; E754-W986 VanDerWaalsContact CA-CZ3 3.48Å; E754-W986 HydrophobicContact CB-CD2 4.34Å; E754-W986 HydrophobicContact CB-CE3 3.76Å; E754-W986 HydrophobicContact CB-CH2 3.69Å; E754-W986 HydrophobicContact CB-CZ2 4.23Å; E754-W986 HydrophobicContact CB-CZ3 3.44Å; E754-W986 VanDerWaalsContact CB-CZ3 3.44Å; E754-W986 HydrophobicContact CG-CD2 4.46Å; E754-W986 HydrophobicContact CG-CE3 3.57Å; E754-W986 HydrophobicContact CG-CH2 4.26Å; E754-W986 HydrophobicContact CG-CZ3 3.48Å; E754-W986 VanDerWaalsContact CG-CZ3 3.48Å; E754-R990 IonicContact OE2-CZ 2.61Å; E754-R990 IonicContact OE2-NH1 2.63Å; E754-R990 PolarHBondContact OE2-NH1 3.24Å; E754-R990 IonicContact OE2-NH2 3.56Å; E754-R990 PolarHBondContact OE2-NH2 3.4Å; E754-R990 VanDerWaalsContact OE2-NH2 3.1Å |
| 755 | A | 86.8 | Confident | 87.5 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -35.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N752 K759 | N752-A755 WeakPolarHBondContact ND2-CB 3.45Å; N752-A755 PolarHBondContact O-N 3.02Å; N752-A755 VanDerWaalsContact OD1-CB 3.27Å; N752-A755 WeakPolarHBondContact OD1-CB 3.33Å; A755-K759 PolarHBondContact O-N 3.16Å; A755-K759 VanDerWaalsContact O-N 3.1Å |
| 756 | K | 90 | Very high | 88.1 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 176.7 | -74.1 | 173.7 | 178.2 | 161.8 | 0 | 111.7 | M750 D751 N752 L753 E754 K759 L760 | M750-K756 HydrophobicContact CE-CD 3.87Å; D751-K756 VanDerWaalsContact O-CE 3.25Å; D751-K756 WeakPolarHBondContact O-CE 3.46Å; D751-K756 PolarHBondContact O-NZ 3.06Å; N752-K756 PolarHBondContact O-N 3.49Å; L753-K756 PolarHBondContact O-N 2.77Å; E754-K756 VanDerWaalsContact C-N 3.34Å; E754-K756 PolarHBondContact O-N 3.3Å; K756-K759 PolarHBondContact O-N 3.05Å; K756-L760 WeakPolarHBondContact O-CG 3.4Å; K756-L760 PolarHBondContact O-N 3.49Å; K756-L760 VanDerWaalsContact O-N 3.15Å |
| 757 | A | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L753 E754 K759 L760 W761 M1038 F1041 | L753-A757 WeakPolarHBondContact O-CB 3.39Å; L753-A757 PolarHBondContact O-N 2.98Å; E754-A757 PolarHBondContact O-N 3.44Å; A757-K759 VanDerWaalsContact C-N 3.32Å; A757-K759 PolarHBondContact O-N 2.89Å; A757-L760 PolarHBondContact O-N 3.07Å; A757-W761 PolarHBondContact O-N 3.21Å; A757-M1038 HydrophobicContact CB-CE 4.12Å; A757-M1038 HydrophobicContact CB-SD 3.55Å; A757-M1038 VanDerWaalsContact CB-SD 3.55Å; A757-F1041 HydrophobicContact CB-CD1 4.35Å; A757-F1041 HydrophobicContact CB-CE1 4.01Å |
| 758 | R | 91 | Very high | 89.9 | Confident | 100 Ų | 100 | 41.3 Ų | 41.3 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 176.1 | -173.1 | 178.5 | -176.9 | -137.9 | -3.4 | 112.6 | E754 W761 I762 | E754-R758 WeakPolarHBondContact O-CB 3.23Å; E754-R758 PolarHBondContact O-N 3.07Å; R758-W761 PolarHBondContact O-N 3.31Å; R758-I762 HydrophobicContact CG-CD1 4.19Å; R758-I762 WeakPolarHBondContact O-CG1 3.41Å; R758-I762 PolarHBondContact O-N 3.48Å; R758-I762 VanDerWaalsContact O-N 3.08Å |
| 759 | K | 91.9 | Very high | 90.5 | Very high | 138 Ų | 138 | 41.3 Ų | 41.3 | 60% | 0.6 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.2 | -45.3 | 177 | -175.5 | -178.8 | 175.3 | -178.2 | 0 | 112 | A755 K756 A757 W761 I762 E763 | A755-K759 PolarHBondContact O-N 3.16Å; A755-K759 VanDerWaalsContact O-N 3.1Å; K756-K759 PolarHBondContact O-N 3.05Å; A757-K759 VanDerWaalsContact C-N 3.32Å; A757-K759 PolarHBondContact O-N 2.89Å; K759-W761 VanDerWaalsContact C-N 3.33Å; K759-W761 PolarHBondContact O-N 2.84Å; K759-I762 PolarHBondContact O-N 3.34Å; K759-E763 PolarHBondContact O-N 3.21Å |
| 760 | L | 95.4 | Very high | 91.3 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 177.5 | -66.7 | 170 | 0 | 0 | 0 | 111.7 | K756 A757 E763 I764 F1041 L1042 I1045 I1104 V1106 | K756-L760 WeakPolarHBondContact O-CG 3.4Å; K756-L760 PolarHBondContact O-N 3.49Å; K756-L760 VanDerWaalsContact O-N 3.15Å; A757-L760 PolarHBondContact O-N 3.07Å; L760-E763 PolarHBondContact O-N 2.74Å; L760-I764 WeakPolarHBondContact O-CG1 3.34Å; L760-I764 PolarHBondContact O-N 2.69Å; L760-F1041 HydrophobicContact CB-CE1 4.16Å; L760-F1041 HydrophobicContact CB-CZ 4.19Å; L760-F1041 HydrophobicContact CD1-CE1 4.38Å; L760-L1042 HydrophobicContact CD1-CD2 3.7Å; L760-I1045 HydrophobicContact CB-CD1 4.01Å; L760-I1045 HydrophobicContact CD1-CD1 4.13Å; L760-I1104 HydrophobicContact CD1-CB 4.34Å; L760-I1104 HydrophobicContact CD1-CG2 3.84Å; L760-I1104 HydrophobicContact CD2-CG2 4.23Å; L760-V1106 HydrophobicContact CB-CG2 4.19Å; L760-V1106 HydrophobicContact CD2-CG2 3.79Å |
| 761 | W | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 175.6 | 178.8 | -107.4 | 0 | 0 | 0 | 112.5 | A757 R758 K759 E763 I764 L765 Y768 L975 A976 H979 Y1009 F1041 | A757-W761 PolarHBondContact O-N 3.21Å; R758-W761 PolarHBondContact O-N 3.31Å; K759-W761 VanDerWaalsContact C-N 3.33Å; K759-W761 PolarHBondContact O-N 2.84Å; W761-E763 PolarHBondContact O-N 3.42Å; W761-I764 HydrophobicContact CE3-CB 4.4Å; W761-I764 HydrophobicContact CE3-CG2 4.46Å; W761-I764 HydrophobicContact CZ3-CG2 4.1Å; W761-I764 PolarHBondContact O-N 3.2Å; W761-L765 HydrophobicContact CZ2-CD1 4.42Å; W761-L765 PolarHBondContact O-N 3.03Å; W761-Y768 HydrophobicContact CH2-CD1 4.48Å; W761-Y768 AromaticContact CH2-CD2 3.92Å; W761-Y768 HydrophobicContact CH2-CD2 3.92Å; W761-Y768 HydrophobicContact CH2-CE2 4.45Å; W761-Y768 AromaticContact CH2-CG 3.95Å; W761-Y768 HydrophobicContact CH2-CG 3.95Å; W761-Y768 HydrophobicContact CZ2-CD1 4.32Å; W761-Y768 HydrophobicContact CZ2-CG 4.2Å; W761-L975 HydrophobicContact CZ3-CB 4.14Å; W761-A976 HydrophobicContact CH2-CB 3.17Å; W761-A976 HydrophobicContact CZ2-CB 3.71Å; W761-A976 HydrophobicContact CZ3-CB 3.73Å; W761-H979 AromaticContact CD1-CE1 3.95Å; W761-H979 AromaticContact CD1-ND1 3.84Å; W761-H979 AromaticContact CG-CE1 3.88Å; W761-H979 AromaticContact CG-ND1 3.6Å; W761-Y1009 AromaticContact CD1-CD1 3.59Å; W761-Y1009 VanDerWaalsContact CZ2-O 3.22Å; W761-Y1009 WeakPolarHBondContact CZ2-O 3.19Å; W761-Y1009 AromaticContact NE1-CD1 3.66Å; W761-F1041 HydrophobicContact CB-CZ 4.23Å; W761-F1041 HydrophobicContact CE3-CE2 4.18Å |
| 762 | I | 93.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 33.7 Ų | 33.7 | 19% | 0.185 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -36.2 | 176.9 | -72.1 | 165 | 0 | 0 | 0 | 111.4 | R758 K759 I764 L765 P766 V1141 | R758-I762 HydrophobicContact CG-CD1 4.19Å; R758-I762 WeakPolarHBondContact O-CG1 3.41Å; R758-I762 PolarHBondContact O-N 3.48Å; R758-I762 VanDerWaalsContact O-N 3.08Å; K759-I762 PolarHBondContact O-N 3.34Å; I762-I764 VanDerWaalsContact C-N 3.31Å; I762-I764 PolarHBondContact O-N 3.29Å; I762-L765 WeakPolarHBondContact O-CB 3.23Å; I762-L765 PolarHBondContact O-N 3.47Å; I762-P766 WeakPolarHBondContact O-CD 3.25Å; I762-V1141 HydrophobicContact CD1-CG2 3.93Å; I762-V1141 HydrophobicContact CG1-CG2 4.38Å; I762-V1141 HydrophobicContact CG2-CG1 3.98Å; I762-V1141 HydrophobicContact CG2-CG2 4.01Å |
| 763 | E | 94.4 | Very high | 93.3 | Very high | 78 Ų | 78 | 28.9 Ų | 28.9 | 36% | 0.364 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -68.4 | -27.2 | 175.2 | -68.9 | 174.3 | -154.8 | 0 | 0 | 113.1 | K759 L760 W761 V1106 | K759-E763 PolarHBondContact O-N 3.21Å; L760-E763 PolarHBondContact O-N 2.74Å; W761-E763 PolarHBondContact O-N 3.42Å; E763-V1106 HydrophobicContact CB-CB 4.06Å; E763-V1106 HydrophobicContact CB-CG1 4.23Å; E763-V1106 HydrophobicContact CB-CG2 4Å |
| 764 | I | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -84.8 | -28.4 | 177.9 | -63.3 | 165.2 | 0 | 0 | 0 | 111.6 | L760 W761 I762 P766 F767 Y768 L972 L975 I1045 V1106 | L760-I764 WeakPolarHBondContact O-CG1 3.34Å; L760-I764 PolarHBondContact O-N 2.69Å; W761-I764 HydrophobicContact CE3-CB 4.4Å; W761-I764 HydrophobicContact CE3-CG2 4.46Å; W761-I764 HydrophobicContact CZ3-CG2 4.1Å; W761-I764 PolarHBondContact O-N 3.2Å; I762-I764 VanDerWaalsContact C-N 3.31Å; I762-I764 PolarHBondContact O-N 3.29Å; I764-P766 VanDerWaalsContact C-CD 3.45Å; I764-F767 PolarHBondContact O-N 3.17Å; I764-Y768 PolarHBondContact O-N 3.33Å; I764-Y768 VanDerWaalsContact O-N 3.16Å; I764-L972 HydrophobicContact CG2-CD2 3.93Å; I764-L975 HydrophobicContact CD1-CD1 4.3Å; I764-I1045 HydrophobicContact CD1-CD1 3.95Å; I764-I1045 HydrophobicContact CD1-CG1 4.19Å; I764-V1106 HydrophobicContact CD1-CG1 4.33Å; I764-V1106 HydrophobicContact CD1-CG2 4.16Å; I764-V1106 HydrophobicContact CG1-CB 4.34Å; I764-V1106 HydrophobicContact CG1-CG1 3.42Å; I764-V1106 VanDerWaalsContact CG1-CG1 3.42Å; I764-V1106 HydrophobicContact CG1-CG2 3.93Å |
| 765 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -50.5 | -41.9 | -170.7 | -176.5 | 61 | 0 | 0 | 0 | 114.8 | W761 I762 F767 Y768 E769 W1133 W1137 V1141 L1145 | W761-L765 HydrophobicContact CZ2-CD1 4.42Å; W761-L765 PolarHBondContact O-N 3.03Å; I762-L765 WeakPolarHBondContact O-CB 3.23Å; I762-L765 PolarHBondContact O-N 3.47Å; L765-F767 VanDerWaalsContact C-N 3.31Å; L765-F767 PolarHBondContact O-N 2.87Å; L765-Y768 HydrophobicContact CD1-CD1 4.4Å; L765-Y768 WeakPolarHBondContact O-CB 3.34Å; L765-Y768 PolarHBondContact O-N 2.51Å; L765-E769 HydrophobicContact CD1-CG 4.11Å; L765-E769 HydrophobicContact CG-CG 4.44Å; L765-E769 WeakPolarHBondContact O-CG 3.27Å; L765-E769 PolarHBondContact O-N 2.8Å; L765-W1133 HydrophobicContact CD1-CH2 4.19Å; L765-W1137 HydrophobicContact CD1-CZ2 4.16Å; L765-W1137 HydrophobicContact CD2-CD2 3.98Å; L765-W1137 HydrophobicContact CD2-CE3 4.31Å; L765-W1137 HydrophobicContact CD2-CH2 3.87Å; L765-W1137 HydrophobicContact CD2-CZ2 3.47Å; L765-W1137 VanDerWaalsContact CD2-CZ2 3.47Å; L765-W1137 HydrophobicContact CD2-CZ3 4.27Å; L765-W1137 HydrophobicContact CG-CZ2 4.49Å; L765-V1141 HydrophobicContact CD2-CG1 4.32Å; L765-L1145 HydrophobicContact CB-CD2 4.27Å; L765-L1145 HydrophobicContact CD2-CD1 4.19Å; L765-L1145 HydrophobicContact CD2-CD2 3.74Å; L765-L1145 HydrophobicContact CG-CD2 3.74Å |
| 766 | P | 94.5 | Very high | 94 | Very high | 37 Ų | 37 | 25 Ų | 25 | 24% | 0.24 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 176.3 | -24.6 | 33.6 | 0 | 0 | 0 | 113.9 | I762 I764 Q770 L1145 | I762-P766 WeakPolarHBondContact O-CD 3.25Å; I764-P766 VanDerWaalsContact C-CD 3.45Å; P766-Q770 VanDerWaalsContact O-CG 3.3Å; P766-Q770 WeakPolarHBondContact O-CG 3.37Å; P766-Q770 PolarHBondContact O-N 2.9Å; P766-L1145 HydrophobicContact CG-CD2 4.13Å |
| 767 | F | 96.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.9 | -40.3 | 177 | 179.1 | -155 | 0 | 0 | 0 | 111 | I764 L765 E769 Q770 L771 A968 L972 L1109 L1110 F1113 L1116 L1117 L1120 | I764-F767 PolarHBondContact O-N 3.17Å; L765-F767 VanDerWaalsContact C-N 3.31Å; L765-F767 PolarHBondContact O-N 2.87Å; F767-E769 VanDerWaalsContact C-N 3.34Å; F767-E769 PolarHBondContact O-N 2.83Å; F767-Q770 PolarHBondContact O-N 2.91Å; F767-L771 PolarHBondContact O-N 3.12Å; F767-L771 VanDerWaalsContact O-N 3.1Å; F767-A968 HydrophobicContact CZ-CB 4.14Å; F767-L972 HydrophobicContact CD1-CD1 3.72Å; F767-L972 HydrophobicContact CD1-CD2 3.88Å; F767-L972 HydrophobicContact CD1-CG 4.36Å; F767-L972 HydrophobicContact CD2-CD1 4.09Å; F767-L972 HydrophobicContact CE1-CD1 3.65Å; F767-L972 HydrophobicContact CE1-CD2 3.98Å; F767-L972 HydrophobicContact CE1-CG 4.16Å; F767-L972 HydrophobicContact CE2-CD1 4.01Å; F767-L972 HydrophobicContact CG-CD1 3.95Å; F767-L972 HydrophobicContact CZ-CD1 3.79Å; F767-L1109 HydrophobicContact CD1-CD2 4.13Å; F767-L1109 HydrophobicContact CE1-CD2 4.23Å; F767-L1110 HydrophobicContact CB-CD2 4.03Å; F767-L1110 HydrophobicContact CD1-CD2 4.11Å; F767-L1110 HydrophobicContact CG-CD2 4.43Å; F767-F1113 HydrophobicContact CE1-CB 3.64Å; F767-F1113 HydrophobicContact CE1-CD1 4.37Å; F767-F1113 AromaticContact CE1-CD2 3.86Å; F767-F1113 HydrophobicContact CE1-CD2 3.86Å; F767-F1113 AromaticContact CE1-CG 3.7Å; F767-F1113 HydrophobicContact CE1-CG 3.7Å; F767-F1113 HydrophobicContact CZ-CB 3.6Å; F767-F1113 HydrophobicContact CZ-CD1 4.05Å; F767-F1113 HydrophobicContact CZ-CD2 4.34Å; F767-F1113 AromaticContact CZ-CG 3.75Å; F767-F1113 HydrophobicContact CZ-CG 3.75Å; F767-L1116 HydrophobicContact CE2-CD2 4.37Å; F767-L1116 HydrophobicContact CZ-CD2 4.2Å; F767-L1117 HydrophobicContact CB-CD1 4.06Å; F767-L1117 HydrophobicContact CD2-CD1 3.5Å; F767-L1117 VanDerWaalsContact CD2-CD1 3.5Å; F767-L1117 HydrophobicContact CE2-CD1 4.27Å; F767-L1117 HydrophobicContact CG-CD1 4.02Å; F767-L1120 HydrophobicContact CD2-CD1 4.38Å; F767-L1120 HydrophobicContact CE2-CD1 3.9Å |
| 768 | Y | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 174.1 | -178.3 | -96.9 | 0 | 0 | 0 | 111.9 | W761 I764 L765 Q770 L771 H772 W805 L972 A976 Q1010 W1133 | W761-Y768 HydrophobicContact CH2-CD1 4.48Å; W761-Y768 AromaticContact CH2-CD2 3.92Å; W761-Y768 HydrophobicContact CH2-CD2 3.92Å; W761-Y768 HydrophobicContact CH2-CE2 4.45Å; W761-Y768 AromaticContact CH2-CG 3.95Å; W761-Y768 HydrophobicContact CH2-CG 3.95Å; W761-Y768 HydrophobicContact CZ2-CD1 4.32Å; W761-Y768 HydrophobicContact CZ2-CG 4.2Å; I764-Y768 PolarHBondContact O-N 3.33Å; I764-Y768 VanDerWaalsContact O-N 3.16Å; L765-Y768 HydrophobicContact CD1-CD1 4.4Å; L765-Y768 WeakPolarHBondContact O-CB 3.34Å; L765-Y768 PolarHBondContact O-N 2.51Å; Y768-Q770 PolarHBondContact O-N 3.27Å; Y768-L771 PolarHBondContact O-N 3.41Å; Y768-H772 HydrophobicContact CE1-CB 4.44Å; Y768-H772 VanDerWaalsContact O-CB 3.32Å; Y768-H772 WeakPolarHBondContact O-CB 3.44Å; Y768-H772 PolarHBondContact O-N 3.37Å; Y768-W805 HydrophobicContact CE2-CH2 4.08Å; Y768-W805 AromaticContact CZ-CH2 3.95Å; Y768-L972 HydrophobicContact CD2-CB 4.07Å; Y768-A976 HydrophobicContact CE2-CB 4.2Å; Y768-Q1010 VanDerWaalsContact CE1-O 3.24Å; Y768-Q1010 WeakPolarHBondContact CE1-O 3.48Å; Y768-Q1010 PolarHBondContact OH-O 3.34Å; Y768-W1133 AromaticContact CD1-CH2 3.93Å; Y768-W1133 HydrophobicContact CD1-CH2 3.93Å; Y768-W1133 HydrophobicContact CD1-CZ3 4.05Å; Y768-W1133 AromaticContact CE1-CH2 3.69Å; Y768-W1133 HydrophobicContact CE1-CH2 3.69Å; Y768-W1133 AromaticContact CE1-CZ3 3.76Å; Y768-W1133 HydrophobicContact CE1-CZ3 3.76Å |
| 769 | E | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.4 | -32.7 | 179.5 | -72.6 | -172.5 | 155.7 | 0 | 0 | 113.6 | L765 F767 H772 A773 W1133 P1146 R1149 | L765-E769 HydrophobicContact CD1-CG 4.11Å; L765-E769 HydrophobicContact CG-CG 4.44Å; L765-E769 WeakPolarHBondContact O-CG 3.27Å; L765-E769 PolarHBondContact O-N 2.8Å; F767-E769 VanDerWaalsContact C-N 3.34Å; F767-E769 PolarHBondContact O-N 2.83Å; E769-H772 PolarHBondContact O-N 3.3Å; E769-A773 VanDerWaalsContact O-CB 3.27Å; E769-A773 WeakPolarHBondContact O-CB 3.44Å; E769-A773 PolarHBondContact O-N 3.2Å; E769-W1133 HydrophobicContact CG-CH2 4.38Å; E769-W1133 HydrophobicContact CG-CZ3 3.99Å; E769-P1146 HydrophobicContact CB-CG 4.2Å; E769-P1146 WeakPolarHBondContact OE2-CD 3.03Å; E769-R1149 IonicContact OE1-CZ 3.39Å; E769-R1149 IonicContact OE1-NH1 3.17Å; E769-R1149 PolarHBondContact OE1-NH1 3.34Å; E769-R1149 IonicContact OE1-NH2 3.05Å; E769-R1149 PolarHBondContact OE1-NH2 2.58Å; E769-R1149 IonicContact OE2-CZ 3.52Å; E769-R1149 IonicContact OE2-NH1 3.87Å; E769-R1149 PolarHBondContact OE2-NH1 2.93Å; E769-R1149 IonicContact OE2-NH2 2.82Å |
| 770 | Q | 95.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 12.9 Ų | 12.9 | 6% | 0.056 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 171.5 | -75.5 | -77.5 | 3.4 | 0 | 0 | 111.3 | P766 F767 Y768 F774 L1117 L1120 N1121 N1124 Y1131 | P766-Q770 VanDerWaalsContact O-CG 3.3Å; P766-Q770 WeakPolarHBondContact O-CG 3.37Å; P766-Q770 PolarHBondContact O-N 2.9Å; F767-Q770 PolarHBondContact O-N 2.91Å; Y768-Q770 PolarHBondContact O-N 3.27Å; Q770-F774 WeakPolarHBondContact O-CB 3.48Å; Q770-F774 PolarHBondContact O-N 3.11Å; Q770-F774 VanDerWaalsContact O-N 3.14Å; Q770-L1117 HydrophobicContact CB-CD1 4.46Å; Q770-L1117 HydrophobicContact CG-CD1 4.26Å; Q770-L1120 HydrophobicContact CB-CB 4.21Å; Q770-L1120 HydrophobicContact CB-CD1 4.3Å; Q770-N1121 PolarHBondContact NE2-OD1 3.46Å; Q770-N1124 PolarHBondContact O-ND2 3.08Å; Q770-N1124 PolarHBondContact OE1-ND2 2.74Å; Q770-Y1131 HydrophobicContact CG-CE1 4.4Å; Q770-Y1131 VanDerWaalsContact OE1-CE1 3.25Å |
| 771 | L | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 176.2 | -177.9 | 64.3 | 0 | 0 | 0 | 111.2 | F767 Y768 A773 F774 V775 W805 M965 A968 L969 L972 L1120 | F767-L771 PolarHBondContact O-N 3.12Å; F767-L771 VanDerWaalsContact O-N 3.1Å; Y768-L771 PolarHBondContact O-N 3.41Å; L771-A773 PolarHBondContact O-N 3.34Å; L771-F774 PolarHBondContact O-N 2.81Å; L771-V775 HydrophobicContact CD1-CG2 4.18Å; L771-V775 HydrophobicContact CG-CG2 4.3Å; L771-V775 WeakPolarHBondContact O-CB 3.47Å; L771-V775 VanDerWaalsContact O-CG2 3.3Å; L771-V775 WeakPolarHBondContact O-CG2 3.17Å; L771-V775 PolarHBondContact O-N 2.79Å; L771-W805 HydrophobicContact CD2-CE3 4.34Å; L771-W805 HydrophobicContact CD2-CZ3 4.33Å; L771-W805 HydrophobicContact CG-CZ3 4.28Å; L771-M965 HydrophobicContact CD1-SD 3.83Å; L771-A968 HydrophobicContact CD2-CB 4.32Å; L771-L969 HydrophobicContact CD1-CD2 4.03Å; L771-L969 HydrophobicContact CD2-CD2 4.34Å; L771-L972 HydrophobicContact CB-CD1 4.28Å; L771-L972 HydrophobicContact CD2-CB 4.29Å; L771-L972 HydrophobicContact CD2-CD1 3.79Å; L771-L1120 HydrophobicContact CB-CD1 4.35Å; L771-L1120 HydrophobicContact CD1-CD1 4.47Å |
| 772 | H | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 178.4 | -175.3 | -73.7 | 0 | 0 | 0 | 111.7 | Y768 E769 F774 V775 R776 G1011 W1133 | Y768-H772 HydrophobicContact CE1-CB 4.44Å; Y768-H772 VanDerWaalsContact O-CB 3.32Å; Y768-H772 WeakPolarHBondContact O-CB 3.44Å; Y768-H772 PolarHBondContact O-N 3.37Å; E769-H772 PolarHBondContact O-N 3.3Å; H772-F774 VanDerWaalsContact C-N 3.34Å; H772-F774 PolarHBondContact O-N 2.82Å; H772-V775 PolarHBondContact O-N 3.47Å; H772-R776 PolarHBondContact CE1-NH1 2.87Å; H772-R776 VanDerWaalsContact CE1-NH1 3.26Å; H772-R776 PolarHBondContact ND1-NH1 3.37Å; H772-R776 WeakPolarHBondContact O-CB 3.27Å; H772-R776 PolarHBondContact O-N 3.29Å; H772-G1011 PolarHBondContact NE2-O 3.48Å; H772-G1011 VanDerWaalsContact NE2-O 3.13Å; H772-W1133 AromaticContact CE1-CE3 3.93Å; H772-W1133 AromaticContact NE2-CE3 3.85Å |
| 773 | A | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E769 L771 F777 C1130 Y1131 | E769-A773 VanDerWaalsContact O-CB 3.27Å; E769-A773 WeakPolarHBondContact O-CB 3.44Å; E769-A773 PolarHBondContact O-N 3.2Å; L771-A773 PolarHBondContact O-N 3.34Å; A773-F777 WeakPolarHBondContact O-CB 3.23Å; A773-F777 PolarHBondContact O-N 3.37Å; A773-C1130 WeakPolarHBondContact CB-O 3.33Å; A773-Y1131 HydrophobicContact CB-CD1 3.8Å; A773-Y1131 HydrophobicContact CB-CE1 4.15Å |
| 774 | F | 93.2 | Very high | 89.5 | Confident | 10 Ų | 10 | 11.5 Ų | 11.5 | 4% | 0.044 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.7 | -42.1 | 177.8 | -179.9 | -103.3 | 0 | 0 | 0 | 112.4 | Q770 L771 H772 F777 N778 T812 M965 F1119 L1120 T1123 | Q770-F774 WeakPolarHBondContact O-CB 3.48Å; Q770-F774 PolarHBondContact O-N 3.11Å; Q770-F774 VanDerWaalsContact O-N 3.14Å; L771-F774 PolarHBondContact O-N 2.81Å; H772-F774 VanDerWaalsContact C-N 3.34Å; H772-F774 PolarHBondContact O-N 2.82Å; F774-F777 PolarHBondContact O-N 3.44Å; F774-N778 WeakPolarHBondContact CE1-ND2 3.43Å; F774-N778 WeakPolarHBondContact CE2-ND2 3.4Å; F774-N778 VanDerWaalsContact CZ-ND2 3.3Å; F774-N778 WeakPolarHBondContact CZ-ND2 3.27Å; F774-N778 PolarHBondContact O-N 3.25Å; F774-N778 VanDerWaalsContact O-N 3.1Å; F774-N778 PolarHBondContact O-ND2 3.01Å; F774-T812 HydrophobicContact CE1-CG2 4.42Å; F774-T812 WeakPolarHBondContact CE1-O 3.4Å; F774-M965 HydrophobicContact CD1-CE 3.91Å; F774-M965 HydrophobicContact CE1-CE 3.5Å; F774-M965 VanDerWaalsContact CE1-CE 3.5Å; F774-M965 HydrophobicContact CZ-CE 4.27Å; F774-F1119 HydrophobicContact CE2-CE1 4.15Å; F774-F1119 HydrophobicContact CE2-CZ 4.39Å; F774-F1119 HydrophobicContact CZ-CE1 4.01Å; F774-F1119 HydrophobicContact CZ-CZ 4.31Å; F774-L1120 HydrophobicContact CB-CD2 3.55Å; F774-L1120 HydrophobicContact CD1-CD2 3.71Å; F774-L1120 HydrophobicContact CD2-CD2 4.08Å; F774-L1120 HydrophobicContact CE1-CD2 4.42Å; F774-L1120 HydrophobicContact CG-CD2 3.5Å; F774-L1120 VanDerWaalsContact CG-CD2 3.5Å; F774-T1123 HydrophobicContact CD2-CG2 4.09Å; F774-T1123 HydrophobicContact CE2-CG2 3.8Å |
| 775 | V | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 110 | L771 H772 F777 N778 L779 L792 W805 L808 T812 L969 | L771-V775 HydrophobicContact CD1-CG2 4.18Å; L771-V775 HydrophobicContact CG-CG2 4.3Å; L771-V775 WeakPolarHBondContact O-CB 3.47Å; L771-V775 VanDerWaalsContact O-CG2 3.3Å; L771-V775 WeakPolarHBondContact O-CG2 3.17Å; L771-V775 PolarHBondContact O-N 2.79Å; H772-V775 PolarHBondContact O-N 3.47Å; V775-F777 VanDerWaalsContact C-N 3.33Å; V775-F777 PolarHBondContact O-N 3.39Å; V775-N778 PolarHBondContact O-N 3.21Å; V775-N778 VanDerWaalsContact O-N 3.1Å; V775-L779 HydrophobicContact CG1-CD1 3.71Å; V775-L779 HydrophobicContact CG1-CG 4.04Å; V775-L779 WeakPolarHBondContact O-CB 3.46Å; V775-L779 VanDerWaalsContact O-CG 3.31Å; V775-L779 WeakPolarHBondContact O-CG 3.37Å; V775-L779 PolarHBondContact O-N 2.78Å; V775-L792 HydrophobicContact CG1-CD1 4.08Å; V775-W805 HydrophobicContact CB-CZ3 4.4Å; V775-W805 HydrophobicContact CG1-CE3 4.43Å; V775-W805 HydrophobicContact CG2-CE3 3.9Å; V775-W805 HydrophobicContact CG2-CZ3 4.09Å; V775-L808 HydrophobicContact CG1-CD1 3.66Å; V775-T812 HydrophobicContact CG2-CG2 4.3Å; V775-L969 HydrophobicContact CG2-CD2 3.93Å |
| 776 | R | 92 | Very high | 87.5 | Confident | 5 Ų | 5 | 21.2 Ų | 21.2 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.7 | -47.9 | 175.9 | -177.9 | 173.4 | 55.5 | -127.8 | -9 | 111.6 | H772 N778 L779 Q780 S790 L792 C1130 G1132 C1150 W1156 | H772-R776 PolarHBondContact CE1-NH1 2.87Å; H772-R776 VanDerWaalsContact CE1-NH1 3.26Å; H772-R776 PolarHBondContact ND1-NH1 3.37Å; H772-R776 WeakPolarHBondContact O-CB 3.27Å; H772-R776 PolarHBondContact O-N 3.29Å; R776-N778 VanDerWaalsContact C-N 3.3Å; R776-N778 PolarHBondContact O-N 2.76Å; R776-L779 PolarHBondContact O-N 3.42Å; R776-Q780 WeakPolarHBondContact O-CB 3.46Å; R776-Q780 PolarHBondContact O-N 2.76Å; R776-S790 WeakPolarHBondContact CD-O 3.38Å; R776-S790 PolarHBondContact NH1-O 2.67Å; R776-L792 HydrophobicContact CB-CD2 3.91Å; R776-L792 HydrophobicContact CG-CD2 4.17Å; R776-C1130 PolarHBondContact NH2-O 3.42Å; R776-G1132 PolarHBondContact NH1-O 2.84Å; R776-C1150 PolarHBondContact NH2-SG 2.8Å; R776-W1156 HydrophobicContact CG-CZ2 4.11Å |
| 777 | F | 87.8 | Confident | 87.1 | Confident | 27 Ų | 27 | 20.8 Ų | 20.8 | 12% | 0.118 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.4 | -39.2 | 177.4 | 175.6 | -94.8 | 0 | 0 | 0 | 113 | A773 F774 V775 Q780 F781 K1127 N1129 | A773-F777 WeakPolarHBondContact O-CB 3.23Å; A773-F777 PolarHBondContact O-N 3.37Å; F774-F777 PolarHBondContact O-N 3.44Å; V775-F777 VanDerWaalsContact C-N 3.33Å; V775-F777 PolarHBondContact O-N 3.39Å; F777-Q780 VanDerWaalsContact CE2-NE2 3.34Å; F777-Q780 WeakPolarHBondContact O-CG 3.35Å; F777-Q780 PolarHBondContact O-NE2 3.32Å; F777-F781 HydrophobicContact CD1-CE2 4.02Å; F777-F781 HydrophobicContact CD2-CE2 4.23Å; F777-F781 AromaticContact CE1-CE2 3.6Å; F777-F781 HydrophobicContact CE1-CE2 3.6Å; F777-F781 HydrophobicContact CE1-CZ 4.25Å; F777-F781 AromaticContact CE2-CE2 3.83Å; F777-F781 HydrophobicContact CE2-CE2 3.83Å; F777-F781 AromaticContact CE2-CZ 3.82Å; F777-F781 HydrophobicContact CE2-CZ 3.82Å; F777-F781 HydrophobicContact CG-CE2 4.32Å; F777-F781 AromaticContact CZ-CE2 3.49Å; F777-F781 HydrophobicContact CZ-CE2 3.49Å; F777-F781 VanDerWaalsContact CZ-CE2 3.49Å; F777-F781 AromaticContact CZ-CZ 3.65Å; F777-F781 HydrophobicContact CZ-CZ 3.65Å; F777-F781 WeakPolarHBondContact O-CD2 3.43Å; F777-F781 WeakPolarHBondContact O-CE2 3.34Å; F777-K1127 HydrophobicContact CD2-CB 4.3Å; F777-K1127 HydrophobicContact CE1-CD 4.26Å; F777-K1127 HydrophobicContact CE1-CG 4.03Å; F777-K1127 HydrophobicContact CE2-CB 3.9Å; F777-K1127 HydrophobicContact CE2-CD 4.13Å; F777-K1127 HydrophobicContact CE2-CG 4.01Å; F777-K1127 HydrophobicContact CZ-CB 4.11Å; F777-K1127 HydrophobicContact CZ-CD 3.61Å; F777-K1127 HydrophobicContact CZ-CG 3.68Å; F777-N1129 VanDerWaalsContact CB-ND2 3.34Å; F777-N1129 WeakPolarHBondContact CB-ND2 3.19Å; F777-N1129 WeakPolarHBondContact CD2-OD1 3.43Å |
| 778 | N | 86.7 | Confident | 86.6 | Confident | 36 Ų | 36 | 25.3 Ų | 25.3 | 19% | 0.193 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -77.3 | -34.9 | 178.4 | -74.1 | -74.4 | 0 | 0 | 0 | 112.4 | F774 V775 R776 Q780 K811 T812 | F774-N778 WeakPolarHBondContact CE1-ND2 3.43Å; F774-N778 WeakPolarHBondContact CE2-ND2 3.4Å; F774-N778 VanDerWaalsContact CZ-ND2 3.3Å; F774-N778 WeakPolarHBondContact CZ-ND2 3.27Å; F774-N778 PolarHBondContact O-N 3.25Å; F774-N778 VanDerWaalsContact O-N 3.1Å; F774-N778 PolarHBondContact O-ND2 3.01Å; V775-N778 PolarHBondContact O-N 3.21Å; V775-N778 VanDerWaalsContact O-N 3.1Å; R776-N778 VanDerWaalsContact C-N 3.3Å; R776-N778 PolarHBondContact O-N 2.76Å; N778-Q780 VanDerWaalsContact C-N 3.33Å; N778-K811 PolarHBondContact OD1-O 3.25Å; N778-T812 HydrophobicContact CB-CG2 4.08Å |
| 779 | L | 88.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.2 | -28.4 | 177.2 | -67.9 | -173 | 0 | 0 | 0 | 112.7 | V775 R776 F781 I782 Y783 L792 I796 L797 L808 W1156 | V775-L779 HydrophobicContact CG1-CD1 3.71Å; V775-L779 HydrophobicContact CG1-CG 4.04Å; V775-L779 WeakPolarHBondContact O-CB 3.46Å; V775-L779 VanDerWaalsContact O-CG 3.31Å; V775-L779 WeakPolarHBondContact O-CG 3.37Å; V775-L779 PolarHBondContact O-N 2.78Å; R776-L779 PolarHBondContact O-N 3.42Å; L779-F781 PolarHBondContact O-N 3.42Å; L779-I782 HydrophobicContact CD2-CD1 4.19Å; L779-I782 WeakPolarHBondContact O-CB 3.07Å; L779-I782 PolarHBondContact O-N 2.77Å; L779-Y783 HydrophobicContact CB-CD2 4.19Å; L779-Y783 HydrophobicContact CB-CE2 4.49Å; L779-Y783 HydrophobicContact CD2-CE2 4.08Å; L779-Y783 WeakPolarHBondContact O-CD2 3.41Å; L779-Y783 PolarHBondContact O-N 3.47Å; L779-L792 HydrophobicContact CD1-CD2 4.32Å; L779-I796 HydrophobicContact CD1-CD1 3.91Å; L779-I796 HydrophobicContact CD1-CG1 4.36Å; L779-L797 HydrophobicContact CD1-CD2 4.14Å; L779-L808 HydrophobicContact CD1-CD1 4.03Å; L779-L808 HydrophobicContact CD2-CD1 4.31Å; L779-L808 HydrophobicContact CD2-CD2 4.06Å; L779-W1156 HydrophobicContact CB-CH2 4.11Å; L779-W1156 HydrophobicContact CB-CZ3 4.01Å |
| 780 | Q | 81.6 | Confident | 86 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.7 | -31.5 | -179.6 | 88.3 | -163.7 | -14 | 0 | 0 | 113.3 | R776 F777 N778 I782 V784 W1156 P1157 | R776-Q780 WeakPolarHBondContact O-CB 3.46Å; R776-Q780 PolarHBondContact O-N 2.76Å; F777-Q780 VanDerWaalsContact CE2-NE2 3.34Å; F777-Q780 WeakPolarHBondContact O-CG 3.35Å; F777-Q780 PolarHBondContact O-NE2 3.32Å; N778-Q780 VanDerWaalsContact C-N 3.33Å; Q780-I782 VanDerWaalsContact C-N 3.3Å; Q780-I782 PolarHBondContact O-N 3.32Å; Q780-V784 WeakPolarHBondContact O-CA 3.21Å; Q780-V784 VanDerWaalsContact O-CG2 3.26Å; Q780-V784 WeakPolarHBondContact O-CG2 3.09Å; Q780-V784 PolarHBondContact O-N 2.83Å; Q780-W1156 HydrophobicContact CB-CB 4.06Å; Q780-W1156 HydrophobicContact CB-CD2 3.96Å; Q780-W1156 HydrophobicContact CB-CE3 3.89Å; Q780-W1156 HydrophobicContact CB-CG 4.09Å; Q780-W1156 HydrophobicContact CB-CZ3 4.49Å; Q780-P1157 VanDerWaalsContact CD-CG 3.48Å; Q780-P1157 HydrophobicContact CG-CG 3.81Å |
| 781 | F | 73.5 | Confident | 85.9 | Confident | 53 Ų | 53 | 26.6 Ų | 26.6 | 23% | 0.232 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -15.6 | 177.2 | -60.2 | -69.3 | 0 | 0 | 0 | 113.5 | F777 L779 V784 | F777-F781 HydrophobicContact CD1-CE2 4.02Å; F777-F781 HydrophobicContact CD2-CE2 4.23Å; F777-F781 AromaticContact CE1-CE2 3.6Å; F777-F781 HydrophobicContact CE1-CE2 3.6Å; F777-F781 HydrophobicContact CE1-CZ 4.25Å; F777-F781 AromaticContact CE2-CE2 3.83Å; F777-F781 HydrophobicContact CE2-CE2 3.83Å; F777-F781 AromaticContact CE2-CZ 3.82Å; F777-F781 HydrophobicContact CE2-CZ 3.82Å; F777-F781 HydrophobicContact CG-CE2 4.32Å; F777-F781 AromaticContact CZ-CE2 3.49Å; F777-F781 HydrophobicContact CZ-CE2 3.49Å; F777-F781 VanDerWaalsContact CZ-CE2 3.49Å; F777-F781 AromaticContact CZ-CZ 3.65Å; F777-F781 HydrophobicContact CZ-CZ 3.65Å; F777-F781 WeakPolarHBondContact O-CD2 3.43Å; F777-F781 WeakPolarHBondContact O-CE2 3.34Å; L779-F781 PolarHBondContact O-N 3.42Å; F781-V784 WeakPolarHBondContact O-CG2 3.37Å |
| 782 | I | 77 | Confident | 85.8 | Confident | 35 Ų | 35 | 26.6 Ų | 26.6 | 18% | 0.179 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -44.4 | 178.9 | -60.2 | 171.7 | 0 | 0 | 0 | 109.3 | T697 L779 Q780 K811 | T697-I782 HydrophobicContact CG2-CG2 3.98Å; L779-I782 HydrophobicContact CD2-CD1 4.19Å; L779-I782 WeakPolarHBondContact O-CB 3.07Å; L779-I782 PolarHBondContact O-N 2.77Å; Q780-I782 VanDerWaalsContact C-N 3.3Å; Q780-I782 PolarHBondContact O-N 3.32Å; I782-K811 HydrophobicContact CD1-CB 4.27Å; I782-K811 HydrophobicContact CD1-CD 3.48Å; I782-K811 VanDerWaalsContact CD1-CD 3.48Å; I782-K811 HydrophobicContact CD1-CG 3.91Å |
| 783 | Y | 82 | Confident | 85.7 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -106.7 | 43.3 | -176.8 | -52.2 | -71.3 | 0 | 0 | 0 | 112.2 | T697 V699 L702 L779 D785 Q786 F787 I796 W1156 | T697-Y783 VanDerWaalsContact O-CE1 3.25Å; T697-Y783 WeakPolarHBondContact O-CE1 3.47Å; V699-Y783 HydrophobicContact CG2-CD1 3.22Å; V699-Y783 HydrophobicContact CG2-CE1 3.57Å; V699-Y783 HydrophobicContact CG2-CG 4.28Å; L702-Y783 HydrophobicContact CD1-CE1 4.27Å; L702-Y783 WeakPolarHBondContact CD1-OH 3.32Å; L779-Y783 HydrophobicContact CB-CD2 4.19Å; L779-Y783 HydrophobicContact CB-CE2 4.49Å; L779-Y783 HydrophobicContact CD2-CE2 4.08Å; L779-Y783 WeakPolarHBondContact O-CD2 3.41Å; L779-Y783 PolarHBondContact O-N 3.47Å; Y783-D785 PolarHBondContact O-N 2.92Å; Y783-Q786 WeakPolarHBondContact O-CB 3.5Å; Y783-Q786 WeakPolarHBondContact O-CG 3.2Å; Y783-Q786 PolarHBondContact O-N 2.89Å; Y783-Q786 VanDerWaalsContact O-N 3.11Å; Y783-F787 HydrophobicContact CD1-CE2 4.48Å; Y783-F787 HydrophobicContact CD2-CE2 4.47Å; Y783-F787 AromaticContact CG-CE2 3.99Å; Y783-F787 HydrophobicContact CG-CE2 3.99Å; Y783-I796 HydrophobicContact CD1-CG2 4.37Å; Y783-I796 HydrophobicContact CD2-CB 4.3Å; Y783-I796 HydrophobicContact CD2-CD1 3.93Å; Y783-I796 HydrophobicContact CD2-CG2 4.29Å; Y783-I796 HydrophobicContact CE1-CG2 3.9Å; Y783-I796 HydrophobicContact CE2-CB 3.64Å; Y783-I796 HydrophobicContact CE2-CD1 4.02Å; Y783-I796 HydrophobicContact CE2-CG1 4.39Å; Y783-I796 HydrophobicContact CE2-CG2 3.86Å; Y783-W1156 HydrophobicContact CD2-CZ3 4.12Å; Y783-W1156 HydrophobicContact CG-CZ3 4.44Å |
| 784 | V | 68.6 | Low | 85.7 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 130.5 | 178.8 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | Q780 F781 Q786 P1157 F1158 K1163 | Q780-V784 WeakPolarHBondContact O-CA 3.21Å; Q780-V784 VanDerWaalsContact O-CG2 3.26Å; Q780-V784 WeakPolarHBondContact O-CG2 3.09Å; Q780-V784 PolarHBondContact O-N 2.83Å; F781-V784 WeakPolarHBondContact O-CG2 3.37Å; V784-Q786 PolarHBondContact O-N 3.37Å; V784-P1157 WeakPolarHBondContact CG1-O 3.46Å; V784-P1157 WeakPolarHBondContact CG2-O 3.39Å; V784-F1158 HydrophobicContact CG1-CB 4.03Å; V784-F1158 HydrophobicContact CG1-CD2 3.83Å; V784-F1158 HydrophobicContact CG1-CG 4.34Å; V784-K1163 HydrophobicContact CB-CD 4.43Å |
| 785 | D | 70.6 | Confident | 85.6 | Confident | 99 Ų | 99 | 26.4 Ų | 26.4 | 53% | 0.529 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 16.8 | -178.7 | -51.4 | -39.8 | 0 | 0 | 0 | 115.6 | Y783 F1158 | Y783-D785 PolarHBondContact O-N 2.92Å; D785-F1158 WeakPolarHBondContact OD2-CD2 3.26Å |
| 786 | Q | 79.6 | Confident | 85.6 | Confident | 104 Ų | 104 | 26.5 Ų | 26.5 | 49% | 0.486 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -26.5 | 179.8 | -61.9 | -62.1 | -62.3 | 0 | 0 | 113.2 | V699 Y783 V784 | V699-Q786 HydrophobicContact CG2-CG 4.07Å; Y783-Q786 WeakPolarHBondContact O-CB 3.5Å; Y783-Q786 WeakPolarHBondContact O-CG 3.2Å; Y783-Q786 PolarHBondContact O-N 2.89Å; Y783-Q786 VanDerWaalsContact O-N 3.11Å; V784-Q786 PolarHBondContact O-N 3.37Å |
| 787 | F | 85.3 | Confident | 85.6 | Confident | 29 Ų | 29 | 26.3 Ų | 26.3 | 13% | 0.127 | 13% | 0.131 | C | C | . | . | trans | -135.8 | 139.7 | -171.4 | -52.4 | -63.2 | 0 | 0 | 0 | 110.6 | V699 Y783 P793 H795 I796 W1156 | V699-F787 HydrophobicContact CG1-CE1 4.45Å; V699-F787 HydrophobicContact CG1-CZ 3.98Å; V699-F787 HydrophobicContact CG2-CZ 4.45Å; Y783-F787 HydrophobicContact CD1-CE2 4.48Å; Y783-F787 HydrophobicContact CD2-CE2 4.47Å; Y783-F787 AromaticContact CG-CE2 3.99Å; Y783-F787 HydrophobicContact CG-CE2 3.99Å; F787-P793 HydrophobicContact CD1-CG 3.65Å; F787-P793 HydrophobicContact CD2-CG 4.35Å; F787-P793 HydrophobicContact CE1-CB 4.23Å; F787-P793 HydrophobicContact CE1-CG 3.68Å; F787-P793 HydrophobicContact CE2-CG 4.36Å; F787-P793 HydrophobicContact CG-CG 4Å; F787-P793 HydrophobicContact CZ-CB 4.44Å; F787-P793 HydrophobicContact CZ-CG 4.04Å; F787-H795 AromaticContact CE1-CE1 3.79Å; F787-H795 AromaticContact CZ-CE1 3.74Å; F787-H795 AromaticContact CZ-NE2 3.76Å; F787-I796 HydrophobicContact CD2-CD1 4.42Å; F787-I796 HydrophobicContact CE2-CD1 3.89Å; F787-I796 HydrophobicContact CE2-CG2 4.07Å; F787-I796 HydrophobicContact CZ-CG2 3.92Å; F787-W1156 HydrophobicContact CB-CD2 4.17Å; F787-W1156 HydrophobicContact CB-CZ2 4.33Å; F787-W1156 HydrophobicContact CD2-CD2 4.29Å; F787-W1156 AromaticContact CD2-CE3 3.84Å; F787-W1156 HydrophobicContact CD2-CE3 3.84Å; F787-W1156 AromaticContact CD2-CH2 3.87Å; F787-W1156 HydrophobicContact CD2-CH2 3.87Å; F787-W1156 HydrophobicContact CD2-CZ2 4.18Å; F787-W1156 AromaticContact CD2-CZ3 3.69Å; F787-W1156 HydrophobicContact CD2-CZ3 3.69Å; F787-W1156 HydrophobicContact CE2-CZ3 4.27Å | ||
| 788 | N | 85.3 | Confident | 85.5 | Confident | 98 Ų | 98 | 25.3 Ų | 25.3 | 52% | 0.524 | 13% | 0.129 | S | C | . | . | trans | -118.2 | 23.9 | 178.1 | 65.5 | -14.2 | 0 | 0 | 0 | 111.8 | H1153 M1154 | N788-H1153 VanDerWaalsContact O-CA 3.3Å; N788-H1153 WeakPolarHBondContact O-CA 3.49Å; N788-M1154 CarbonylContact C-O 3.5Å; N788-M1154 VanDerWaalsContact CA-O 3.26Å; N788-M1154 WeakPolarHBondContact CA-O 3.31Å; N788-M1154 PolarHBondContact O-N 2.79Å | ||
| 789 | I | 89.7 | Confident | 85.5 | Confident | 39 Ų | 39 | 24.1 Ų | 24.1 | 20% | 0.2 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -124 | 145.7 | -176.5 | -169.1 | 172.7 | 0 | 0 | 0 | 109.6 | A791 V1013 E1152 M1154 W1156 | I789-A791 HydrophobicContact CD1-CB 3.98Å; I789-A791 HydrophobicContact CG1-CB 4.05Å; I789-V1013 HydrophobicContact CD1-CG1 4.04Å; I789-V1013 HydrophobicContact CD1-CG2 4.2Å; I789-E1152 WeakPolarHBondContact CA-O 3.37Å; I789-E1152 WeakPolarHBondContact CG1-O 3.19Å; I789-M1154 PolarHBondContact N-O 2.82Å; I789-W1156 PolarHBondContact O-NE1 3.12Å |
| 790 | S | 90.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -81.4 | -23.1 | 177.2 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | R776 W1133 D1151 E1152 | R776-S790 WeakPolarHBondContact CD-O 3.38Å; R776-S790 PolarHBondContact NH1-O 2.67Å; S790-W1133 WeakPolarHBondContact OG-CA 3.39Å; S790-D1151 WeakPolarHBondContact CB-O 3.37Å; S790-D1151 PolarHBondContact OG-O 2.94Å; S790-E1152 PolarHBondContact N-O 2.93Å; S790-E1152 PolarHBondContact OG-O 3.17Å |
| 791 | A | 93.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -66.9 | 151.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I789 P793 G1011 V1013 W1133 | I789-A791 HydrophobicContact CD1-CB 3.98Å; I789-A791 HydrophobicContact CG1-CB 4.05Å; A791-P793 WeakPolarHBondContact O-CD 3.37Å; A791-G1011 CarbonylContact C-O 3.53Å; A791-G1011 WeakPolarHBondContact CA-O 3.16Å; A791-G1011 WeakPolarHBondContact CB-O 3.27Å; A791-V1013 HydrophobicContact CB-CG1 3.76Å; A791-V1013 HydrophobicContact CB-CG2 4.2Å; A791-W1133 HydrophobicContact CB-CB 4.04Å |
| 792 | L | 94 | Very high | 86.2 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.7 | 179.2 | -68.6 | 171.3 | 0 | 0 | 0 | 110.1 | V775 R776 L779 A794 L797 W805 G1011 I1012 V1013 W1156 | V775-L792 HydrophobicContact CG1-CD1 4.08Å; R776-L792 HydrophobicContact CB-CD2 3.91Å; R776-L792 HydrophobicContact CG-CD2 4.17Å; L779-L792 HydrophobicContact CD1-CD2 4.32Å; L792-A794 PolarHBondContact O-N 2.72Å; L792-L797 HydrophobicContact CB-CD1 4.1Å; L792-L797 HydrophobicContact CB-CD2 4.13Å; L792-L797 HydrophobicContact CB-CG 4.5Å; L792-L797 HydrophobicContact CD1-CD2 4Å; L792-W805 HydrophobicContact CD1-CH2 4.2Å; L792-G1011 PolarHBondContact N-O 2.93Å; L792-I1012 VanDerWaalsContact O-CA 3.26Å; L792-I1012 WeakPolarHBondContact O-CA 3.43Å; L792-V1013 PolarHBondContact O-N 2.69Å; L792-W1156 HydrophobicContact CD2-CH2 4.12Å; L792-W1156 HydrophobicContact CD2-CZ2 4.13Å |
| 793 | P | 94.2 | Very high | 86.6 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.032 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 135 | 173.3 | -24.5 | 35.1 | 0 | 0 | 0 | 112.1 | F787 A791 H795 I796 V1013 | F787-P793 HydrophobicContact CD1-CG 3.65Å; F787-P793 HydrophobicContact CD2-CG 4.35Å; F787-P793 HydrophobicContact CE1-CB 4.23Å; F787-P793 HydrophobicContact CE1-CG 3.68Å; F787-P793 HydrophobicContact CE2-CG 4.36Å; F787-P793 HydrophobicContact CG-CG 4Å; F787-P793 HydrophobicContact CZ-CB 4.44Å; F787-P793 HydrophobicContact CZ-CG 4.04Å; A791-P793 WeakPolarHBondContact O-CD 3.37Å; P793-H795 VanDerWaalsContact C-N 3.3Å; P793-H795 WeakPolarHBondContact CB-CE1 3.48Å; P793-H795 VanDerWaalsContact CB-ND1 3.33Å; P793-H795 WeakPolarHBondContact CB-ND1 3.13Å; P793-H795 PolarHBondContact O-N 3.28Å; P793-I796 HydrophobicContact CB-CG1 4.37Å; P793-I796 WeakPolarHBondContact O-CG1 3.48Å; P793-I796 PolarHBondContact O-N 3.48Å; P793-V1013 WeakPolarHBondContact CA-O 3.45Å; P793-V1013 HydrophobicContact CG-CG2 4.43Å |
| 794 | A | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -57.8 | -39.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W706 L792 I796 L797 A802 W1003 I1012 V1013 | W706-A794 HydrophobicContact CZ2-CB 4.48Å; L792-A794 PolarHBondContact O-N 2.72Å; A794-I796 PolarHBondContact O-N 3.49Å; A794-L797 PolarHBondContact O-N 2.88Å; A794-A802 HydrophobicContact CB-CB 4.37Å; A794-W1003 HydrophobicContact CB-CH2 4.15Å; A794-W1003 HydrophobicContact CB-CZ3 4.44Å; A794-I1012 HydrophobicContact CB-CG2 3.75Å; A794-V1013 PolarHBondContact N-O 3.04Å |
| 795 | H | 91.9 | Very high | 88 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -63.5 | -20.1 | -175.9 | 65 | -57 | 0 | 0 | 0 | 115.9 | M693 L702 N703 W706 F787 P793 P1015 | M693-H795 HydrophobicContact CE-CB 4.24Å; M693-H795 VanDerWaalsContact CE-O 3.22Å; M693-H795 WeakPolarHBondContact CE-O 3.43Å; L702-H795 HydrophobicContact CB-CB 4.21Å; N703-H795 PolarHBondContact N-CD2 3.24Å; W706-H795 HydrophobicContact CB-CB 3.76Å; W706-H795 HydrophobicContact CG-CB 4Å; F787-H795 AromaticContact CE1-CE1 3.79Å; F787-H795 AromaticContact CZ-CE1 3.74Å; F787-H795 AromaticContact CZ-NE2 3.76Å; P793-H795 VanDerWaalsContact C-N 3.3Å; P793-H795 WeakPolarHBondContact CB-CE1 3.48Å; P793-H795 VanDerWaalsContact CB-ND1 3.33Å; P793-H795 WeakPolarHBondContact CB-ND1 3.13Å; P793-H795 PolarHBondContact O-N 3.28Å; H795-P1015 HydrophobicContact CB-CB 4.23Å; H795-P1015 HydrophobicContact CB-CG 3.52Å; H795-P1015 VanDerWaalsContact ND1-CB 3.33Å; H795-P1015 WeakPolarHBondContact ND1-CB 3.41Å; H795-P1015 VanDerWaalsContact ND1-CG 3.31Å; H795-P1015 WeakPolarHBondContact ND1-CG 3.44Å |
| 796 | I | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -95.1 | 3.4 | -179.4 | 64.4 | 164.4 | 0 | 0 | 0 | 113.4 | L702 L779 Y783 F787 P793 A794 W1156 | L702-I796 HydrophobicContact CD1-CG2 4.28Å; L779-I796 HydrophobicContact CD1-CD1 3.91Å; L779-I796 HydrophobicContact CD1-CG1 4.36Å; Y783-I796 HydrophobicContact CD1-CG2 4.37Å; Y783-I796 HydrophobicContact CD2-CB 4.3Å; Y783-I796 HydrophobicContact CD2-CD1 3.93Å; Y783-I796 HydrophobicContact CD2-CG2 4.29Å; Y783-I796 HydrophobicContact CE1-CG2 3.9Å; Y783-I796 HydrophobicContact CE2-CB 3.64Å; Y783-I796 HydrophobicContact CE2-CD1 4.02Å; Y783-I796 HydrophobicContact CE2-CG1 4.39Å; Y783-I796 HydrophobicContact CE2-CG2 3.86Å; F787-I796 HydrophobicContact CD2-CD1 4.42Å; F787-I796 HydrophobicContact CE2-CD1 3.89Å; F787-I796 HydrophobicContact CE2-CG2 4.07Å; F787-I796 HydrophobicContact CZ-CG2 3.92Å; P793-I796 HydrophobicContact CB-CG1 4.37Å; P793-I796 WeakPolarHBondContact O-CG1 3.48Å; P793-I796 PolarHBondContact O-N 3.48Å; A794-I796 PolarHBondContact O-N 3.49Å; I796-W1156 HydrophobicContact CD1-CH2 3.72Å; I796-W1156 HydrophobicContact CD1-CZ3 4.22Å |
| 797 | L | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -95.2 | 6.6 | -174.5 | -61.9 | 175.1 | 0 | 0 | 0 | 113.7 | L779 L792 A794 A802 W805 L808 I1012 | L779-L797 HydrophobicContact CD1-CD2 4.14Å; L792-L797 HydrophobicContact CB-CD1 4.1Å; L792-L797 HydrophobicContact CB-CD2 4.13Å; L792-L797 HydrophobicContact CB-CG 4.5Å; L792-L797 HydrophobicContact CD1-CD2 4Å; A794-L797 PolarHBondContact O-N 2.88Å; L797-A802 HydrophobicContact CB-CB 3.9Å; L797-A802 HydrophobicContact CD1-CB 3.74Å; L797-A802 HydrophobicContact CG-CB 4.42Å; L797-W805 HydrophobicContact CD1-CZ2 4.18Å; L797-L808 HydrophobicContact CD2-CD1 4.12Å; L797-I1012 HydrophobicContact CD1-CD1 3.83Å; L797-I1012 HydrophobicContact CD1-CG1 3.98Å; L797-I1012 HydrophobicContact CD1-CG2 4.3Å |
| 798 | G | 85.8 | Confident | 89.3 | Confident | 7 Ų | 7 | 13.4 Ų | 13.4 | 7% | 0.072 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 85.4 | 4.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | A694 | A694-G798 PolarHBondContact N-O 3.36Š|
| 799 | S | 87.2 | Confident | 89.4 | Confident | 10 Ų | 10 | 9.3 Ų | 9.3 | 7% | 0.07 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -150.8 | 154.3 | 173.4 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | N690 M693 T801 A802 A803 S804 | N690-S799 VanDerWaalsContact OD1-CA 3.24Å; N690-S799 WeakPolarHBondContact OD1-CA 3.21Å; N690-S799 WeakPolarHBondContact OD1-CB 3.26Å; M693-S799 WeakPolarHBondContact CE-O 3.21Å; M693-S799 VanDerWaalsContact SD-C 3.59Å; S799-T801 PolarHBondContact O-N 3.33Å; S799-A802 PolarHBondContact O-N 3.49Å; S799-A802 VanDerWaalsContact O-N 3.14Å; S799-A802 VanDerWaalsContact OG-CA 3.31Å; S799-A802 WeakPolarHBondContact OG-CA 3.27Å; S799-A802 PolarHBondContact OG-N 2.96Å; S799-A803 PolarHBondContact OG-N 3.31Å; S799-S804 PolarHBondContact OG-O 3.31Å |
| 800 | V | 84.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -33.4 | -179.2 | -65.2 | 0 | 0 | 0 | 0 | 112 | Y686 C689 N690 M693 W706 W709 H710 | Y686-V800 HydrophobicContact CD2-CG2 3.91Å; Y686-V800 HydrophobicContact CE2-CG2 3.56Å; C689-V800 HydrophobicContact CB-CG1 3.79Å; N690-V800 PolarHBondContact OD1-N 2.82Å; M693-V800 VanDerWaalsContact SD-CA 3.56Å; M693-V800 HydrophobicContact SD-CB 4.08Å; M693-V800 HydrophobicContact SD-CG1 3.4Å; M693-V800 WeakPolarHBondContact SD-CG1 3.33Å; M693-V800 PolarHBondContact SD-N 2.95Å; M693-V800 VanDerWaalsContact SD-N 3.41Å; W706-V800 PolarHBondContact NE1-O 3.49Å; W709-V800 HydrophobicContact CB-CG1 4.22Å; W709-V800 HydrophobicContact CD2-CG1 4.32Å; W709-V800 HydrophobicContact CG-CB 4.16Å; W709-V800 HydrophobicContact CG-CG1 3.92Å; W709-V800 HydrophobicContact CG-CG2 4.48Å; H710-V800 PolarHBondContact CE1-O 3.49Å; H710-V800 VanDerWaalsContact CE1-O 3.29Å |
| 801 | T | 85.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 16.6 Ų | 16.6 | 3% | 0.025 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -9 | -179.7 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | Y686 S799 A803 R1006 E1028 | Y686-T801 HydrophobicContact CE2-CG2 4.16Å; S799-T801 PolarHBondContact O-N 3.33Å; T801-A803 PolarHBondContact O-N 2.97Å; T801-A803 WeakPolarHBondContact OG1-CB 3.38Å; T801-A803 PolarHBondContact OG1-N 2.92Å; T801-R1006 PolarHBondContact O-NH2 2.89Å; T801-E1028 HydrophobicContact CG2-CB 3.96Å; T801-E1028 HydrophobicContact CG2-CG 4.19Å |
| 802 | A | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | 50.5 | 23.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A794 L797 S799 W805 I1012 | A794-A802 HydrophobicContact CB-CB 4.37Å; L797-A802 HydrophobicContact CB-CB 3.9Å; L797-A802 HydrophobicContact CD1-CB 3.74Å; L797-A802 HydrophobicContact CG-CB 4.42Å; S799-A802 PolarHBondContact O-N 3.49Å; S799-A802 VanDerWaalsContact O-N 3.14Å; S799-A802 VanDerWaalsContact OG-CA 3.31Å; S799-A802 WeakPolarHBondContact OG-CA 3.27Å; S799-A802 PolarHBondContact OG-N 2.96Å; A802-W805 PolarHBondContact O-NE1 3.45Å; A802-W805 VanDerWaalsContact O-NE1 3.09Å; A802-I1012 HydrophobicContact CB-CD1 4.11Å | ||
| 803 | A | 84.5 | Confident | 87.7 | Confident | 5 Ų | 5 | 17.6 Ų | 17.6 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | trans | -80.3 | -21.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S799 T801 Q974 L977 | S799-A803 PolarHBondContact OG-N 3.31Å; T801-A803 PolarHBondContact O-N 2.97Å; T801-A803 WeakPolarHBondContact OG1-CB 3.38Å; T801-A803 PolarHBondContact OG1-N 2.92Å; A803-Q974 PolarHBondContact O-N 2.94Å; A803-L977 HydrophobicContact CB-CD2 3.42Å; A803-L977 VanDerWaalsContact CB-CD2 3.42Å | ||
| 804 | S | 87.3 | Confident | 87.3 | Confident | 33 Ų | 33 | 18.8 Ų | 18.8 | 23% | 0.231 | 11% | 0.108 | C | C | . | . | trans | -128.7 | 129 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | S799 T806 | S799-S804 PolarHBondContact OG-O 3.31Å; S804-T806 WeakPolarHBondContact OG-CG2 3.46Å; S804-T806 PolarHBondContact OG-N 3.45Å; S804-T806 PolarHBondContact OG-OG1 3.05Å | ||
| 805 | W | 93.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -101.8 | 14.1 | 175.7 | -59.6 | -7.2 | 0 | 0 | 0 | 111.7 | Y768 L771 V775 L792 L797 A802 A807 L808 L969 P973 I1012 | Y768-W805 HydrophobicContact CE2-CH2 4.08Å; Y768-W805 AromaticContact CZ-CH2 3.95Å; L771-W805 HydrophobicContact CD2-CE3 4.34Å; L771-W805 HydrophobicContact CD2-CZ3 4.33Å; L771-W805 HydrophobicContact CG-CZ3 4.28Å; V775-W805 HydrophobicContact CB-CZ3 4.4Å; V775-W805 HydrophobicContact CG1-CE3 4.43Å; V775-W805 HydrophobicContact CG2-CE3 3.9Å; V775-W805 HydrophobicContact CG2-CZ3 4.09Å; L792-W805 HydrophobicContact CD1-CH2 4.2Å; L797-W805 HydrophobicContact CD1-CZ2 4.18Å; A802-W805 PolarHBondContact O-NE1 3.45Å; A802-W805 VanDerWaalsContact O-NE1 3.09Å; W805-A807 PolarHBondContact O-N 2.92Å; W805-A807 VanDerWaalsContact O-N 3.17Å; W805-L808 HydrophobicContact CB-CD1 4.18Å; W805-L808 HydrophobicContact CB-CG 4.46Å; W805-L808 VanDerWaalsContact O-CB 3.29Å; W805-L808 WeakPolarHBondContact O-CB 3.22Å; W805-L808 PolarHBondContact O-N 3.12Å; W805-L969 HydrophobicContact CB-CB 4.16Å; W805-L969 HydrophobicContact CB-CD2 3.82Å; W805-L969 WeakPolarHBondContact CB-O 3.47Å; W805-L969 HydrophobicContact CE3-CD2 4.22Å; W805-L969 PolarHBondContact N-O 3.11Å; W805-P973 HydrophobicContact CB-CG 4.33Å; W805-P973 HydrophobicContact CD2-CB 4.1Å; W805-P973 HydrophobicContact CD2-CG 3.38Å; W805-P973 HydrophobicContact CE3-CG 3.74Å; W805-P973 HydrophobicContact CG-CB 4.26Å; W805-P973 HydrophobicContact CG-CG 3.65Å; W805-P973 HydrophobicContact CH2-CG 4.43Å; W805-P973 HydrophobicContact CZ2-CB 4.25Å; W805-P973 HydrophobicContact CZ2-CG 4.12Å; W805-P973 HydrophobicContact CZ3-CG 4.26Å; W805-I1012 HydrophobicContact CZ2-CD1 4.16Å | ||
| 806 | T | 87.8 | Confident | 85.4 | Confident | 43 Ų | 43 | 25.1 Ų | 25.1 | 26% | 0.264 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -61.9 | -25.9 | -177.1 | 56 | 0 | 0 | 0 | 0 | 113.1 | S804 L808 F809 E970 | S804-T806 WeakPolarHBondContact OG-CG2 3.46Å; S804-T806 PolarHBondContact OG-N 3.45Å; S804-T806 PolarHBondContact OG-OG1 3.05Å; T806-L808 PolarHBondContact O-N 3.24Å; T806-F809 WeakPolarHBondContact O-CB 3.38Å; T806-F809 PolarHBondContact O-N 3.42Å; T806-E970 HydrophobicContact CG2-CB 3.7Å; T806-E970 HydrophobicContact CG2-CG 4.28Å |
| 807 | A | 85.4 | Confident | 84 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -59.6 | -27.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A694 W805 F809 | A694-A807 HydrophobicContact CB-CB 3.64Å; W805-A807 PolarHBondContact O-N 2.92Å; W805-A807 VanDerWaalsContact O-N 3.17Å; A807-F809 VanDerWaalsContact C-N 3.26Å; A807-F809 PolarHBondContact O-N 2.89Å |
| 808 | L | 89 | Confident | 82.5 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -79.1 | -8.8 | 178.7 | -52 | -174.5 | 0 | 0 | 0 | 112.7 | V775 L779 L797 W805 T806 Q810 K811 T812 | V775-L808 HydrophobicContact CG1-CD1 3.66Å; L779-L808 HydrophobicContact CD1-CD1 4.03Å; L779-L808 HydrophobicContact CD2-CD1 4.31Å; L779-L808 HydrophobicContact CD2-CD2 4.06Å; L797-L808 HydrophobicContact CD2-CD1 4.12Å; W805-L808 HydrophobicContact CB-CD1 4.18Å; W805-L808 HydrophobicContact CB-CG 4.46Å; W805-L808 VanDerWaalsContact O-CB 3.29Å; W805-L808 WeakPolarHBondContact O-CB 3.22Å; W805-L808 PolarHBondContact O-N 3.12Å; T806-L808 PolarHBondContact O-N 3.24Å; L808-Q810 VanDerWaalsContact C-N 3.32Å; L808-Q810 PolarHBondContact O-N 3.07Å; L808-K811 CarbonylContact O-C 3.53Å; L808-K811 WeakPolarHBondContact O-CA 3.28Å; L808-K811 WeakPolarHBondContact O-CB 3.3Å; L808-K811 PolarHBondContact O-N 2.98Å; L808-T812 HydrophobicContact CB-CG2 4.29Å; L808-T812 PolarHBondContact O-N 3.08Å; L808-T812 PolarHBondContact O-OG1 3.45Å |
| 809 | F | 87.2 | Confident | 81 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.1 | -43.2 | -171.6 | 174.2 | -115.4 | 0 | 0 | 0 | 113.6 | T806 A807 K811 T812 A813 I820 N962 M965 M966 L969 | T806-F809 WeakPolarHBondContact O-CB 3.38Å; T806-F809 PolarHBondContact O-N 3.42Å; A807-F809 VanDerWaalsContact C-N 3.26Å; A807-F809 PolarHBondContact O-N 2.89Å; F809-K811 PolarHBondContact O-N 3.42Å; F809-T812 WeakPolarHBondContact CA-OG1 3.31Å; F809-T812 CarbonylContact O-C 3.33Å; F809-T812 PolarHBondContact O-N 3.22Å; F809-T812 VanDerWaalsContact O-N 3.12Å; F809-A813 HydrophobicContact CE2-CB 4.13Å; F809-A813 HydrophobicContact CZ-CB 4.25Å; F809-A813 WeakPolarHBondContact O-CA 2.99Å; F809-A813 WeakPolarHBondContact O-CB 3.45Å; F809-A813 PolarHBondContact O-N 2.93Å; F809-I820 HydrophobicContact CD1-CD1 4.34Å; F809-I820 HydrophobicContact CE1-CD1 3.54Å; F809-I820 HydrophobicContact CE1-CG1 3.91Å; F809-I820 HydrophobicContact CE1-CG2 4.2Å; F809-I820 HydrophobicContact CZ-CD1 4.27Å; F809-I820 HydrophobicContact CZ-CG1 4.34Å; F809-N962 HydrophobicContact CE2-CB 4.28Å; F809-N962 VanDerWaalsContact CE2-O 3.31Å; F809-N962 WeakPolarHBondContact CE2-O 3.14Å; F809-N962 HydrophobicContact CZ-CB 3.93Å; F809-M965 HydrophobicContact CD2-CG 4.2Å; F809-M965 HydrophobicContact CE2-CB 4.28Å; F809-M965 HydrophobicContact CE2-CG 4.37Å; F809-M966 HydrophobicContact CB-CG 4.43Å; F809-M966 HydrophobicContact CD1-CE 4.39Å; F809-M966 HydrophobicContact CD1-CG 3.77Å; F809-M966 HydrophobicContact CD1-SD 3.95Å; F809-M966 HydrophobicContact CD2-CB 4.41Å; F809-M966 HydrophobicContact CD2-CG 3.32Å; F809-M966 HydrophobicContact CD2-SD 4.48Å; F809-M966 HydrophobicContact CE1-CG 3.74Å; F809-M966 HydrophobicContact CE1-SD 3.63Å; F809-M966 HydrophobicContact CE2-CG 3.33Å; F809-M966 HydrophobicContact CE2-SD 4.23Å; F809-M966 HydrophobicContact CG-CG 3.55Å; F809-M966 HydrophobicContact CG-SD 4.36Å; F809-M966 HydrophobicContact CZ-CG 3.55Å; F809-M966 HydrophobicContact CZ-SD 3.79Å; F809-L969 HydrophobicContact CB-CD1 4.07Å; F809-L969 HydrophobicContact CD2-CD1 4.29Å |
| 810 | Q | 80.4 | Confident | 79.6 | Confident | 126 Ų | 126 | 43 Ų | 43 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.3 | -26.8 | 178 | -72.2 | -176.2 | -18.7 | 0 | 0 | 113 | L808 | L808-Q810 VanDerWaalsContact C-N 3.32Å; L808-Q810 PolarHBondContact O-N 3.07Å |
| 811 | K | 81.5 | Confident | 78.3 | Confident | 65 Ų | 65 | 45.1 Ų | 45.1 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -90.3 | -18 | 179.8 | -59.3 | 159.6 | -176.5 | -66.3 | 0 | 111.8 | T697 N778 I782 L808 F809 | T697-K811 VanDerWaalsContact CG2-NZ 3.3Å; N778-K811 PolarHBondContact OD1-O 3.25Å; I782-K811 HydrophobicContact CD1-CB 4.27Å; I782-K811 HydrophobicContact CD1-CD 3.48Å; I782-K811 VanDerWaalsContact CD1-CD 3.48Å; I782-K811 HydrophobicContact CD1-CG 3.91Å; L808-K811 CarbonylContact O-C 3.53Å; L808-K811 WeakPolarHBondContact O-CA 3.28Å; L808-K811 WeakPolarHBondContact O-CB 3.3Å; L808-K811 PolarHBondContact O-N 2.98Å; F809-K811 PolarHBondContact O-N 3.42Å |
| 812 | T | 86.6 | Confident | 77.4 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -120.4 | 10.4 | -175 | 57.9 | 0 | 0 | 0 | 0 | 113 | F774 V775 N778 L808 F809 P814 M965 L969 | F774-T812 HydrophobicContact CE1-CG2 4.42Å; F774-T812 WeakPolarHBondContact CE1-O 3.4Å; V775-T812 HydrophobicContact CG2-CG2 4.3Å; N778-T812 HydrophobicContact CB-CG2 4.08Å; L808-T812 HydrophobicContact CB-CG2 4.29Å; L808-T812 PolarHBondContact O-N 3.08Å; L808-T812 PolarHBondContact O-OG1 3.45Å; F809-T812 WeakPolarHBondContact CA-OG1 3.31Å; F809-T812 CarbonylContact O-C 3.33Å; F809-T812 PolarHBondContact O-N 3.22Å; F809-T812 VanDerWaalsContact O-N 3.12Å; T812-P814 VanDerWaalsContact O-CD 3.31Å; T812-P814 WeakPolarHBondContact O-CD 3.43Å; T812-M965 WeakPolarHBondContact O-CE 3.32Å; T812-L969 WeakPolarHBondContact OG1-CD1 3.26Å |
| 813 | A | 84.5 | Confident | 76.6 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | trans | -63.6 | 125.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F809 C815 | F809-A813 HydrophobicContact CE2-CB 4.13Å; F809-A813 HydrophobicContact CZ-CB 4.25Å; F809-A813 WeakPolarHBondContact O-CA 2.99Å; F809-A813 WeakPolarHBondContact O-CB 3.45Å; F809-A813 PolarHBondContact O-N 2.93Å; A813-C815 PolarHBondContact O-N 2.96Å | ||
| 814 | P | 84.1 | Confident | 76 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -53.1 | -33.8 | 172.4 | -30.9 | 35.7 | 0 | 0 | 0 | 114.3 | T812 L961 N962 M965 F1119 | T812-P814 VanDerWaalsContact O-CD 3.31Å; T812-P814 WeakPolarHBondContact O-CD 3.43Å; P814-L961 HydrophobicContact CB-CB 4.01Å; P814-L961 HydrophobicContact CG-CB 4.2Å; P814-N962 WeakPolarHBondContact CD-OD1 3.49Å; P814-M965 HydrophobicContact CG-CB 4.01Å; P814-M965 HydrophobicContact CG-CE 3.74Å; P814-M965 HydrophobicContact CG-CG 4.4Å; P814-F1119 HydrophobicContact CB-CD1 4.45Å; P814-F1119 HydrophobicContact CB-CE1 3.95Å; P814-F1119 HydrophobicContact CB-CE2 4.03Å; P814-F1119 HydrophobicContact CB-CZ 3.72Å; P814-F1119 HydrophobicContact CG-CD1 4.25Å; P814-F1119 HydrophobicContact CG-CE1 3.83Å; P814-F1119 HydrophobicContact CG-CZ 4.12Å |
| 815 | C | 75.8 | Confident | 75.2 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | trans | -128 | 116 | 172.5 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | A813 C818 N962 | A813-C815 PolarHBondContact O-N 2.96Å; C815-C818 HydrophobicContact CB-CB 3.79Å; C815-C818 WeakPolarHBondContact CB-SG 2.97Å; C815-C818 WeakPolarHBondContact SG-CB 3.42Å; C815-C818 PolarHBondContact SG-N 3.04Å; C815-C818 CovalentContact SG-SG 2.04Å; C815-C818 PolarHBondContact SG-SG 3.18Å; C815-N962 PolarHBondContact N-OD1 3.19Å; C815-N962 PolarHBondContact O-ND2 3.34Å | ||
| 816 | S | 68.9 | Low | 74.2 | Confident | 103 Ų | 103 | 58.4 Ų | 58.4 | 72% | 0.72 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -77 | -35.3 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | C818 | S816-C818 VanDerWaalsContact C-N 3.34Š|
| 817 | D | 62.5 | Low | 73.9 | Confident | 152 Ų | 152 | 56.4 Ų | 56.4 | 81% | 0.813 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -88.4 | -6.3 | -172.9 | -59.5 | -13.3 | 0 | 0 | 0 | 112.6 | ||
| 818 | C | 62.4 | Low | 73.6 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -76.9 | 129.2 | 178.8 | -65.2 | 0 | 0 | 0 | 0 | 109.9 | C815 S816 I820 D959 | C815-C818 HydrophobicContact CB-CB 3.79Å; C815-C818 WeakPolarHBondContact CB-SG 2.97Å; C815-C818 WeakPolarHBondContact SG-CB 3.42Å; C815-C818 PolarHBondContact SG-N 3.04Å; C815-C818 CovalentContact SG-SG 2.04Å; C815-C818 PolarHBondContact SG-SG 3.18Å; S816-C818 VanDerWaalsContact C-N 3.34Å; C818-I820 PolarHBondContact O-N 3.29Å; C818-D959 PolarHBondContact SG-OD2 3.35Å; C818-D959 VanDerWaalsContact SG-OD2 3.35Å |
| 819 | P | 54.9 | Low | 72.9 | Confident | 126 Ų | 126 | 65.5 Ų | 65.5 | 82% | 0.818 | 35% | 0.347 | S | S | * | . | trans | -62 | 111.5 | 178.8 | 23 | -31.2 | 0 | 0 | 0 | 110.3 | V821 | P819-V821 PolarHBondContact O-N 3.25Š| ||
| 820 | I | 57.1 | Low | 72.5 | Confident | 85 Ų | 85 | 68.3 Ų | 68.3 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | trans | -71.7 | 118.5 | 169.1 | -60.3 | 157.8 | 0 | 0 | 0 | 106.2 | F809 C818 N822 | F809-I820 HydrophobicContact CD1-CD1 4.34Å; F809-I820 HydrophobicContact CE1-CD1 3.54Å; F809-I820 HydrophobicContact CE1-CG1 3.91Å; F809-I820 HydrophobicContact CE1-CG2 4.2Å; F809-I820 HydrophobicContact CZ-CD1 4.27Å; F809-I820 HydrophobicContact CZ-CG1 4.34Å; C818-I820 PolarHBondContact O-N 3.29Å; I820-N822 PolarHBondContact O-N 2.68Å | ||
| 821 | V | 57.6 | Low | 72.6 | Confident | 43 Ų | 43 | 69 Ų | 69 | 26% | 0.261 | 37% | 0.37 | S | S | . | . | trans | -64.9 | 110.1 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | P819 R823 T953 | P819-V821 PolarHBondContact O-N 3.25Å; V821-R823 VanDerWaalsContact C-N 3.31Å; V821-R823 HydrophobicContact CG1-CG 4.48Å; V821-R823 PolarHBondContact O-N 3.17Å; V821-T953 HydrophobicContact CB-CG2 4.38Å; V821-T953 HydrophobicContact CG1-CG2 4.01Å; V821-T953 HydrophobicContact CG2-CG2 4.09Å | ||
| 822 | N | 64.5 | Low | 72.8 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | trans | -67.5 | 94.8 | 166.6 | -171.4 | -12.9 | 0 | 0 | 0 | 108.4 | I820 E824 E825 T826 | I820-N822 PolarHBondContact O-N 2.68Å; N822-E824 VanDerWaalsContact C-N 3.28Å; N822-E824 PolarHBondContact O-N 3.02Å; N822-E824 PolarHBondContact OD1-N 2.89Å; N822-E825 HydrophobicContact CB-CB 3.91Å; N822-E825 VanDerWaalsContact CG-CB 3.44Å; N822-E825 WeakPolarHBondContact ND2-CB 3.3Å; N822-E825 PolarHBondContact ND2-OE2 2.93Å; N822-E825 PolarHBondContact OD1-N 3.22Å; N822-E825 VanDerWaalsContact OD1-N 3.16Å; N822-T826 PolarHBondContact O-N 3.41Å; N822-T826 VanDerWaalsContact O-N 3.13Å; N822-T826 PolarHBondContact O-OG1 3.31Å | ||
| 823 | R | 72.9 | Confident | 72.9 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 13% | 0.132 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -36.1 | -176.5 | -64.1 | 180 | 179.9 | 173 | -6 | 111.1 | V821 T826 L827 W895 | V821-R823 VanDerWaalsContact C-N 3.31Å; V821-R823 HydrophobicContact CG1-CG 4.48Å; V821-R823 PolarHBondContact O-N 3.17Å; R823-T826 PolarHBondContact O-N 3.32Å; R823-L827 WeakPolarHBondContact O-CG 3.48Å; R823-L827 PolarHBondContact O-N 2.91Å; R823-W895 HydrophobicContact CB-CB 4.16Å; R823-W895 HydrophobicContact CB-CD2 3.92Å; R823-W895 HydrophobicContact CB-CE3 3.81Å; R823-W895 HydrophobicContact CB-CG 4.04Å; R823-W895 VanDerWaalsContact CD-CD2 3.42Å; R823-W895 VanDerWaalsContact CD-CE2 3.47Å; R823-W895 HydrophobicContact CG-CD2 4.3Å; R823-W895 HydrophobicContact CG-CE3 4.32Å; R823-W895 VanDerWaalsContact NH1-CZ2 3.25Å; R823-W895 VanDerWaalsContact NH1-NE1 3.16Å |
| 824 | E | 71.5 | Confident | 73 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -47.9 | 179.8 | -69.2 | 177.3 | 178.9 | 0 | 0 | 111.6 | N822 T826 L827 L828 W895 | N822-E824 VanDerWaalsContact C-N 3.28Å; N822-E824 PolarHBondContact O-N 3.02Å; N822-E824 PolarHBondContact OD1-N 2.89Å; E824-T826 PolarHBondContact O-N 3.49Å; E824-L827 PolarHBondContact O-N 2.82Å; E824-L827 VanDerWaalsContact O-N 3.16Å; E824-L828 WeakPolarHBondContact O-CG 3.49Å; E824-L828 PolarHBondContact O-N 3.42Å; E824-W895 HydrophobicContact CG-CB 3.85Å |
| 825 | E | 71.1 | Confident | 73.3 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.2 | -35.2 | 174.9 | -173.9 | -178.6 | 173.2 | 0 | 0 | 111.8 | N822 L828 R829 | N822-E825 HydrophobicContact CB-CB 3.91Å; N822-E825 VanDerWaalsContact CG-CB 3.44Å; N822-E825 WeakPolarHBondContact ND2-CB 3.3Å; N822-E825 PolarHBondContact ND2-OE2 2.93Å; N822-E825 PolarHBondContact OD1-N 3.22Å; N822-E825 VanDerWaalsContact OD1-N 3.16Å; E825-L828 PolarHBondContact O-N 3.07Å; E825-R829 WeakPolarHBondContact O-CB 3.42Å; E825-R829 PolarHBondContact O-N 2.9Å |
| 826 | T | 72.5 | Confident | 73.9 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 176.4 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | N822 R823 E824 R829 L830 L952 | N822-T826 PolarHBondContact O-N 3.41Å; N822-T826 VanDerWaalsContact O-N 3.13Å; N822-T826 PolarHBondContact O-OG1 3.31Å; R823-T826 PolarHBondContact O-N 3.32Å; E824-T826 PolarHBondContact O-N 3.49Å; T826-R829 PolarHBondContact O-N 2.96Å; T826-L830 HydrophobicContact CG2-CD1 4.07Å; T826-L830 WeakPolarHBondContact O-CB 3.46Å; T826-L830 WeakPolarHBondContact O-CG 3.49Å; T826-L830 PolarHBondContact O-N 2.99Å; T826-L830 VanDerWaalsContact O-N 3.08Å; T826-L952 HydrophobicContact CG2-CD2 4.28Å; T826-L952 WeakPolarHBondContact CG2-O 3.22Å |
| 827 | L | 81.7 | Confident | 75 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 173.7 | -71.7 | 168.8 | 0 | 0 | 0 | 110.9 | R823 E824 L830 N831 Y832 V893 W895 F898 L952 | R823-L827 WeakPolarHBondContact O-CG 3.48Å; R823-L827 PolarHBondContact O-N 2.91Å; E824-L827 PolarHBondContact O-N 2.82Å; E824-L827 VanDerWaalsContact O-N 3.16Å; L827-L830 PolarHBondContact O-N 2.95Å; L827-N831 PolarHBondContact O-N 2.93Å; L827-Y832 HydrophobicContact CD2-CD1 3.7Å; L827-Y832 HydrophobicContact CD2-CD2 4.13Å; L827-Y832 HydrophobicContact CD2-CE1 3.95Å; L827-Y832 HydrophobicContact CD2-CE2 4.39Å; L827-Y832 HydrophobicContact CD2-CG 3.78Å; L827-Y832 WeakPolarHBondContact O-CB 3.29Å; L827-Y832 PolarHBondContact O-N 2.93Å; L827-Y832 VanDerWaalsContact O-N 3.09Å; L827-V893 HydrophobicContact CB-CG1 4.03Å; L827-W895 HydrophobicContact CD1-CE3 4.31Å; L827-F898 HydrophobicContact CD1-CB 4.08Å; L827-F898 HydrophobicContact CD1-CD2 4.26Å; L827-F898 HydrophobicContact CD1-CG 4.39Å; L827-F898 HydrophobicContact CD2-CD2 3.71Å; L827-F898 HydrophobicContact CD2-CE2 4Å; L827-L952 HydrophobicContact CD2-CD1 4.44Å; L827-L952 HydrophobicContact CD2-CD2 3.66Å; L827-L952 HydrophobicContact CG-CD2 4.31Å |
| 828 | L | 79 | Confident | 76.4 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.5 | -68.2 | 172.5 | 0 | 0 | 0 | 111.8 | E824 E825 L830 N831 V893 | E824-L828 WeakPolarHBondContact O-CG 3.49Å; E824-L828 PolarHBondContact O-N 3.42Å; E825-L828 PolarHBondContact O-N 3.07Å; L828-L830 PolarHBondContact O-N 3.23Å; L828-N831 PolarHBondContact O-N 3.32Å; L828-N831 VanDerWaalsContact O-N 3.11Å; L828-V893 HydrophobicContact CD2-CB 4.05Å; L828-V893 HydrophobicContact CD2-CG1 4.21Å |
| 829 | R | 75 | Confident | 77.8 | Confident | 150 Ų | 150 | 63.2 Ų | 63.2 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.5 | -32 | 177.5 | -172.2 | -173.5 | 71.7 | -173.2 | -5.4 | 112.7 | E825 T826 N831 | E825-R829 WeakPolarHBondContact O-CB 3.42Å; E825-R829 PolarHBondContact O-N 2.9Å; T826-R829 PolarHBondContact O-N 2.96Å; R829-N831 VanDerWaalsContact C-N 3.3Å |
| 830 | L | 79 | Confident | 79.5 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 11.5 | 179.3 | -67.5 | 175.2 | 0 | 0 | 0 | 113 | T826 L827 L828 Y832 L952 | T826-L830 HydrophobicContact CG2-CD1 4.07Å; T826-L830 WeakPolarHBondContact O-CB 3.46Å; T826-L830 WeakPolarHBondContact O-CG 3.49Å; T826-L830 PolarHBondContact O-N 2.99Å; T826-L830 VanDerWaalsContact O-N 3.08Å; L827-L830 PolarHBondContact O-N 2.95Å; L828-L830 PolarHBondContact O-N 3.23Å; L830-Y832 VanDerWaalsContact C-N 3.28Å; L830-Y832 HydrophobicContact CB-CD2 3.65Å; L830-Y832 HydrophobicContact CB-CE2 3.7Å; L830-Y832 HydrophobicContact CD1-CE2 4.06Å; L830-Y832 PolarHBondContact O-N 3.21Å; L830-L952 HydrophobicContact CD1-CD2 4.1Å |
| 831 | N | 81.9 | Confident | 81.1 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 75% | 0.749 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 41.9 | -179 | -65.8 | -16.9 | 0 | 0 | 0 | 113.3 | L827 L828 R829 | L827-N831 PolarHBondContact O-N 2.93Å; L828-N831 PolarHBondContact O-N 3.32Å; L828-N831 VanDerWaalsContact O-N 3.11Å; R829-N831 VanDerWaalsContact C-N 3.3Å |
| 832 | Y | 85.6 | Confident | 82.9 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | trans | -67.2 | 138.8 | 171.2 | -85.7 | -114.9 | 0 | 0 | 0 | 110.3 | L827 L830 R836 I837 V840 V893 F898 L952 | L827-Y832 HydrophobicContact CD2-CD1 3.7Å; L827-Y832 HydrophobicContact CD2-CD2 4.13Å; L827-Y832 HydrophobicContact CD2-CE1 3.95Å; L827-Y832 HydrophobicContact CD2-CE2 4.39Å; L827-Y832 HydrophobicContact CD2-CG 3.78Å; L827-Y832 WeakPolarHBondContact O-CB 3.29Å; L827-Y832 PolarHBondContact O-N 2.93Å; L827-Y832 VanDerWaalsContact O-N 3.09Å; L830-Y832 VanDerWaalsContact C-N 3.28Å; L830-Y832 HydrophobicContact CB-CD2 3.65Å; L830-Y832 HydrophobicContact CB-CE2 3.7Å; L830-Y832 HydrophobicContact CD1-CE2 4.06Å; L830-Y832 PolarHBondContact O-N 3.21Å; Y832-R836 HydrophobicContact CD1-CG 4.32Å; Y832-I837 HydrophobicContact CD1-CG1 3.74Å; Y832-V840 HydrophobicContact CE1-CG2 3.82Å; Y832-V893 WeakPolarHBondContact O-CG1 3.46Å; Y832-V893 VanDerWaalsContact O-CG2 3.26Å; Y832-V893 WeakPolarHBondContact O-CG2 3.29Å; Y832-F898 HydrophobicContact CE1-CE2 4.06Å; Y832-L952 HydrophobicContact CE2-CD2 4.4Å | ||
| 833 | T | 88.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | trans | -115.1 | 163.3 | 165 | 59.7 | 0 | 0 | 0 | 0 | 108.6 | S835 R836 I837 | T833-S835 PolarHBondContact O-N 3.15Å; T833-S835 PolarHBondContact OG1-OG 3Å; T833-R836 CarbonylContact O-C 3.14Å; T833-R836 WeakPolarHBondContact O-CA 3.27Å; T833-R836 WeakPolarHBondContact O-CB 3.47Å; T833-R836 PolarHBondContact O-N 3.37Å; T833-R836 VanDerWaalsContact OG1-CB 3.32Å; T833-R836 WeakPolarHBondContact OG1-CB 3.22Å; T833-R836 PolarHBondContact OG1-N 3.46Å; T833-I837 WeakPolarHBondContact O-CG1 3.46Å; T833-I837 PolarHBondContact O-N 3.21Å | ||
| 834 | S | 87.3 | Confident | 85 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -37 | 174.6 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | I837 A838 S890 N897 | S834-I837 PolarHBondContact O-N 3.07Å; S834-A838 PolarHBondContact O-N 3.33Å; S834-A838 VanDerWaalsContact O-N 3.07Å; S834-S890 WeakPolarHBondContact CB-O 3.42Å; S834-S890 PolarHBondContact OG-O 3.23Å; S834-N897 PolarHBondContact OG-ND2 3.42Å |
| 835 | S | 89.8 | Confident | 86.1 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 171.8 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | T833 I837 A838 E839 | T833-S835 PolarHBondContact O-N 3.15Å; T833-S835 PolarHBondContact OG1-OG 3Å; S835-I837 PolarHBondContact O-N 3.32Å; S835-A838 WeakPolarHBondContact O-CB 3.48Å; S835-A838 PolarHBondContact O-N 3.1Å; S835-E839 PolarHBondContact O-N 3.45Å |
| 836 | R | 89.4 | Confident | 87.1 | Confident | 109 Ų | 109 | 46.6 Ų | 46.6 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.5 | -35 | 176.5 | -174.9 | 57 | 172.7 | -170.2 | -6.9 | 112.6 | Y832 T833 A838 E839 V840 | Y832-R836 HydrophobicContact CD1-CG 4.32Å; T833-R836 CarbonylContact O-C 3.14Å; T833-R836 WeakPolarHBondContact O-CA 3.27Å; T833-R836 WeakPolarHBondContact O-CB 3.47Å; T833-R836 PolarHBondContact O-N 3.37Å; T833-R836 VanDerWaalsContact OG1-CB 3.32Å; T833-R836 WeakPolarHBondContact OG1-CB 3.22Å; T833-R836 PolarHBondContact OG1-N 3.46Å; R836-A838 VanDerWaalsContact C-N 3.32Å; R836-E839 VanDerWaalsContact CD-OE2 3.25Å; R836-E839 WeakPolarHBondContact CD-OE2 3.32Å; R836-E839 IonicContact CZ-OE2 3.79Å; R836-E839 IonicContact NE-OE2 2.94Å; R836-E839 IonicContact NH1-OE2 2.76Å; R836-E839 PolarHBondContact NH1-OE2 3.49Å; R836-E839 PolarHBondContact O-N 3.21Å; R836-V840 WeakPolarHBondContact O-CG2 3.44Å; R836-V840 PolarHBondContact O-N 2.83Å |
| 837 | I | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 172 | -64.9 | 172.1 | 0 | 0 | 0 | 109.5 | Y832 T833 S834 S835 E839 V840 A841 F898 I901 | Y832-I837 HydrophobicContact CD1-CG1 3.74Å; T833-I837 WeakPolarHBondContact O-CG1 3.46Å; T833-I837 PolarHBondContact O-N 3.21Å; S834-I837 PolarHBondContact O-N 3.07Å; S835-I837 PolarHBondContact O-N 3.32Å; I837-E839 PolarHBondContact O-N 3.42Å; I837-V840 WeakPolarHBondContact O-CB 3.45Å; I837-V840 PolarHBondContact O-N 2.95Å; I837-V840 VanDerWaalsContact O-N 3.17Å; I837-A841 PolarHBondContact O-N 3.32Å; I837-F898 HydrophobicContact CB-CD2 4.44Å; I837-F898 HydrophobicContact CD1-CB 4.46Å; I837-F898 HydrophobicContact CD1-CD2 4.3Å; I837-F898 HydrophobicContact CG1-CD2 3.99Å; I837-F898 HydrophobicContact CG2-CB 4.49Å; I837-F898 HydrophobicContact CG2-CD2 3.75Å; I837-F898 HydrophobicContact CG2-CE2 4.28Å; I837-F898 HydrophobicContact CG2-CG 4.27Å; I837-I901 HydrophobicContact CB-CD1 3.96Å; I837-I901 HydrophobicContact CD1-CD1 4.34Å; I837-I901 HydrophobicContact CG2-CB 3.79Å; I837-I901 HydrophobicContact CG2-CD1 3.79Å; I837-I901 HydrophobicContact CG2-CG1 4.36Å; I837-I901 HydrophobicContact CG2-CG2 3.83Å |
| 838 | A | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S834 S835 R836 V840 A841 D842 W858 F863 I901 M905 | S834-A838 PolarHBondContact O-N 3.33Å; S834-A838 VanDerWaalsContact O-N 3.07Å; S835-A838 WeakPolarHBondContact O-CB 3.48Å; S835-A838 PolarHBondContact O-N 3.1Å; R836-A838 VanDerWaalsContact C-N 3.32Å; A838-V840 VanDerWaalsContact C-N 3.32Å; A838-V840 PolarHBondContact O-N 3.27Å; A838-A841 WeakPolarHBondContact O-CB 3.44Å; A838-A841 PolarHBondContact O-N 3.46Å; A838-D842 PolarHBondContact O-N 2.86Å; A838-W858 HydrophobicContact CB-CH2 4.1Å; A838-W858 HydrophobicContact CB-CZ3 4.05Å; A838-F863 HydrophobicContact CB-CD1 4.22Å; A838-F863 HydrophobicContact CB-CE1 3.41Å; A838-F863 VanDerWaalsContact CB-CE1 3.41Å; A838-F863 HydrophobicContact CB-CZ 3.65Å; A838-I901 HydrophobicContact CB-CG2 4.02Å; A838-M905 HydrophobicContact CB-CE 3.69Å |
| 839 | E | 91.7 | Very high | 89.1 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -36 | 174.8 | -68.6 | 175.5 | -168.6 | 0 | 0 | 113 | S835 R836 I837 R843 W858 | S835-E839 PolarHBondContact O-N 3.45Å; R836-E839 VanDerWaalsContact CD-OE2 3.25Å; R836-E839 WeakPolarHBondContact CD-OE2 3.32Å; R836-E839 IonicContact CZ-OE2 3.79Å; R836-E839 IonicContact NE-OE2 2.94Å; R836-E839 IonicContact NH1-OE2 2.76Å; R836-E839 PolarHBondContact NH1-OE2 3.49Å; R836-E839 PolarHBondContact O-N 3.21Å; I837-E839 PolarHBondContact O-N 3.42Å; E839-R843 WeakPolarHBondContact O-CG 3.26Å; E839-R843 PolarHBondContact O-N 2.9Å; E839-R843 IonicContact OE2-NH1 3.84Å; E839-W858 HydrophobicContact CB-CH2 4.32Å; E839-W858 HydrophobicContact CG-CH2 3.81Å; E839-W858 HydrophobicContact CG-CZ2 4.49Å; E839-W858 HydrophobicContact CG-CZ3 4.08Å |
| 840 | V | 89.9 | Confident | 89.9 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | Y832 R836 I837 A838 R843 F844 F898 | Y832-V840 HydrophobicContact CE1-CG2 3.82Å; R836-V840 WeakPolarHBondContact O-CG2 3.44Å; R836-V840 PolarHBondContact O-N 2.83Å; I837-V840 WeakPolarHBondContact O-CB 3.45Å; I837-V840 PolarHBondContact O-N 2.95Å; I837-V840 VanDerWaalsContact O-N 3.17Å; A838-V840 VanDerWaalsContact C-N 3.32Å; A838-V840 PolarHBondContact O-N 3.27Å; V840-R843 PolarHBondContact O-N 3.41Å; V840-F844 PolarHBondContact O-N 3.44Å; V840-F898 HydrophobicContact CG1-CZ 4.42Å |
| 841 | A | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I837 A838 R843 F844 F845 M905 | I837-A841 PolarHBondContact O-N 3.32Å; A838-A841 WeakPolarHBondContact O-CB 3.44Å; A838-A841 PolarHBondContact O-N 3.46Å; A841-R843 PolarHBondContact O-N 3.2Å; A841-F844 WeakPolarHBondContact O-CA 3.47Å; A841-F844 VanDerWaalsContact O-CB 3.29Å; A841-F844 WeakPolarHBondContact O-CB 3.49Å; A841-F844 PolarHBondContact O-N 3.4Å; A841-F844 VanDerWaalsContact O-N 3.07Å; A841-F845 WeakPolarHBondContact O-CD2 3.44Å; A841-F845 PolarHBondContact O-N 3.3Å; A841-M905 HydrophobicContact CB-CB 4.23Å; A841-M905 HydrophobicContact CB-CG 3.77Å |
| 842 | D | 94.5 | Very high | 91.1 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.08 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 175.4 | 179.5 | 33.5 | 0 | 0 | 0 | 111.5 | A838 F844 F845 Q846 M853 W858 | A838-D842 PolarHBondContact O-N 2.86Å; D842-F844 PolarHBondContact O-N 2.89Å; D842-F845 PolarHBondContact O-N 3.04Å; D842-F845 VanDerWaalsContact O-N 3.17Å; D842-Q846 WeakPolarHBondContact O-CG 3.46Å; D842-Q846 PolarHBondContact O-N 2.82Å; D842-Q846 PolarHBondContact OD1-NE2 2.71Å; D842-Q846 PolarHBondContact OD2-NE2 2.96Å; D842-M853 HydrophobicContact CB-CG 4.14Å; D842-M853 PolarHBondContact OD1-N 2.66Å; D842-M853 VanDerWaalsContact OD1-N 3.13Å; D842-W858 HydrophobicContact CB-CZ2 4.09Å |
| 843 | R | 91.3 | Very high | 91.5 | Very high | 99 Ų | 99 | 35 Ų | 35 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.7 | -33 | 173.2 | -73.9 | -172 | -66.9 | -88 | -0.3 | 113.1 | E839 V840 A841 S847 | E839-R843 WeakPolarHBondContact O-CG 3.26Å; E839-R843 PolarHBondContact O-N 2.9Å; E839-R843 IonicContact OE2-NH1 3.84Å; V840-R843 PolarHBondContact O-N 3.41Å; A841-R843 PolarHBondContact O-N 3.2Å; R843-S847 WeakPolarHBondContact O-CB 3.25Å; R843-S847 PolarHBondContact O-N 3.15Å |
| 844 | F | 91.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -48.7 | 174.8 | 163.7 | -96.4 | 0 | 0 | 0 | 111.4 | V840 A841 D842 Q846 S847 L848 V937 V940 V941 R1070 | V840-F844 PolarHBondContact O-N 3.44Å; A841-F844 WeakPolarHBondContact O-CA 3.47Å; A841-F844 VanDerWaalsContact O-CB 3.29Å; A841-F844 WeakPolarHBondContact O-CB 3.49Å; A841-F844 PolarHBondContact O-N 3.4Å; A841-F844 VanDerWaalsContact O-N 3.07Å; D842-F844 PolarHBondContact O-N 2.89Å; F844-Q846 PolarHBondContact O-N 3.41Å; F844-S847 WeakPolarHBondContact O-CB 3.43Å; F844-S847 PolarHBondContact O-N 3.21Å; F844-S847 VanDerWaalsContact O-N 3.12Å; F844-S847 PolarHBondContact O-OG 3.43Å; F844-L848 HydrophobicContact CE1-CD1 3.96Å; F844-L848 HydrophobicContact CE2-CD1 4.44Å; F844-L848 HydrophobicContact CZ-CD1 3.8Å; F844-L848 HydrophobicContact CZ-CG 4.49Å; F844-L848 PolarHBondContact O-N 2.92Å; F844-V937 HydrophobicContact CE1-CG1 3.83Å; F844-V937 HydrophobicContact CZ-CG1 4.47Å; F844-V940 HydrophobicContact CE2-CG1 3.65Å; F844-V940 HydrophobicContact CZ-CB 4.19Å; F844-V940 HydrophobicContact CZ-CG1 3.73Å; F844-V941 HydrophobicContact CD1-CG2 4.41Å; F844-V941 HydrophobicContact CD2-CG2 4.39Å; F844-V941 HydrophobicContact CE1-CG2 4.2Å; F844-V941 HydrophobicContact CE2-CG2 4.18Å; F844-V941 HydrophobicContact CG-CG2 4.49Å; F844-V941 HydrophobicContact CZ-CG2 4.07Å; F844-R1070 HydrophobicContact CD2-CG 4.39Å |
| 845 | F | 93.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 177.1 | -76 | -73.8 | 0 | 0 | 0 | 112.3 | A841 D842 S847 L848 G849 M850 M905 A906 Q909 V937 | A841-F845 WeakPolarHBondContact O-CD2 3.44Å; A841-F845 PolarHBondContact O-N 3.3Å; D842-F845 PolarHBondContact O-N 3.04Å; D842-F845 VanDerWaalsContact O-N 3.17Å; F845-S847 PolarHBondContact O-N 2.72Å; F845-L848 WeakPolarHBondContact O-CA 3.49Å; F845-L848 WeakPolarHBondContact O-CB 3.34Å; F845-L848 PolarHBondContact O-N 2.73Å; F845-G849 PolarHBondContact O-N 2.94Å; F845-M850 HydrophobicContact CB-CB 4.05Å; F845-M850 HydrophobicContact CB-CG 4.42Å; F845-M850 HydrophobicContact CD1-CG 4.34Å; F845-M850 WeakPolarHBondContact O-CB 3.3Å; F845-M850 PolarHBondContact O-N 2.83Å; F845-M850 VanDerWaalsContact O-N 3.13Å; F845-M905 HydrophobicContact CD2-CB 4.05Å; F845-M905 HydrophobicContact CE2-CB 3.48Å; F845-M905 VanDerWaalsContact CE2-CB 3.48Å; F845-M905 HydrophobicContact CZ-CB 4.37Å; F845-A906 HydrophobicContact CE1-CB 4.29Å; F845-A906 VanDerWaalsContact CZ-CA 3.49Å; F845-A906 HydrophobicContact CZ-CB 3.73Å; F845-Q909 HydrophobicContact CB-CG 4.47Å; F845-Q909 HydrophobicContact CD1-CG 3.83Å; F845-Q909 HydrophobicContact CD2-CG 4.4Å; F845-Q909 HydrophobicContact CE1-CG 4.14Å; F845-Q909 HydrophobicContact CG-CG 3.97Å; F845-V937 HydrophobicContact CE1-CG2 3.97Å; F845-V937 HydrophobicContact CZ-CG1 3.96Å; F845-V937 HydrophobicContact CZ-CG2 3.93Å |
| 846 | Q | 93.5 | Very high | 91.7 | Very high | 78 Ų | 78 | 40.8 Ų | 40.8 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -35.4 | 172.8 | -70.3 | 175.6 | 50.8 | 0 | 0 | 112.3 | D842 F844 L848 G849 P852 | D842-Q846 WeakPolarHBondContact O-CG 3.46Å; D842-Q846 PolarHBondContact O-N 2.82Å; D842-Q846 PolarHBondContact OD1-NE2 2.71Å; D842-Q846 PolarHBondContact OD2-NE2 2.96Å; F844-Q846 PolarHBondContact O-N 3.41Å; Q846-L848 PolarHBondContact O-N 3.1Å; Q846-G849 PolarHBondContact O-N 3.04Å; Q846-P852 HydrophobicContact CG-CB 4.13Å |
| 847 | S | 90.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -29.1 | 174.7 | 84.9 | 0 | 0 | 0 | 0 | 112.8 | R843 F844 F845 G849 G1071 | R843-S847 WeakPolarHBondContact O-CB 3.25Å; R843-S847 PolarHBondContact O-N 3.15Å; F844-S847 WeakPolarHBondContact O-CB 3.43Å; F844-S847 PolarHBondContact O-N 3.21Å; F844-S847 VanDerWaalsContact O-N 3.12Å; F844-S847 PolarHBondContact O-OG 3.43Å; F845-S847 PolarHBondContact O-N 2.72Å; S847-G849 PolarHBondContact O-N 2.85Å; S847-G1071 CarbonylContact O-C 3.57Å; S847-G1071 VanDerWaalsContact O-C 3.27Å; S847-G1071 WeakPolarHBondContact O-CA 3.38Å; S847-G1071 PolarHBondContact OG-N 3.47Å |
| 848 | L | 91.7 | Very high | 92 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.4 | 172.8 | -59 | 178.4 | 0 | 0 | 0 | 112.7 | F844 F845 Q846 M850 L1069 K1073 G1076 | F844-L848 HydrophobicContact CE1-CD1 3.96Å; F844-L848 HydrophobicContact CE2-CD1 4.44Å; F844-L848 HydrophobicContact CZ-CD1 3.8Å; F844-L848 HydrophobicContact CZ-CG 4.49Å; F844-L848 PolarHBondContact O-N 2.92Å; F845-L848 WeakPolarHBondContact O-CA 3.49Å; F845-L848 WeakPolarHBondContact O-CB 3.34Å; F845-L848 PolarHBondContact O-N 2.73Å; Q846-L848 PolarHBondContact O-N 3.1Å; L848-M850 HydrophobicContact CB-CG 4.49Å; L848-L1069 WeakPolarHBondContact CD2-O 3.28Å; L848-K1073 WeakPolarHBondContact O-CA 3.37Å; L848-G1076 VanDerWaalsContact O-CA 3.26Å; L848-G1076 WeakPolarHBondContact O-CA 3.36Å |
| 849 | G | 90.8 | Very high | 91.9 | Very high | 48 Ų | 48 | 48 Ų | 48 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 13.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F845 Q846 S847 | F845-G849 PolarHBondContact O-N 2.94Å; Q846-G849 PolarHBondContact O-N 3.04Å; S847-G849 PolarHBondContact O-N 2.85Å |
| 850 | M | 92.8 | Very high | 91.9 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.054 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 155 | 173.1 | -61.5 | -59.4 | -164.2 | 0 | 0 | 111.4 | F845 L848 H913 G1076 L1079 A1080 L1083 | F845-M850 HydrophobicContact CB-CB 4.05Å; F845-M850 HydrophobicContact CB-CG 4.42Å; F845-M850 HydrophobicContact CD1-CG 4.34Å; F845-M850 WeakPolarHBondContact O-CB 3.3Å; F845-M850 PolarHBondContact O-N 2.83Å; F845-M850 VanDerWaalsContact O-N 3.13Å; L848-M850 HydrophobicContact CB-CG 4.49Å; M850-H913 VanDerWaalsContact SD-CE1 3.51Å; M850-G1076 WeakPolarHBondContact CE-O 3.12Å; M850-L1079 HydrophobicContact CE-CB 3.53Å; M850-L1079 HydrophobicContact CE-CD1 4.31Å; M850-A1080 HydrophobicContact CE-CB 4.25Å; M850-A1080 HydrophobicContact SD-CB 4.11Å; M850-L1083 HydrophobicContact CE-CD1 4.15Å |
| 851 | P | 91.7 | Very high | 92 | Very high | 53 Ų | 53 | 47.6 Ų | 47.6 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -63.6 | 147.2 | 176.6 | 27 | -35.3 | 0 | 0 | 0 | 112 | Q909 M912 | P851-Q909 PolarHBondContact O-NE2 3.04Å; P851-Q909 VanDerWaalsContact O-NE2 3.12Å; P851-M912 HydrophobicContact CB-CE 3.98Å; P851-M912 HydrophobicContact CG-CE 3.75Å |
| 852 | P | 93.5 | Very high | 91.8 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 155.7 | 173 | 30.7 | -35.7 | 0 | 0 | 0 | 111.3 | Q846 M912 | Q846-P852 HydrophobicContact CG-CB 4.13Å; P852-M912 WeakPolarHBondContact O-CE 3.34Å |
| 853 | M | 93.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.069 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 148.4 | 171.8 | -65.8 | -59.1 | 98.8 | 0 | 0 | 112.2 | D842 F857 W858 M905 I908 Q909 M912 | D842-M853 HydrophobicContact CB-CG 4.14Å; D842-M853 PolarHBondContact OD1-N 2.66Å; D842-M853 VanDerWaalsContact OD1-N 3.13Å; M853-F857 HydrophobicContact CB-CD1 3.69Å; M853-F857 HydrophobicContact CB-CE1 4.25Å; M853-F857 HydrophobicContact CB-CG 4.25Å; M853-F857 HydrophobicContact CG-CD1 3.92Å; M853-F857 HydrophobicContact CG-CE1 4.02Å; M853-F857 HydrophobicContact SD-CD1 4.45Å; M853-W858 HydrophobicContact CB-CZ2 4.19Å; M853-W858 HydrophobicContact CG-CZ2 4.36Å; M853-M905 HydrophobicContact CG-CE 4.2Å; M853-M905 HydrophobicContact CG-SD 4.11Å; M853-M905 HydrophobicContact SD-SD 3.8Å; M853-I908 HydrophobicContact CE-CG2 4.39Å; M853-I908 HydrophobicContact SD-CG2 3.76Å; M853-Q909 HydrophobicContact CE-CG 4.39Å; M853-M912 HydrophobicContact CE-CE 4.23Å; M853-M912 HydrophobicContact CE-SD 3.35Å; M853-M912 WeakPolarHBondContact CE-SD 3.34Å; M853-M912 HydrophobicContact SD-SD 4.16Å |
| 854 | T | 90.7 | Very high | 90.9 | Very high | 24 Ų | 24 | 48 Ų | 48 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 158.2 | -177.8 | 58.2 | 0 | 0 | 0 | 0 | 112 | S856 F857 W858 D883 | T854-S856 VanDerWaalsContact C-N 3.29Å; T854-S856 WeakPolarHBondContact CB-OG 3.42Å; T854-S856 PolarHBondContact O-N 3.27Å; T854-S856 PolarHBondContact OG1-OG 3.05Å; T854-F857 WeakPolarHBondContact O-CB 3.47Å; T854-F857 PolarHBondContact O-N 3.11Å; T854-F857 WeakPolarHBondContact OG1-CB 3.49Å; T854-F857 PolarHBondContact OG1-N 3.38Å; T854-W858 VanDerWaalsContact O-CD1 3.26Å; T854-D883 HydrophobicContact CG2-CB 3.91Å; T854-D883 PolarHBondContact OG1-O 2.85Å |
| 855 | E | 89.1 | Confident | 90 | Very high | 175 Ų | 175 | 48.5 Ų | 48.5 | 82% | 0.818 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.4 | -37.1 | 177 | -168.8 | -178.4 | 173.7 | 0 | 0 | 112 | F857 W858 K859 | E855-F857 VanDerWaalsContact C-N 3.33Å; E855-F857 PolarHBondContact O-N 3.33Å; E855-W858 PolarHBondContact O-N 2.95Å; E855-K859 PolarHBondContact O-N 3.19Å; E855-K859 VanDerWaalsContact O-N 3.11Å |
| 856 | S | 90.5 | Very high | 88.5 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 173.2 | 43.9 | 0 | 0 | 0 | 0 | 112.7 | T854 W858 K859 N860 D883 | T854-S856 VanDerWaalsContact C-N 3.29Å; T854-S856 WeakPolarHBondContact CB-OG 3.42Å; T854-S856 PolarHBondContact O-N 3.27Å; T854-S856 PolarHBondContact OG1-OG 3.05Å; S856-W858 PolarHBondContact O-N 3.42Å; S856-K859 PolarHBondContact O-N 2.99Å; S856-N860 VanDerWaalsContact O-CB 3.28Å; S856-N860 WeakPolarHBondContact O-CB 3.27Å; S856-N860 PolarHBondContact O-N 3.37Å; S856-N860 PolarHBondContact O-ND2 3.49Å; S856-D883 PolarHBondContact OG-O 2.83Å |
| 857 | F | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 177.4 | 165.9 | -94 | 0 | 0 | 0 | 111.5 | M853 T854 E855 K859 N860 S861 F863 Y885 M887 M905 I908 | M853-F857 HydrophobicContact CB-CD1 3.69Å; M853-F857 HydrophobicContact CB-CE1 4.25Å; M853-F857 HydrophobicContact CB-CG 4.25Å; M853-F857 HydrophobicContact CG-CD1 3.92Å; M853-F857 HydrophobicContact CG-CE1 4.02Å; M853-F857 HydrophobicContact SD-CD1 4.45Å; T854-F857 WeakPolarHBondContact O-CB 3.47Å; T854-F857 PolarHBondContact O-N 3.11Å; T854-F857 WeakPolarHBondContact OG1-CB 3.49Å; T854-F857 PolarHBondContact OG1-N 3.38Å; E855-F857 VanDerWaalsContact C-N 3.33Å; E855-F857 PolarHBondContact O-N 3.33Å; F857-K859 VanDerWaalsContact C-N 3.33Å; F857-K859 PolarHBondContact O-N 2.82Å; F857-N860 PolarHBondContact O-N 3.4Å; F857-S861 WeakPolarHBondContact CD2-OG 3.39Å; F857-S861 VanDerWaalsContact CE2-OG 3.27Å; F857-S861 WeakPolarHBondContact CE2-OG 3.31Å; F857-S861 VanDerWaalsContact O-CB 3.23Å; F857-S861 WeakPolarHBondContact O-CB 3.31Å; F857-S861 PolarHBondContact O-N 2.75Å; F857-S861 PolarHBondContact O-OG 2.86Å; F857-F863 HydrophobicContact CE1-CZ 4.19Å; F857-F863 AromaticContact CZ-CZ 3.91Å; F857-F863 HydrophobicContact CZ-CZ 3.91Å; F857-Y885 WeakPolarHBondContact CA-O 3.19Å; F857-Y885 WeakPolarHBondContact CD2-O 3.31Å; F857-M887 HydrophobicContact CE2-CB 3.93Å; F857-M887 HydrophobicContact CE2-CE 4.48Å; F857-M887 HydrophobicContact CZ-CB 4.33Å; F857-M887 HydrophobicContact CZ-CE 4.35Å; F857-M905 HydrophobicContact CE1-CE 3.64Å; F857-M905 HydrophobicContact CE2-CE 4.5Å; F857-M905 HydrophobicContact CZ-CE 3.43Å; F857-M905 VanDerWaalsContact CZ-CE 3.43Å; F857-M905 HydrophobicContact CZ-SD 4.12Å; F857-I908 HydrophobicContact CD2-CD1 4.11Å; F857-I908 HydrophobicContact CE2-CD1 3.46Å; F857-I908 VanDerWaalsContact CE2-CD1 3.46Å; F857-I908 HydrophobicContact CZ-CD1 4.23Å |
| 858 | W | 93.4 | Very high | 85.5 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.3 | -34.5 | 179.6 | -66.2 | 112.4 | 0 | 0 | 0 | 112.5 | A838 E839 D842 M853 T854 E855 S856 F863 M905 | A838-W858 HydrophobicContact CB-CH2 4.1Å; A838-W858 HydrophobicContact CB-CZ3 4.05Å; E839-W858 HydrophobicContact CB-CH2 4.32Å; E839-W858 HydrophobicContact CG-CH2 3.81Å; E839-W858 HydrophobicContact CG-CZ2 4.49Å; E839-W858 HydrophobicContact CG-CZ3 4.08Å; D842-W858 HydrophobicContact CB-CZ2 4.09Å; M853-W858 HydrophobicContact CB-CZ2 4.19Å; M853-W858 HydrophobicContact CG-CZ2 4.36Å; T854-W858 VanDerWaalsContact O-CD1 3.26Å; E855-W858 PolarHBondContact O-N 2.95Å; S856-W858 PolarHBondContact O-N 3.42Å; W858-F863 HydrophobicContact CE3-CE2 4.27Å; W858-F863 HydrophobicContact CZ3-CE2 4.22Å; W858-F863 HydrophobicContact CZ3-CZ 4.21Å; W858-M905 HydrophobicContact CH2-CE 4.4Å |
| 859 | K | 89.7 | Confident | 84.4 | Confident | 176 Ų | 176 | 59 Ų | 59 | 77% | 0.765 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -72.2 | -36.2 | 178.2 | -174.5 | 179.8 | 178.1 | -179 | 0 | 113.3 | E855 S856 F857 | E855-K859 PolarHBondContact O-N 3.19Å; E855-K859 VanDerWaalsContact O-N 3.11Å; S856-K859 PolarHBondContact O-N 2.99Å; F857-K859 VanDerWaalsContact C-N 3.33Å; F857-K859 PolarHBondContact O-N 2.82Å |
| 860 | N | 90.8 | Very high | 83.2 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -102.5 | -18.2 | -168.6 | -66 | -19.4 | 0 | 0 | 0 | 114.5 | W590 S856 F857 D884 R886 | W590-N860 WeakPolarHBondContact CZ2-O 3.47Å; S856-N860 VanDerWaalsContact O-CB 3.28Å; S856-N860 WeakPolarHBondContact O-CB 3.27Å; S856-N860 PolarHBondContact O-N 3.37Å; S856-N860 PolarHBondContact O-ND2 3.49Å; F857-N860 PolarHBondContact O-N 3.4Å; N860-D884 PolarHBondContact ND2-OD1 2.02Å; N860-R886 HydrophobicContact CB-CG 3.98Å |
| 861 | S | 92.7 | Very high | 82 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 12% | 0.119 | 33% | 0.33 | C | S | . | . | trans | -75.5 | 153.5 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | F857 M887 | F857-S861 WeakPolarHBondContact CD2-OG 3.39Å; F857-S861 VanDerWaalsContact CE2-OG 3.27Å; F857-S861 WeakPolarHBondContact CE2-OG 3.31Å; F857-S861 VanDerWaalsContact O-CB 3.23Å; F857-S861 WeakPolarHBondContact O-CB 3.31Å; F857-S861 PolarHBondContact O-N 2.75Å; F857-S861 PolarHBondContact O-OG 2.86Å; S861-M887 CarbonylContact C-O 3.52Å; S861-M887 WeakPolarHBondContact CA-O 3.4Å; S861-M887 WeakPolarHBondContact CB-O 3.26Å; S861-M887 PolarHBondContact OG-N 3.15Å | ||
| 862 | D | 88.7 | Confident | 81.2 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -119.7 | 111.6 | 178.4 | -172.7 | 9.4 | 0 | 0 | 0 | 111.4 | W590 K594 S864 P865 M887 L888 A889 | W590-D862 HydrophobicContact CH2-CB 4.44Å; K594-D862 HydrophobicContact CD-CB 4.15Å; K594-D862 WeakPolarHBondContact CD-OD2 3.36Å; K594-D862 VanDerWaalsContact NZ-CG 3.29Å; K594-D862 IonicContact NZ-OD2 2.61Å; K594-D862 PolarHBondContact NZ-OD2 3.01Å; D862-S864 PolarHBondContact OD1-N 2.95Å; D862-P865 WeakPolarHBondContact OD2-CA 3.4Å; D862-M887 PolarHBondContact N-O 3.16Å; D862-L888 HydrophobicContact CB-CD1 3.95Å; D862-L888 WeakPolarHBondContact O-CA 3.5Å; D862-A889 PolarHBondContact O-N 2.83Å |
| 863 | F | 87.4 | Confident | 80.6 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -105.4 | 2.2 | 177.1 | -57.8 | -78.3 | 0 | 0 | 0 | 112.5 | A838 F857 W858 M887 A889 | A838-F863 HydrophobicContact CB-CD1 4.22Å; A838-F863 HydrophobicContact CB-CE1 3.41Å; A838-F863 VanDerWaalsContact CB-CE1 3.41Å; A838-F863 HydrophobicContact CB-CZ 3.65Å; F857-F863 HydrophobicContact CE1-CZ 4.19Å; F857-F863 AromaticContact CZ-CZ 3.91Å; F857-F863 HydrophobicContact CZ-CZ 3.91Å; W858-F863 HydrophobicContact CE3-CE2 4.27Å; W858-F863 HydrophobicContact CZ3-CE2 4.22Å; W858-F863 HydrophobicContact CZ3-CZ 4.21Å; F863-M887 HydrophobicContact CE1-CG 4.47Å; F863-M887 HydrophobicContact CE1-SD 3.84Å; F863-A889 HydrophobicContact CD1-CB 4.17Å |
| 864 | S | 78.8 | Confident | 80.1 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 62% | 0.622 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -145.1 | 63.4 | -179.4 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | D862 | D862-S864 PolarHBondContact OD1-N 2.95Š|
| 865 | P | 71.8 | Confident | 79.9 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.071 | 34% | 0.336 | C | S | . | . | trans | -60.8 | 146.8 | 179.1 | 24.3 | -31.2 | 0 | 0 | 0 | 110.7 | D862 Y867 L869 L888 A889 | D862-P865 WeakPolarHBondContact OD2-CA 3.4Å; P865-Y867 HydrophobicContact CB-CD1 4.2Å; P865-Y867 HydrophobicContact CB-CD2 4.33Å; P865-Y867 HydrophobicContact CB-CE1 3.77Å; P865-Y867 HydrophobicContact CB-CE2 3.94Å; P865-Y867 HydrophobicContact CB-CG 4.44Å; P865-Y867 PolarHBondContact O-N 3.42Å; P865-L869 HydrophobicContact CB-CD1 4.29Å; P865-L869 HydrophobicContact CG-CD1 3.59Å; P865-L869 HydrophobicContact CG-CG 4.19Å; P865-L888 HydrophobicContact CB-CD1 4.13Å; P865-L888 HydrophobicContact CG-CD1 4.36Å; P865-A889 WeakPolarHBondContact CD-O 3.11Å | ||
| 866 | S | 63.2 | Low | 79.9 | Confident | 117 Ų | 117 | 56 Ų | 56 | 82% | 0.818 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -74.4 | -0.8 | -178.7 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 867 | Y | 63.9 | Low | 79.8 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -125.4 | 149.2 | -177 | 47.9 | -87.6 | 0 | 0 | 0 | 109.9 | A593 P865 L869 L888 | A593-Y867 PolarHBondContact O-OH 3.31Å; P865-Y867 HydrophobicContact CB-CD1 4.2Å; P865-Y867 HydrophobicContact CB-CD2 4.33Å; P865-Y867 HydrophobicContact CB-CE1 3.77Å; P865-Y867 HydrophobicContact CB-CE2 3.94Å; P865-Y867 HydrophobicContact CB-CG 4.44Å; P865-Y867 PolarHBondContact O-N 3.42Å; Y867-L869 HydrophobicContact CD2-CD2 4Å; Y867-L869 HydrophobicContact CD2-CG 3.94Å; Y867-L869 HydrophobicContact CE2-CD1 4.01Å; Y867-L869 HydrophobicContact CE2-CD2 3.66Å; Y867-L869 HydrophobicContact CE2-CG 3.69Å; Y867-L869 PolarHBondContact O-N 3.12Å; Y867-L869 VanDerWaalsContact O-N 3.14Å; Y867-L888 WeakPolarHBondContact OH-CD1 3.35Å; Y867-L888 WeakPolarHBondContact OH-CD2 3.24Å |
| 868 | D | 57.6 | Low | 79.6 | Confident | 155 Ų | 155 | 56.3 Ų | 56.3 | 83% | 0.829 | 30% | 0.3 | S | S | * | . | trans | -73.4 | 105.6 | -177.3 | -78.1 | -30.6 | 0 | 0 | 0 | 110.7 | ||||
| 869 | L | 67.2 | Low | 79.4 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | trans | -87.1 | 152.9 | 170.6 | -75.9 | 176.2 | 0 | 0 | 0 | 111.3 | P865 Y867 Y873 L888 | P865-L869 HydrophobicContact CB-CD1 4.29Å; P865-L869 HydrophobicContact CG-CD1 3.59Å; P865-L869 HydrophobicContact CG-CG 4.19Å; Y867-L869 HydrophobicContact CD2-CD2 4Å; Y867-L869 HydrophobicContact CD2-CG 3.94Å; Y867-L869 HydrophobicContact CE2-CD1 4.01Å; Y867-L869 HydrophobicContact CE2-CD2 3.66Å; Y867-L869 HydrophobicContact CE2-CG 3.69Å; Y867-L869 PolarHBondContact O-N 3.12Å; Y867-L869 VanDerWaalsContact O-N 3.14Å; L869-Y873 HydrophobicContact CD1-CD1 3.79Å; L869-Y873 HydrophobicContact CD1-CE1 4.3Å; L869-Y873 HydrophobicContact CD2-CD1 3.83Å; L869-Y873 HydrophobicContact CD2-CE1 4.08Å; L869-Y873 HydrophobicContact CD2-CG 4.2Å; L869-Y873 HydrophobicContact CG-CD1 4.29Å; L869-L888 HydrophobicContact CD1-CD1 4.22Å; L869-L888 HydrophobicContact CD1-CD2 4.29Å; L869-L888 HydrophobicContact CD1-CG 4.05Å | ||
| 870 | P | 66.1 | Low | 79.2 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 29% | 0.292 | 26% | 0.255 | S | S | . | . | trans | -54.3 | 154.1 | 171.2 | -22.8 | 31.4 | 0 | 0 | 0 | 112.5 | S872 Y873 S890 | P870-S872 VanDerWaalsContact C-N 3.26Å; P870-S872 PolarHBondContact O-N 2.65Å; P870-Y873 WeakPolarHBondContact O-CB 3.39Å; P870-Y873 PolarHBondContact O-N 3.13Å; P870-S890 VanDerWaalsContact O-CB 3.25Å; P870-S890 WeakPolarHBondContact O-CB 3.28Å; P870-S890 PolarHBondContact O-OG 2.88Å; P870-S890 VanDerWaalsContact O-OG 3.12Å | ||
| 871 | E | 68.2 | Low | 78.7 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -38.7 | -168.1 | -166.3 | -154.2 | 141.3 | 0 | 0 | 115.1 | Q892 T894 K896 N897 | E871-Q892 VanDerWaalsContact CG-OE1 3.26Å; E871-T894 HydrophobicContact CG-CG2 3.54Å; E871-T894 WeakPolarHBondContact OE1-CB 3.48Å; E871-T894 VanDerWaalsContact OE1-CG2 3.25Å; E871-T894 WeakPolarHBondContact OE1-CG2 3.3Å; E871-T894 PolarHBondContact OE1-OG1 2.86Å; E871-K896 IonicContact OE2-NZ 3.49Å; E871-N897 WeakPolarHBondContact O-CB 3.44Å |
| 872 | S | 73.9 | Confident | 77.7 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 21.7 | -177.6 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | P870 T874 A900 | P870-S872 VanDerWaalsContact C-N 3.26Å; P870-S872 PolarHBondContact O-N 2.65Å; S872-T874 PolarHBondContact O-N 2.8Å; S872-A900 WeakPolarHBondContact O-CB 3.25Å |
| 873 | Y | 80.6 | Confident | 77.4 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 37% | 0.373 | 30% | 0.299 | S | S | . | . | trans | -67.5 | 122 | 179.4 | -175.7 | -85.3 | 0 | 0 | 0 | 110.6 | L869 P870 L888 S890 | L869-Y873 HydrophobicContact CD1-CD1 3.79Å; L869-Y873 HydrophobicContact CD1-CE1 4.3Å; L869-Y873 HydrophobicContact CD2-CD1 3.83Å; L869-Y873 HydrophobicContact CD2-CE1 4.08Å; L869-Y873 HydrophobicContact CD2-CG 4.2Å; L869-Y873 HydrophobicContact CG-CD1 4.29Å; P870-Y873 WeakPolarHBondContact O-CB 3.39Å; P870-Y873 PolarHBondContact O-N 3.13Å; Y873-L888 HydrophobicContact CE1-CD2 4.16Å; Y873-S890 PolarHBondContact O-N 3.06Å | ||
| 874 | T | 84.5 | Confident | 77.5 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.6 | 171.9 | 57.3 | 0 | 0 | 0 | 0 | 110 | S872 L888 A889 A900 I901 | S872-T874 PolarHBondContact O-N 2.8Å; T874-L888 CarbonylContact C-O 3.59Å; T874-L888 WeakPolarHBondContact CA-O 3.15Å; T874-A889 HydrophobicContact CG2-CB 4.25Å; T874-A900 HydrophobicContact CG2-CB 3.67Å; T874-I901 HydrophobicContact CG2-CG1 4.05Å |
| 875 | S | 85.7 | Confident | 78.2 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.4 | 174.9 | -179 | 0 | 0 | 0 | 0 | 109.3 | W877 M887 L888 | S875-W877 PolarHBondContact OG-NE1 3.44Å; S875-M887 CarbonylContact O-C 3.54Å; S875-M887 WeakPolarHBondContact O-CA 3.21Å; S875-L888 PolarHBondContact N-O 3.05Å; S875-L888 PolarHBondContact O-N 3.47Å |
| 876 | V | 89.1 | Confident | 79.2 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.1 | -178.4 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | R886 M887 A904 R907 I908 F911 | V876-R886 WeakPolarHBondContact CA-O 3.32Å; V876-M887 HydrophobicContact CG1-CB 4.2Å; V876-M887 HydrophobicContact CG1-CE 3.93Å; V876-M887 HydrophobicContact CG1-CG 3.99Å; V876-A904 HydrophobicContact CG1-CB 3.64Å; V876-R907 HydrophobicContact CG2-CB 4.03Å; V876-R907 VanDerWaalsContact CG2-CD 3.41Å; V876-R907 HydrophobicContact CG2-CG 3.85Å; V876-I908 HydrophobicContact CB-CG1 4.17Å; V876-I908 HydrophobicContact CG1-CD1 3.97Å; V876-I908 HydrophobicContact CG1-CG1 4.05Å; V876-F911 HydrophobicContact CB-CE2 4.3Å; V876-F911 HydrophobicContact CG2-CE2 4.13Å; V876-F911 HydrophobicContact CG2-CZ 4.18Å |
| 877 | W | 88.8 | Confident | 80.6 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 117.8 | -167.3 | -59.5 | 69.1 | 0 | 0 | 0 | 108.8 | Q586 W589 W590 S875 M879 R886 | Q586-W877 HydrophobicContact CB-CE3 4.26Å; Q586-W877 VanDerWaalsContact OE1-CZ3 3.29Å; W589-W877 HydrophobicContact CB-CE3 4.37Å; W589-W877 HydrophobicContact CB-CH2 3.34Å; W589-W877 HydrophobicContact CB-CZ2 4.48Å; W589-W877 HydrophobicContact CB-CZ3 3.25Å; W589-W877 HydrophobicContact CG-CH2 4.06Å; W589-W877 HydrophobicContact CG-CZ3 4.1Å; W590-W877 AromaticContact CE3-CD1 3.88Å; W590-W877 HydrophobicContact CE3-CD2 4.36Å; W590-W877 HydrophobicContact CE3-CG 4.1Å; W590-W877 AromaticContact CZ3-CD1 3.93Å; S875-W877 PolarHBondContact OG-NE1 3.44Å; W877-M879 HydrophobicContact CB-SD 3.79Å; W877-M879 PolarHBondContact O-N 2.8Å; W877-R886 HydrophobicContact CB-CB 4.35Å; W877-R886 PolarHBondContact N-O 3.42Å; W877-R886 PolarHBondContact O-N 3.16Å; W877-R886 VanDerWaalsContact O-N 3.11Å |
| 878 | D | 88.9 | Confident | 81.8 | Confident | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 104.4 | 160.5 | -176.2 | -3.1 | 0 | 0 | 0 | 106.2 | F880 F911 Y914 | D878-F880 WeakPolarHBondContact O-CD2 3.4Å; D878-F880 VanDerWaalsContact O-CE2 3.3Å; D878-F880 WeakPolarHBondContact O-CE2 3.37Å; D878-F880 PolarHBondContact O-N 3.34Å; D878-F880 WeakPolarHBondContact OD1-CA 3.38Å; D878-F880 PolarHBondContact OD1-N 3.26Å; D878-F911 HydrophobicContact CB-CB 4.37Å; D878-F911 HydrophobicContact CB-CD1 4.21Å; D878-F911 HydrophobicContact CB-CD2 3.67Å; D878-F911 HydrophobicContact CB-CE1 4.32Å; D878-F911 HydrophobicContact CB-CE2 3.85Å; D878-F911 HydrophobicContact CB-CG 3.85Å; D878-F911 HydrophobicContact CB-CZ 4.14Å; D878-F911 VanDerWaalsContact N-CE2 3.33Å; D878-Y914 WeakPolarHBondContact OD2-CE2 3.39Å |
| 879 | M | 89.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | trans | -76.5 | 3.1 | 178.9 | -52.6 | -63.8 | -57.6 | 0 | 0 | 111.1 | Q583 Q586 M587 W877 G881 D884 R886 | Q583-M879 WeakPolarHBondContact CG-O 3.35Å; Q586-M879 HydrophobicContact CB-CE 3.8Å; Q586-M879 HydrophobicContact CB-SD 3.96Å; M587-M879 HydrophobicContact CB-CE 4.36Å; M587-M879 HydrophobicContact CG-CE 3.64Å; M587-M879 HydrophobicContact SD-CE 3.47Å; M587-M879 WeakPolarHBondContact SD-CE 3.18Å; W877-M879 HydrophobicContact CB-SD 3.79Å; W877-M879 PolarHBondContact O-N 2.8Å; M879-G881 PolarHBondContact O-N 3.18Å; M879-D884 HydrophobicContact CB-CB 3.89Å; M879-D884 WeakPolarHBondContact CB-O 3.35Å; M879-D884 HydrophobicContact CG-CB 4.32Å; M879-D884 WeakPolarHBondContact CG-O 3.44Å; M879-D884 PolarHBondContact N-O 2.88Å; M879-R886 HydrophobicContact CG-CG 3.89Å; M879-R886 HydrophobicContact SD-CG 4.19Å | ||
| 880 | F | 85.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 36 Ų | 36 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | trans | 58.2 | 3.5 | -178.7 | -54.2 | -79.2 | 0 | 0 | 0 | 115.6 | T579 M582 Q583 Q586 D878 I919 R922 | T579-F880 HydrophobicContact CG2-CB 4.05Å; M582-F880 HydrophobicContact CB-CD2 3.47Å; M582-F880 VanDerWaalsContact CB-CD2 3.47Å; M582-F880 HydrophobicContact CB-CE2 3.54Å; M582-F880 HydrophobicContact CB-CG 4.18Å; M582-F880 HydrophobicContact CB-CZ 4.28Å; M582-F880 HydrophobicContact CG-CD2 4.49Å; M582-F880 HydrophobicContact CG-CE2 4.19Å; Q583-F880 HydrophobicContact CG-CB 4.21Å; Q583-F880 PolarHBondContact NE2-O 2.85Å; Q586-F880 HydrophobicContact CG-CD2 4.01Å; Q586-F880 HydrophobicContact CG-CE2 3.78Å; D878-F880 WeakPolarHBondContact O-CD2 3.4Å; D878-F880 VanDerWaalsContact O-CE2 3.3Å; D878-F880 WeakPolarHBondContact O-CE2 3.37Å; D878-F880 PolarHBondContact O-N 3.34Å; D878-F880 WeakPolarHBondContact OD1-CA 3.38Å; D878-F880 PolarHBondContact OD1-N 3.26Å; F880-I919 HydrophobicContact CB-CD1 4.48Å; F880-I919 HydrophobicContact CD1-CD1 3.13Å; F880-I919 HydrophobicContact CE1-CD1 3.35Å; F880-I919 HydrophobicContact CG-CD1 3.95Å; F880-I919 HydrophobicContact CZ-CD1 4.32Å; F880-R922 PolarHBondContact O-NH1 2.95Å | ||
| 881 | G | 80.2 | Confident | 84.9 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -73.9 | 151 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111 | M879 D883 D884 | M879-G881 PolarHBondContact O-N 3.18Å; G881-D883 PolarHBondContact O-N 3.35Å; G881-D884 PolarHBondContact O-N 2.92Å |
| 882 | K | 71.3 | Confident | 85.5 | Confident | 184 Ų | 184 | 37.7 Ų | 37.7 | 80% | 0.8 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 103.1 | 168 | -162.6 | 178.8 | -176.8 | -176.3 | 0 | 106.2 | ||
| 883 | D | 83 | Confident | 85.9 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 12.8 | -179.8 | -47.5 | -42.4 | 0 | 0 | 0 | 117.9 | T854 S856 G881 | T854-D883 HydrophobicContact CG2-CB 3.91Å; T854-D883 PolarHBondContact OG1-O 2.85Å; S856-D883 PolarHBondContact OG-O 2.83Å; G881-D883 PolarHBondContact O-N 3.35Å |
| 884 | D | 89.4 | Confident | 86 | Confident | 35 Ų | 35 | 32.8 Ų | 32.8 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | trans | -103.1 | 104.7 | 174.6 | -169 | 12 | 0 | 0 | 0 | 111.6 | N860 M879 G881 R886 | N860-D884 PolarHBondContact ND2-OD1 2.02Å; M879-D884 HydrophobicContact CB-CB 3.89Å; M879-D884 WeakPolarHBondContact CB-O 3.35Å; M879-D884 HydrophobicContact CG-CB 4.32Å; M879-D884 WeakPolarHBondContact CG-O 3.44Å; M879-D884 PolarHBondContact N-O 2.88Å; G881-D884 PolarHBondContact O-N 2.92Å; D884-R886 IonicContact OD1-CZ 3.8Å; D884-R886 IonicContact OD1-NE 3.1Å; D884-R886 PolarHBondContact OD1-NE 2.99Å; D884-R886 VanDerWaalsContact OD1-NE 3.07Å; D884-R886 IonicContact OD1-NH2 2.68Å; D884-R886 IonicContact OD2-CZ 2.68Å; D884-R886 IonicContact OD2-NE 3.85Å; D884-R886 IonicContact OD2-NH2 2.88Å; D884-R886 PolarHBondContact OD2-NH2 2.98Å | ||
| 885 | Y | 93.2 | Very high | 86 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.3 | 178 | -49.5 | -70.2 | 0 | 0 | 0 | 108.7 | F857 I908 F911 M912 A915 | F857-Y885 WeakPolarHBondContact CA-O 3.19Å; F857-Y885 WeakPolarHBondContact CD2-O 3.31Å; Y885-I908 HydrophobicContact CG-CG2 4.29Å; Y885-F911 HydrophobicContact CD1-CB 3.69Å; Y885-F911 HydrophobicContact CD1-CD2 4.09Å; Y885-F911 HydrophobicContact CD1-CG 4.4Å; Y885-F911 HydrophobicContact CE1-CB 3.53Å; Y885-M912 HydrophobicContact CD2-CG 4.04Å; Y885-M912 HydrophobicContact CE2-CG 3.61Å; Y885-A915 WeakPolarHBondContact OH-CB 3.49Å |
| 886 | R | 93.9 | Very high | 85.9 | Confident | 20 Ų | 20 | 36.3 Ų | 36.3 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.4 | -175 | -53.1 | -177.2 | -170.2 | 174.3 | 7.8 | 112.1 | M587 W590 N860 V876 W877 M879 D884 | M587-R886 VanDerWaalsContact SD-CZ 3.6Å; M587-R886 PolarHBondContact SD-NH1 3.38Å; M587-R886 PolarHBondContact SD-NH2 2.75Å; W590-R886 HydrophobicContact CE3-CB 4.04Å; W590-R886 HydrophobicContact CH2-CB 3.93Å; W590-R886 HydrophobicContact CZ2-CB 4.41Å; W590-R886 HydrophobicContact CZ3-CB 3.72Å; N860-R886 HydrophobicContact CB-CG 3.98Å; V876-R886 WeakPolarHBondContact CA-O 3.32Å; W877-R886 HydrophobicContact CB-CB 4.35Å; W877-R886 PolarHBondContact N-O 3.42Å; W877-R886 PolarHBondContact O-N 3.16Å; W877-R886 VanDerWaalsContact O-N 3.11Å; M879-R886 HydrophobicContact CG-CG 3.89Å; M879-R886 HydrophobicContact SD-CG 4.19Å; D884-R886 IonicContact OD1-CZ 3.8Å; D884-R886 IonicContact OD1-NE 3.1Å; D884-R886 PolarHBondContact OD1-NE 2.99Å; D884-R886 VanDerWaalsContact OD1-NE 3.07Å; D884-R886 IonicContact OD1-NH2 2.68Å; D884-R886 IonicContact OD2-CZ 2.68Å; D884-R886 IonicContact OD2-NE 3.85Å; D884-R886 IonicContact OD2-NH2 2.88Å; D884-R886 PolarHBondContact OD2-NH2 2.98Å |
| 887 | M | 92.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.8 | 174.1 | -176.3 | 179.7 | -58.6 | 0 | 0 | 110 | F857 S861 D862 F863 S875 V876 A889 I901 A904 M905 I908 | F857-M887 HydrophobicContact CE2-CB 3.93Å; F857-M887 HydrophobicContact CE2-CE 4.48Å; F857-M887 HydrophobicContact CZ-CB 4.33Å; F857-M887 HydrophobicContact CZ-CE 4.35Å; S861-M887 CarbonylContact C-O 3.52Å; S861-M887 WeakPolarHBondContact CA-O 3.4Å; S861-M887 WeakPolarHBondContact CB-O 3.26Å; S861-M887 PolarHBondContact OG-N 3.15Å; D862-M887 PolarHBondContact N-O 3.16Å; F863-M887 HydrophobicContact CE1-CG 4.47Å; F863-M887 HydrophobicContact CE1-SD 3.84Å; S875-M887 CarbonylContact O-C 3.54Å; S875-M887 WeakPolarHBondContact O-CA 3.21Å; V876-M887 HydrophobicContact CG1-CB 4.2Å; V876-M887 HydrophobicContact CG1-CE 3.93Å; V876-M887 HydrophobicContact CG1-CG 3.99Å; M887-A889 HydrophobicContact CG-CB 4.26Å; M887-A889 HydrophobicContact SD-CB 4.26Å; M887-I901 HydrophobicContact SD-CG2 4.26Å; M887-A904 HydrophobicContact CE-CB 3.59Å; M887-A904 HydrophobicContact SD-CB 4.16Å; M887-M905 HydrophobicContact CE-CE 4.2Å; M887-M905 HydrophobicContact CE-CG 3.96Å; M887-M905 HydrophobicContact CE-SD 4Å; M887-I908 HydrophobicContact CB-CD1 4.43Å; M887-I908 HydrophobicContact CE-CD1 3.56Å |
| 888 | L | 89.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.2 | 162.9 | 176.5 | 66.4 | 0 | 0 | 0 | 107.3 | W590 A593 D862 P865 Y867 L869 Y873 T874 S875 | W590-L888 HydrophobicContact CH2-CB 4.36Å; W590-L888 HydrophobicContact CZ3-CB 4.08Å; A593-L888 HydrophobicContact CB-CD2 4.19Å; D862-L888 HydrophobicContact CB-CD1 3.95Å; D862-L888 WeakPolarHBondContact O-CA 3.5Å; P865-L888 HydrophobicContact CB-CD1 4.13Å; P865-L888 HydrophobicContact CG-CD1 4.36Å; Y867-L888 WeakPolarHBondContact OH-CD1 3.35Å; Y867-L888 WeakPolarHBondContact OH-CD2 3.24Å; L869-L888 HydrophobicContact CD1-CD1 4.22Å; L869-L888 HydrophobicContact CD1-CD2 4.29Å; L869-L888 HydrophobicContact CD1-CG 4.05Å; Y873-L888 HydrophobicContact CE1-CD2 4.16Å; T874-L888 CarbonylContact C-O 3.59Å; T874-L888 WeakPolarHBondContact CA-O 3.15Å; S875-L888 PolarHBondContact N-O 3.05Å; S875-L888 PolarHBondContact O-N 3.47Å |
| 889 | A | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D862 F863 P865 T874 M887 I901 | D862-A889 PolarHBondContact O-N 2.83Å; F863-A889 HydrophobicContact CD1-CB 4.17Å; P865-A889 WeakPolarHBondContact CD-O 3.11Å; T874-A889 HydrophobicContact CG2-CB 4.25Å; M887-A889 HydrophobicContact CG-CB 4.26Å; M887-A889 HydrophobicContact SD-CB 4.26Å; A889-I901 HydrophobicContact CB-CD1 4.26Å; A889-I901 HydrophobicContact CB-CG1 4.2Å |
| 890 | S | 84.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -54.7 | 140.1 | 171.6 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | S834 P870 Y873 Q892 N897 | S834-S890 WeakPolarHBondContact CB-O 3.42Å; S834-S890 PolarHBondContact OG-O 3.23Å; P870-S890 VanDerWaalsContact O-CB 3.25Å; P870-S890 WeakPolarHBondContact O-CB 3.28Å; P870-S890 PolarHBondContact O-OG 2.88Å; P870-S890 VanDerWaalsContact O-OG 3.12Å; Y873-S890 PolarHBondContact O-N 3.06Å; S890-Q892 PolarHBondContact O-N 3.1Å; S890-Q892 PolarHBondContact OG-N 3.12Å; S890-N897 PolarHBondContact O-ND2 3.49Å | ||
| 891 | S | 82.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 37% | 0.371 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -73.1 | -9.4 | 173.5 | 57 | 0 | 0 | 0 | 0 | 112.7 | ||
| 892 | Q | 80 | Confident | 86.9 | Confident | 80 Ų | 80 | 33.2 Ų | 33.2 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | trans | -73.5 | 131.7 | -176.7 | -61.4 | -163.5 | -7.9 | 0 | 0 | 112.3 | E871 S890 T894 N897 | E871-Q892 VanDerWaalsContact CG-OE1 3.26Å; S890-Q892 PolarHBondContact O-N 3.1Å; S890-Q892 PolarHBondContact OG-N 3.12Å; Q892-T894 HydrophobicContact CB-CG2 4.37Å; Q892-T894 PolarHBondContact O-N 3.31Å; Q892-N897 WeakPolarHBondContact O-CB 3.44Å; Q892-N897 PolarHBondContact O-ND2 3.32Å | ||
| 893 | V | 83.7 | Confident | 88 | Confident | 28 Ų | 28 | 27.8 Ų | 27.8 | 17% | 0.17 | 14% | 0.141 | C | C | . | . | trans | -97.8 | 81.1 | -177 | -176 | 0 | 0 | 0 | 0 | 109.6 | L827 L828 Y832 | L827-V893 HydrophobicContact CB-CG1 4.03Å; L828-V893 HydrophobicContact CD2-CB 4.05Å; L828-V893 HydrophobicContact CD2-CG1 4.21Å; Y832-V893 WeakPolarHBondContact O-CG1 3.46Å; Y832-V893 VanDerWaalsContact O-CG2 3.26Å; Y832-V893 WeakPolarHBondContact O-CG2 3.29Å | ||
| 894 | T | 82.7 | Confident | 88.4 | Confident | 17 Ų | 17 | 24 Ų | 24 | 10% | 0.104 | 12% | 0.121 | C | C | . | . | trans | -123.2 | 165.6 | 179.1 | 77.9 | 0 | 0 | 0 | 0 | 112.2 | E871 Q892 K896 N897 F898 | E871-T894 HydrophobicContact CG-CG2 3.54Å; E871-T894 WeakPolarHBondContact OE1-CB 3.48Å; E871-T894 VanDerWaalsContact OE1-CG2 3.25Å; E871-T894 WeakPolarHBondContact OE1-CG2 3.3Å; E871-T894 PolarHBondContact OE1-OG1 2.86Å; Q892-T894 HydrophobicContact CB-CG2 4.37Å; Q892-T894 PolarHBondContact O-N 3.31Å; T894-K896 VanDerWaalsContact C-N 3.28Å; T894-K896 PolarHBondContact O-N 2.97Å; T894-N897 PolarHBondContact O-N 3.36Å; T894-N897 PolarHBondContact OG1-N 3.48Å; T894-F898 WeakPolarHBondContact O-CB 3.46Å; T894-F898 PolarHBondContact O-N 3.06Å | ||
| 895 | W | 83.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 22.4 Ų | 22.4 | 13% | 0.125 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.6 | -33 | 178.5 | 178.2 | -107.3 | 0 | 0 | 0 | 111.4 | R823 E824 L827 F898 L899 L947 L952 | R823-W895 HydrophobicContact CB-CB 4.16Å; R823-W895 HydrophobicContact CB-CD2 3.92Å; R823-W895 HydrophobicContact CB-CE3 3.81Å; R823-W895 HydrophobicContact CB-CG 4.04Å; R823-W895 VanDerWaalsContact CD-CD2 3.42Å; R823-W895 VanDerWaalsContact CD-CE2 3.47Å; R823-W895 HydrophobicContact CG-CD2 4.3Å; R823-W895 HydrophobicContact CG-CE3 4.32Å; R823-W895 VanDerWaalsContact NH1-CZ2 3.25Å; R823-W895 VanDerWaalsContact NH1-NE1 3.16Å; E824-W895 HydrophobicContact CG-CB 3.85Å; L827-W895 HydrophobicContact CD1-CE3 4.31Å; W895-F898 HydrophobicContact CE3-CB 4.17Å; W895-F898 AromaticContact CE3-CD1 3.89Å; W895-F898 HydrophobicContact CE3-CD1 3.89Å; W895-F898 HydrophobicContact CE3-CG 4.14Å; W895-F898 AromaticContact CH2-CD1 3.79Å; W895-F898 HydrophobicContact CH2-CD1 3.79Å; W895-F898 AromaticContact CH2-CE1 3.92Å; W895-F898 HydrophobicContact CH2-CE1 3.92Å; W895-F898 HydrophobicContact CZ3-CB 4.49Å; W895-F898 AromaticContact CZ3-CD1 3.36Å; W895-F898 HydrophobicContact CZ3-CD1 3.36Å; W895-F898 AromaticContact CZ3-CE1 3.64Å; W895-F898 HydrophobicContact CZ3-CE1 3.64Å; W895-F898 AromaticContact CZ3-CG 3.98Å; W895-F898 HydrophobicContact CZ3-CG 3.98Å; W895-F898 HydrophobicContact CZ3-CZ 4.48Å; W895-F898 WeakPolarHBondContact O-CB 3.33Å; W895-F898 PolarHBondContact O-N 3.2Å; W895-L899 HydrophobicContact CH2-CD2 4.27Å; W895-L899 HydrophobicContact CZ2-CD1 4.2Å; W895-L899 HydrophobicContact CZ2-CD2 3.81Å; W895-L899 HydrophobicContact CZ2-CG 4.04Å; W895-L899 PolarHBondContact O-N 2.95Å; W895-L899 VanDerWaalsContact O-N 3.11Å; W895-L947 HydrophobicContact CH2-CD2 3.57Å; W895-L947 HydrophobicContact CZ3-CD2 3.9Å; W895-L952 HydrophobicContact CZ3-CD1 4.24Å |
| 896 | K | 84 | Confident | 88.6 | Confident | 108 Ų | 108 | 22.2 Ų | 22.2 | 47% | 0.47 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 172.7 | -68.2 | -179.3 | -179.1 | 168.7 | 0 | 111.3 | E871 T894 F898 L899 A900 | E871-K896 IonicContact OE2-NZ 3.49Å; T894-K896 VanDerWaalsContact C-N 3.28Å; T894-K896 PolarHBondContact O-N 2.97Å; K896-F898 VanDerWaalsContact C-N 3.3Å; K896-F898 PolarHBondContact O-N 3.34Å; K896-L899 PolarHBondContact O-N 3.33Å; K896-A900 WeakPolarHBondContact O-CB 3.13Å; K896-A900 PolarHBondContact O-N 2.73Å |
| 897 | N | 88.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.7 | -34.9 | 176.3 | -159.4 | 25 | 0 | 0 | 0 | 112 | S834 E871 S890 Q892 T894 L899 A900 I901 | S834-N897 PolarHBondContact OG-ND2 3.42Å; E871-N897 WeakPolarHBondContact O-CB 3.44Å; S890-N897 PolarHBondContact O-ND2 3.49Å; Q892-N897 WeakPolarHBondContact O-CB 3.44Å; Q892-N897 PolarHBondContact O-ND2 3.32Å; T894-N897 PolarHBondContact O-N 3.36Å; T894-N897 PolarHBondContact OG1-N 3.48Å; N897-L899 VanDerWaalsContact C-N 3.34Å; N897-L899 PolarHBondContact O-N 3.37Å; N897-A900 PolarHBondContact O-N 3.25Å; N897-I901 WeakPolarHBondContact O-CG1 2.88Å; N897-I901 PolarHBondContact O-N 3.45Å |
| 898 | F | 89.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.3 | -47.8 | 173.5 | -174.3 | -88.6 | 0 | 0 | 0 | 111.7 | L827 Y832 I837 V840 T894 W895 K896 H902 V941 L952 | L827-F898 HydrophobicContact CD1-CB 4.08Å; L827-F898 HydrophobicContact CD1-CD2 4.26Å; L827-F898 HydrophobicContact CD1-CG 4.39Å; L827-F898 HydrophobicContact CD2-CD2 3.71Å; L827-F898 HydrophobicContact CD2-CE2 4Å; Y832-F898 HydrophobicContact CE1-CE2 4.06Å; I837-F898 HydrophobicContact CB-CD2 4.44Å; I837-F898 HydrophobicContact CD1-CB 4.46Å; I837-F898 HydrophobicContact CD1-CD2 4.3Å; I837-F898 HydrophobicContact CG1-CD2 3.99Å; I837-F898 HydrophobicContact CG2-CB 4.49Å; I837-F898 HydrophobicContact CG2-CD2 3.75Å; I837-F898 HydrophobicContact CG2-CE2 4.28Å; I837-F898 HydrophobicContact CG2-CG 4.27Å; V840-F898 HydrophobicContact CG1-CZ 4.42Å; T894-F898 WeakPolarHBondContact O-CB 3.46Å; T894-F898 PolarHBondContact O-N 3.06Å; W895-F898 HydrophobicContact CE3-CB 4.17Å; W895-F898 AromaticContact CE3-CD1 3.89Å; W895-F898 HydrophobicContact CE3-CD1 3.89Å; W895-F898 HydrophobicContact CE3-CG 4.14Å; W895-F898 AromaticContact CH2-CD1 3.79Å; W895-F898 HydrophobicContact CH2-CD1 3.79Å; W895-F898 AromaticContact CH2-CE1 3.92Å; W895-F898 HydrophobicContact CH2-CE1 3.92Å; W895-F898 HydrophobicContact CZ3-CB 4.49Å; W895-F898 AromaticContact CZ3-CD1 3.36Å; W895-F898 HydrophobicContact CZ3-CD1 3.36Å; W895-F898 AromaticContact CZ3-CE1 3.64Å; W895-F898 HydrophobicContact CZ3-CE1 3.64Å; W895-F898 AromaticContact CZ3-CG 3.98Å; W895-F898 HydrophobicContact CZ3-CG 3.98Å; W895-F898 HydrophobicContact CZ3-CZ 4.48Å; W895-F898 WeakPolarHBondContact O-CB 3.33Å; W895-F898 PolarHBondContact O-N 3.2Å; K896-F898 VanDerWaalsContact C-N 3.3Å; K896-F898 PolarHBondContact O-N 3.34Å; F898-H902 AromaticContact CD1-CE1 3.91Å; F898-H902 AromaticContact CD1-ND1 3.9Å; F898-H902 AromaticContact CE1-CE1 3.41Å; F898-H902 VanDerWaalsContact CE1-CE1 3.41Å; F898-H902 WeakPolarHBondContact CE1-CE1 3.36Å; F898-H902 AromaticContact CE1-ND1 3.8Å; F898-H902 AromaticContact CE2-CE1 3.76Å; F898-H902 AromaticContact CZ-CE1 3.31Å; F898-H902 WeakPolarHBondContact CZ-CE1 3.47Å; F898-H902 AromaticContact CZ-NE2 4Å; F898-H902 PolarHBondContact O-N 3.47Å; F898-H902 PolarHBondContact O-ND1 3.3Å; F898-V941 HydrophobicContact CD1-CG1 4.28Å; F898-V941 HydrophobicContact CE1-CG1 3.5Å; F898-V941 HydrophobicContact CZ-CG1 4.39Å; F898-L952 HydrophobicContact CE1-CD1 4.42Å; F898-L952 HydrophobicContact CE2-CD1 4.26Å; F898-L952 HydrophobicContact CZ-CD1 3.91Å |
| 899 | L | 89.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 24.9 Ų | 24.9 | 15% | 0.147 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.4 | -40.4 | 175.6 | -67 | 179.3 | 0 | 0 | 0 | 112.3 | W895 K896 N897 I901 H902 K903 A938 V941 | W895-L899 HydrophobicContact CH2-CD2 4.27Å; W895-L899 HydrophobicContact CZ2-CD1 4.2Å; W895-L899 HydrophobicContact CZ2-CD2 3.81Å; W895-L899 HydrophobicContact CZ2-CG 4.04Å; W895-L899 PolarHBondContact O-N 2.95Å; W895-L899 VanDerWaalsContact O-N 3.11Å; K896-L899 PolarHBondContact O-N 3.33Å; N897-L899 VanDerWaalsContact C-N 3.34Å; N897-L899 PolarHBondContact O-N 3.37Å; L899-I901 PolarHBondContact O-N 2.99Å; L899-H902 PolarHBondContact O-N 3.37Å; L899-K903 WeakPolarHBondContact O-CG 3.38Å; L899-K903 PolarHBondContact O-N 3.19Å; L899-A938 HydrophobicContact CD2-CB 4.42Å; L899-V941 HydrophobicContact CD2-CG1 4.33Å |
| 900 | A | 89.1 | Confident | 88.6 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 11% | 0.107 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S872 T874 K896 N897 H902 K903 A904 | S872-A900 WeakPolarHBondContact O-CB 3.25Å; T874-A900 HydrophobicContact CG2-CB 3.67Å; K896-A900 WeakPolarHBondContact O-CB 3.13Å; K896-A900 PolarHBondContact O-N 2.73Å; N897-A900 PolarHBondContact O-N 3.25Å; A900-H902 PolarHBondContact O-N 3.31Å; A900-K903 PolarHBondContact O-N 3.23Å; A900-A904 VanDerWaalsContact O-CB 3.27Å; A900-A904 WeakPolarHBondContact O-CB 3.37Å; A900-A904 PolarHBondContact O-N 3.31Å |
| 901 | I | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 176.7 | -68.1 | 170.3 | 0 | 0 | 0 | 111.6 | I837 A838 T874 M887 A889 N897 L899 A904 M905 | I837-I901 HydrophobicContact CB-CD1 3.96Å; I837-I901 HydrophobicContact CD1-CD1 4.34Å; I837-I901 HydrophobicContact CG2-CB 3.79Å; I837-I901 HydrophobicContact CG2-CD1 3.79Å; I837-I901 HydrophobicContact CG2-CG1 4.36Å; I837-I901 HydrophobicContact CG2-CG2 3.83Å; A838-I901 HydrophobicContact CB-CG2 4.02Å; T874-I901 HydrophobicContact CG2-CG1 4.05Å; M887-I901 HydrophobicContact SD-CG2 4.26Å; A889-I901 HydrophobicContact CB-CD1 4.26Å; A889-I901 HydrophobicContact CB-CG1 4.2Å; N897-I901 WeakPolarHBondContact O-CG1 2.88Å; N897-I901 PolarHBondContact O-N 3.45Å; L899-I901 PolarHBondContact O-N 2.99Å; I901-A904 PolarHBondContact O-N 2.98Å; I901-M905 WeakPolarHBondContact O-CB 3.42Å; I901-M905 WeakPolarHBondContact O-CG 3.17Å; I901-M905 PolarHBondContact O-N 3.08Å |
| 902 | H | 93.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 175.2 | -77.9 | 77.2 | 0 | 0 | 0 | 112.4 | F898 L899 A900 M905 A906 V937 V941 | F898-H902 AromaticContact CD1-CE1 3.91Å; F898-H902 AromaticContact CD1-ND1 3.9Å; F898-H902 AromaticContact CE1-CE1 3.41Å; F898-H902 VanDerWaalsContact CE1-CE1 3.41Å; F898-H902 WeakPolarHBondContact CE1-CE1 3.36Å; F898-H902 AromaticContact CE1-ND1 3.8Å; F898-H902 AromaticContact CE2-CE1 3.76Å; F898-H902 AromaticContact CZ-CE1 3.31Å; F898-H902 WeakPolarHBondContact CZ-CE1 3.47Å; F898-H902 AromaticContact CZ-NE2 4Å; F898-H902 PolarHBondContact O-N 3.47Å; F898-H902 PolarHBondContact O-ND1 3.3Å; L899-H902 PolarHBondContact O-N 3.37Å; A900-H902 PolarHBondContact O-N 3.31Å; H902-M905 PolarHBondContact O-N 2.86Å; H902-A906 PolarHBondContact O-N 2.97Å; H902-V937 HydrophobicContact CB-CG1 4.2Å; H902-V941 HydrophobicContact CB-CG2 4.48Å |
| 903 | K | 93.3 | Very high | 90 | Very high | 70 Ų | 70 | 21.9 Ų | 21.9 | 30% | 0.304 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -64 | -47.1 | 172.7 | -69.8 | -178.5 | 177.7 | -174.4 | 0 | 111.2 | L899 A900 M905 A906 R907 E934 A938 | L899-K903 WeakPolarHBondContact O-CG 3.38Å; L899-K903 PolarHBondContact O-N 3.19Å; A900-K903 PolarHBondContact O-N 3.23Å; K903-M905 VanDerWaalsContact C-N 3.3Å; K903-M905 PolarHBondContact O-N 3.36Å; K903-A906 WeakPolarHBondContact O-CA 3.3Å; K903-A906 VanDerWaalsContact O-CB 3.23Å; K903-A906 WeakPolarHBondContact O-CB 3.35Å; K903-A906 PolarHBondContact O-N 2.76Å; K903-R907 PolarHBondContact O-N 3.24Å; K903-R907 VanDerWaalsContact O-N 3.07Å; K903-E934 HydrophobicContact CB-CB 3.94Å; K903-E934 HydrophobicContact CB-CG 4.09Å; K903-E934 HydrophobicContact CD-CB 4.28Å; K903-E934 HydrophobicContact CG-CB 3.92Å; K903-A938 HydrophobicContact CG-CB 4.42Å |
| 904 | A | 92.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 4% | 0.041 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.9 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V876 M887 A900 I901 A906 R907 I908 | V876-A904 HydrophobicContact CG1-CB 3.64Å; M887-A904 HydrophobicContact CE-CB 3.59Å; M887-A904 HydrophobicContact SD-CB 4.16Å; A900-A904 VanDerWaalsContact O-CB 3.27Å; A900-A904 WeakPolarHBondContact O-CB 3.37Å; A900-A904 PolarHBondContact O-N 3.31Å; I901-A904 PolarHBondContact O-N 2.98Å; A904-A906 PolarHBondContact O-N 2.88Å; A904-R907 WeakPolarHBondContact O-CB 3.49Å; A904-R907 PolarHBondContact O-N 3.36Å; A904-I908 PolarHBondContact O-N 3.28Å |
| 905 | M | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 173.1 | -77.4 | -67.2 | -168.7 | 0 | 0 | 113.2 | A838 A841 F845 M853 F857 W858 M887 I901 H902 K903 R907 I908 Q909 | A838-M905 HydrophobicContact CB-CE 3.69Å; A841-M905 HydrophobicContact CB-CB 4.23Å; A841-M905 HydrophobicContact CB-CG 3.77Å; F845-M905 HydrophobicContact CD2-CB 4.05Å; F845-M905 HydrophobicContact CE2-CB 3.48Å; F845-M905 VanDerWaalsContact CE2-CB 3.48Å; F845-M905 HydrophobicContact CZ-CB 4.37Å; M853-M905 HydrophobicContact CG-CE 4.2Å; M853-M905 HydrophobicContact CG-SD 4.11Å; M853-M905 HydrophobicContact SD-SD 3.8Å; F857-M905 HydrophobicContact CE1-CE 3.64Å; F857-M905 HydrophobicContact CE2-CE 4.5Å; F857-M905 HydrophobicContact CZ-CE 3.43Å; F857-M905 VanDerWaalsContact CZ-CE 3.43Å; F857-M905 HydrophobicContact CZ-SD 4.12Å; W858-M905 HydrophobicContact CH2-CE 4.4Å; M887-M905 HydrophobicContact CE-CE 4.2Å; M887-M905 HydrophobicContact CE-CG 3.96Å; M887-M905 HydrophobicContact CE-SD 4Å; I901-M905 WeakPolarHBondContact O-CB 3.42Å; I901-M905 WeakPolarHBondContact O-CG 3.17Å; I901-M905 PolarHBondContact O-N 3.08Å; H902-M905 PolarHBondContact O-N 2.86Å; K903-M905 VanDerWaalsContact C-N 3.3Å; K903-M905 PolarHBondContact O-N 3.36Å; M905-R907 VanDerWaalsContact C-N 3.28Å; M905-R907 PolarHBondContact O-N 3.05Å; M905-I908 PolarHBondContact O-N 3.42Å; M905-I908 HydrophobicContact SD-CD1 4.24Å; M905-Q909 WeakPolarHBondContact O-CG 3.46Å; M905-Q909 PolarHBondContact O-N 2.84Å |
| 906 | A | 92.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F845 H902 K903 A904 Q909 Y910 I933 E934 V937 | F845-A906 HydrophobicContact CE1-CB 4.29Å; F845-A906 VanDerWaalsContact CZ-CA 3.49Å; F845-A906 HydrophobicContact CZ-CB 3.73Å; H902-A906 PolarHBondContact O-N 2.97Å; K903-A906 WeakPolarHBondContact O-CA 3.3Å; K903-A906 VanDerWaalsContact O-CB 3.23Å; K903-A906 WeakPolarHBondContact O-CB 3.35Å; K903-A906 PolarHBondContact O-N 2.76Å; A904-A906 PolarHBondContact O-N 2.88Å; A906-Q909 WeakPolarHBondContact O-CB 3.27Å; A906-Q909 PolarHBondContact O-N 3.26Å; A906-Y910 PolarHBondContact O-N 2.97Å; A906-I933 HydrophobicContact CB-CG2 4.47Å; A906-E934 HydrophobicContact CB-CG 4.25Å; A906-V937 HydrophobicContact CB-CB 4.36Å; A906-V937 HydrophobicContact CB-CG2 3.9Å |
| 907 | R | 91.2 | Very high | 90.8 | Very high | 77 Ų | 77 | 24.2 Ų | 24.2 | 29% | 0.291 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.6 | -39 | 175.7 | -168.8 | 175.1 | -69.1 | -179.9 | 2.4 | 112 | V876 K903 A904 M905 Q909 Y910 F911 Y930 E931 E934 | V876-R907 HydrophobicContact CG2-CB 4.03Å; V876-R907 VanDerWaalsContact CG2-CD 3.41Å; V876-R907 HydrophobicContact CG2-CG 3.85Å; K903-R907 PolarHBondContact O-N 3.24Å; K903-R907 VanDerWaalsContact O-N 3.07Å; A904-R907 WeakPolarHBondContact O-CB 3.49Å; A904-R907 PolarHBondContact O-N 3.36Å; M905-R907 VanDerWaalsContact C-N 3.28Å; M905-R907 PolarHBondContact O-N 3.05Å; R907-Q909 VanDerWaalsContact C-N 3.31Å; R907-Q909 PolarHBondContact O-N 3.49Å; R907-Y910 WeakPolarHBondContact O-CB 3.28Å; R907-Y910 PolarHBondContact O-N 2.63Å; R907-Y910 VanDerWaalsContact O-N 3.15Å; R907-F911 HydrophobicContact CG-CE1 3.76Å; R907-F911 HydrophobicContact CG-CZ 3.72Å; R907-F911 WeakPolarHBondContact O-CD1 3.31Å; R907-F911 WeakPolarHBondContact O-CG 3.5Å; R907-F911 PolarHBondContact O-N 2.89Å; R907-Y930 HydrophobicContact CG-CD1 4.24Å; R907-Y930 HydrophobicContact CG-CE1 4.08Å; R907-E931 IonicContact NH2-OE1 3.91Å; R907-E931 PolarHBondContact NH2-OE1 3.11Å; R907-E934 IonicContact CZ-OE1 2.87Å; R907-E934 IonicContact NE-OE1 2.78Å; R907-E934 PolarHBondContact NE-OE1 2.94Å; R907-E934 IonicContact NH2-OE1 3.96Å; R907-E934 PolarHBondContact NH2-OE1 2.77Å; R907-E934 IonicContact NH2-OE2 3.1Å; R907-E934 PolarHBondContact NH2-OE2 3.38Å |
| 908 | I | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 172.3 | -65 | 169.7 | 0 | 0 | 0 | 111.5 | M853 F857 V876 Y885 M887 A904 M905 Y910 F911 M912 | M853-I908 HydrophobicContact CE-CG2 4.39Å; M853-I908 HydrophobicContact SD-CG2 3.76Å; F857-I908 HydrophobicContact CD2-CD1 4.11Å; F857-I908 HydrophobicContact CE2-CD1 3.46Å; F857-I908 VanDerWaalsContact CE2-CD1 3.46Å; F857-I908 HydrophobicContact CZ-CD1 4.23Å; V876-I908 HydrophobicContact CB-CG1 4.17Å; V876-I908 HydrophobicContact CG1-CD1 3.97Å; V876-I908 HydrophobicContact CG1-CG1 4.05Å; Y885-I908 HydrophobicContact CG-CG2 4.29Å; M887-I908 HydrophobicContact CB-CD1 4.43Å; M887-I908 HydrophobicContact CE-CD1 3.56Å; A904-I908 PolarHBondContact O-N 3.28Å; M905-I908 PolarHBondContact O-N 3.42Å; M905-I908 HydrophobicContact SD-CD1 4.24Å; I908-Y910 VanDerWaalsContact C-N 3.27Å; I908-Y910 PolarHBondContact O-N 3.46Å; I908-F911 HydrophobicContact CG1-CD2 4.34Å; I908-F911 WeakPolarHBondContact O-CA 3.44Å; I908-F911 VanDerWaalsContact O-CB 3.29Å; I908-F911 WeakPolarHBondContact O-CB 3.41Å; I908-F911 PolarHBondContact O-N 2.65Å; I908-M912 HydrophobicContact CG2-CG 4.34Å; I908-M912 HydrophobicContact CG2-SD 4.22Å; I908-M912 WeakPolarHBondContact O-CG 3.36Å; I908-M912 PolarHBondContact O-N 2.61Å |
| 909 | Q | 92.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -35.7 | 174.2 | -73.3 | -71.5 | -11.7 | 0 | 0 | 112.1 | F845 P851 M853 M905 A906 R907 F911 H913 | F845-Q909 HydrophobicContact CB-CG 4.47Å; F845-Q909 HydrophobicContact CD1-CG 3.83Å; F845-Q909 HydrophobicContact CD2-CG 4.4Å; F845-Q909 HydrophobicContact CE1-CG 4.14Å; F845-Q909 HydrophobicContact CG-CG 3.97Å; P851-Q909 PolarHBondContact O-NE2 3.04Å; P851-Q909 VanDerWaalsContact O-NE2 3.12Å; M853-Q909 HydrophobicContact CE-CG 4.39Å; M905-Q909 WeakPolarHBondContact O-CG 3.46Å; M905-Q909 PolarHBondContact O-N 2.84Å; A906-Q909 WeakPolarHBondContact O-CB 3.27Å; A906-Q909 PolarHBondContact O-N 3.26Å; R907-Q909 VanDerWaalsContact C-N 3.31Å; R907-Q909 PolarHBondContact O-N 3.49Å; Q909-F911 VanDerWaalsContact C-N 3.33Å; Q909-F911 PolarHBondContact O-N 2.73Å; Q909-H913 WeakPolarHBondContact O-CB 3.32Å; Q909-H913 PolarHBondContact O-N 3.27Å; Q909-H913 VanDerWaalsContact O-N 3.13Å; Q909-H913 PolarHBondContact O-ND1 3.38Å; Q909-H913 PolarHBondContact OE1-CE1 3.16Å; Q909-H913 VanDerWaalsContact OE1-CE1 3.25Å |
| 910 | Y | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.5 | -49.8 | 167.6 | -109.9 | -71 | 0 | 0 | 0 | 111.1 | A906 R907 I908 M912 H913 Y914 A924 Y930 I933 M1082 L1083 | A906-Y910 PolarHBondContact O-N 2.97Å; R907-Y910 WeakPolarHBondContact O-CB 3.28Å; R907-Y910 PolarHBondContact O-N 2.63Å; R907-Y910 VanDerWaalsContact O-N 3.15Å; I908-Y910 VanDerWaalsContact C-N 3.27Å; I908-Y910 PolarHBondContact O-N 3.46Å; Y910-M912 VanDerWaalsContact C-N 3.34Å; Y910-M912 PolarHBondContact O-N 2.74Å; Y910-H913 PolarHBondContact O-N 3.08Å; Y910-H913 VanDerWaalsContact O-N 3.14Å; Y910-Y914 AromaticContact CD1-CD1 3.89Å; Y910-Y914 HydrophobicContact CD1-CD1 3.89Å; Y910-Y914 AromaticContact CD1-CE1 3.87Å; Y910-Y914 HydrophobicContact CD1-CE1 3.87Å; Y910-Y914 HydrophobicContact CG-CE1 4.35Å; Y910-Y914 WeakPolarHBondContact O-CD1 3.31Å; Y910-Y914 WeakPolarHBondContact O-CE1 3.49Å; Y910-Y914 VanDerWaalsContact O-CG 3.28Å; Y910-Y914 PolarHBondContact O-N 3.33Å; Y910-Y914 VanDerWaalsContact O-N 3.1Å; Y910-A924 HydrophobicContact CE1-CB 4.16Å; Y910-Y930 AromaticContact CD1-CE1 3.98Å; Y910-Y930 HydrophobicContact CD1-CE1 3.98Å; Y910-Y930 AromaticContact CD2-CD1 3.52Å; Y910-Y930 HydrophobicContact CD2-CD1 3.52Å; Y910-Y930 AromaticContact CD2-CE1 3.45Å; Y910-Y930 HydrophobicContact CD2-CE1 3.45Å; Y910-Y930 VanDerWaalsContact CD2-CE1 3.45Å; Y910-Y930 HydrophobicContact CE1-CE1 4.45Å; Y910-Y930 AromaticContact CE2-CD1 3.71Å; Y910-Y930 HydrophobicContact CE2-CD1 3.71Å; Y910-Y930 AromaticContact CE2-CE1 3.97Å; Y910-Y930 HydrophobicContact CE2-CE1 3.97Å; Y910-Y930 HydrophobicContact CG-CD1 4.02Å; Y910-Y930 AromaticContact CG-CE1 3.43Å; Y910-Y930 HydrophobicContact CG-CE1 3.43Å; Y910-Y930 VanDerWaalsContact CG-CE1 3.43Å; Y910-I933 HydrophobicContact CE2-CB 4.13Å; Y910-I933 HydrophobicContact CE2-CG1 3.97Å; Y910-I933 HydrophobicContact CE2-CG2 4.32Å; Y910-M1082 HydrophobicContact CE1-SD 4.45Å; Y910-M1082 WeakPolarHBondContact OH-CE 3.45Å; Y910-M1082 PolarHBondContact OH-SD 3.47Å; Y910-L1083 HydrophobicContact CD1-CB 4.37Å; Y910-L1083 HydrophobicContact CD1-CD2 3.57Å; Y910-L1083 HydrophobicContact CD2-CD2 3.45Å; Y910-L1083 VanDerWaalsContact CD2-CD2 3.45Å; Y910-L1083 HydrophobicContact CE1-CD2 3.46Å; Y910-L1083 VanDerWaalsContact CE1-CD2 3.46Å; Y910-L1083 HydrophobicContact CE2-CD2 3.36Å; Y910-L1083 HydrophobicContact CG-CD2 3.57Å |
| 911 | F | 91.5 | Very high | 89.8 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 6% | 0.057 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | -176.9 | -54.6 | -12.6 | 0 | 0 | 0 | 112 | V876 D878 Y885 R907 I908 Q909 H913 Y914 A915 | V876-F911 HydrophobicContact CB-CE2 4.3Å; V876-F911 HydrophobicContact CG2-CE2 4.13Å; V876-F911 HydrophobicContact CG2-CZ 4.18Å; D878-F911 HydrophobicContact CB-CB 4.37Å; D878-F911 HydrophobicContact CB-CD1 4.21Å; D878-F911 HydrophobicContact CB-CD2 3.67Å; D878-F911 HydrophobicContact CB-CE1 4.32Å; D878-F911 HydrophobicContact CB-CE2 3.85Å; D878-F911 HydrophobicContact CB-CG 3.85Å; D878-F911 HydrophobicContact CB-CZ 4.14Å; D878-F911 VanDerWaalsContact N-CE2 3.33Å; Y885-F911 HydrophobicContact CD1-CB 3.69Å; Y885-F911 HydrophobicContact CD1-CD2 4.09Å; Y885-F911 HydrophobicContact CD1-CG 4.4Å; Y885-F911 HydrophobicContact CE1-CB 3.53Å; R907-F911 HydrophobicContact CG-CE1 3.76Å; R907-F911 HydrophobicContact CG-CZ 3.72Å; R907-F911 WeakPolarHBondContact O-CD1 3.31Å; R907-F911 WeakPolarHBondContact O-CG 3.5Å; R907-F911 PolarHBondContact O-N 2.89Å; I908-F911 HydrophobicContact CG1-CD2 4.34Å; I908-F911 WeakPolarHBondContact O-CA 3.44Å; I908-F911 VanDerWaalsContact O-CB 3.29Å; I908-F911 WeakPolarHBondContact O-CB 3.41Å; I908-F911 PolarHBondContact O-N 2.65Å; Q909-F911 VanDerWaalsContact C-N 3.33Å; Q909-F911 PolarHBondContact O-N 2.73Å; F911-H913 PolarHBondContact O-N 3.42Å; F911-Y914 VanDerWaalsContact CA-CE2 3.49Å; F911-Y914 HydrophobicContact CB-CE2 4.34Å; F911-Y914 HydrophobicContact CD1-CE1 4.28Å; F911-Y914 HydrophobicContact CD1-CE2 4.28Å; F911-Y914 AromaticContact CD1-CZ 3.59Å; F911-Y914 WeakPolarHBondContact CD1-OH 3.34Å; F911-Y914 VanDerWaalsContact CE1-OH 3.29Å; F911-Y914 WeakPolarHBondContact CE1-OH 3.4Å; F911-Y914 WeakPolarHBondContact O-CD2 3.46Å; F911-A915 WeakPolarHBondContact O-CB 3.4Å; F911-A915 PolarHBondContact O-N 2.94Å |
| 912 | M | 92.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 27.1 Ų | 27.1 | 16% | 0.158 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 177.7 | -66.5 | 174.8 | 73.8 | 0 | 0 | 112.6 | P851 P852 M853 Y885 I908 Y910 A915 | P851-M912 HydrophobicContact CB-CE 3.98Å; P851-M912 HydrophobicContact CG-CE 3.75Å; P852-M912 WeakPolarHBondContact O-CE 3.34Å; M853-M912 HydrophobicContact CE-CE 4.23Å; M853-M912 HydrophobicContact CE-SD 3.35Å; M853-M912 WeakPolarHBondContact CE-SD 3.34Å; M853-M912 HydrophobicContact SD-SD 4.16Å; Y885-M912 HydrophobicContact CD2-CG 4.04Å; Y885-M912 HydrophobicContact CE2-CG 3.61Å; I908-M912 HydrophobicContact CG2-CG 4.34Å; I908-M912 HydrophobicContact CG2-SD 4.22Å; I908-M912 WeakPolarHBondContact O-CG 3.36Å; I908-M912 PolarHBondContact O-N 2.61Å; Y910-M912 VanDerWaalsContact C-N 3.34Å; Y910-M912 PolarHBondContact O-N 2.74Å; M912-A915 WeakPolarHBondContact O-CB 3.23Å |
| 913 | H | 92.1 | Very high | 89 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 12% | 0.116 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -77.2 | -35.8 | -173.9 | -78.2 | 83.3 | 0 | 0 | 0 | 113.4 | M850 Q909 Y910 F911 A1080 L1083 R1084 | M850-H913 VanDerWaalsContact SD-CE1 3.51Å; Q909-H913 WeakPolarHBondContact O-CB 3.32Å; Q909-H913 PolarHBondContact O-N 3.27Å; Q909-H913 VanDerWaalsContact O-N 3.13Å; Q909-H913 PolarHBondContact O-ND1 3.38Å; Q909-H913 PolarHBondContact OE1-CE1 3.16Å; Q909-H913 VanDerWaalsContact OE1-CE1 3.25Å; Y910-H913 PolarHBondContact O-N 3.08Å; Y910-H913 VanDerWaalsContact O-N 3.14Å; F911-H913 PolarHBondContact O-N 3.42Å; H913-A1080 WeakPolarHBondContact NE2-CB 3.48Å; H913-L1083 HydrophobicContact CB-CB 3.56Å; H913-R1084 HydrophobicContact CB-CG 4.09Å; H913-R1084 WeakPolarHBondContact O-CA 3.47Å; H913-R1084 WeakPolarHBondContact O-CG 3.12Å |
| 914 | Y | 90.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -91.5 | 5.6 | 175.7 | 61.2 | -132.4 | 0 | 0 | 0 | 113.7 | D878 Y910 F911 N916 Q917 R922 Y930 | D878-Y914 WeakPolarHBondContact OD2-CE2 3.39Å; Y910-Y914 AromaticContact CD1-CD1 3.89Å; Y910-Y914 HydrophobicContact CD1-CD1 3.89Å; Y910-Y914 AromaticContact CD1-CE1 3.87Å; Y910-Y914 HydrophobicContact CD1-CE1 3.87Å; Y910-Y914 HydrophobicContact CG-CE1 4.35Å; Y910-Y914 WeakPolarHBondContact O-CD1 3.31Å; Y910-Y914 WeakPolarHBondContact O-CE1 3.49Å; Y910-Y914 VanDerWaalsContact O-CG 3.28Å; Y910-Y914 PolarHBondContact O-N 3.33Å; Y910-Y914 VanDerWaalsContact O-N 3.1Å; F911-Y914 VanDerWaalsContact CA-CE2 3.49Å; F911-Y914 HydrophobicContact CB-CE2 4.34Å; F911-Y914 HydrophobicContact CD1-CE1 4.28Å; F911-Y914 HydrophobicContact CD1-CE2 4.28Å; F911-Y914 AromaticContact CD1-CZ 3.59Å; F911-Y914 WeakPolarHBondContact CD1-OH 3.34Å; F911-Y914 VanDerWaalsContact CE1-OH 3.29Å; F911-Y914 WeakPolarHBondContact CE1-OH 3.4Å; F911-Y914 WeakPolarHBondContact O-CD2 3.46Å; Y914-N916 PolarHBondContact O-N 3.44Å; Y914-Q917 VanDerWaalsContact O-CB 3.25Å; Y914-Q917 WeakPolarHBondContact O-CB 3.46Å; Y914-Q917 PolarHBondContact O-N 2.88Å; Y914-R922 HydrophobicContact CD2-CB 3.82Å; Y914-R922 HydrophobicContact CD2-CG 3.79Å; Y914-R922 HydrophobicContact CE2-CB 3.67Å; Y914-R922 HydrophobicContact CE2-CG 4.08Å; Y914-R922 PolarHBondContact OH-O 3.49Å; Y914-Y930 WeakPolarHBondContact CE1-OH 3.38Å; Y914-Y930 PolarHBondContact OH-OH 3.37Å; Y914-Y930 VanDerWaalsContact OH-OH 3.04Å |
| 915 | A | 88.5 | Confident | 88 | Confident | 19 Ų | 19 | 27.6 Ų | 27.6 | 16% | 0.157 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y885 F911 M912 R922 | Y885-A915 WeakPolarHBondContact OH-CB 3.49Å; F911-A915 WeakPolarHBondContact O-CB 3.4Å; F911-A915 PolarHBondContact O-N 2.94Å; M912-A915 WeakPolarHBondContact O-CB 3.23Å; A915-R922 PolarHBondContact O-NE 3.05Å; A915-R922 PolarHBondContact O-NH2 3.26Å |
| 916 | N | 84 | Confident | 87.6 | Confident | 155 Ų | 155 | 27.9 Ų | 27.9 | 83% | 0.829 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.9 | 176.8 | -69.7 | -27.5 | 0 | 0 | 0 | 114.5 | Y914 | Y914-N916 PolarHBondContact O-N 3.44Š|
| 917 | Q | 86.5 | Confident | 87.1 | Confident | 56 Ų | 56 | 31 Ų | 31 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -77.5 | 153.9 | 175 | -64.7 | -69 | -20.1 | 0 | 0 | 111.1 | Y914 F921 R922 R1084 | Y914-Q917 VanDerWaalsContact O-CB 3.25Å; Y914-Q917 WeakPolarHBondContact O-CB 3.46Å; Y914-Q917 PolarHBondContact O-N 2.88Å; Q917-F921 HydrophobicContact CB-CB 4.09Å; Q917-R922 HydrophobicContact CB-CG 4.39Å; Q917-R922 PolarHBondContact O-NE 3.33Å; Q917-R1084 WeakPolarHBondContact CG-O 3.45Å; Q917-R1084 PolarHBondContact NE2-O 2.94Å |
| 918 | S | 83.8 | Confident | 86.9 | Confident | 23 Ų | 23 | 27.3 Ų | 27.3 | 16% | 0.161 | 14% | 0.14 | C | C | . | . | trans | -52.4 | 146.7 | 165 | 162 | 0 | 0 | 0 | 0 | 110.2 | D575 V920 F921 R922 | D575-S918 WeakPolarHBondContact OD1-CB 3.43Å; D575-S918 PolarHBondContact OD1-OG 2.96Å; D575-S918 WeakPolarHBondContact OD2-CB 3.47Å; D575-S918 PolarHBondContact OD2-OG 3.37Å; D575-S918 VanDerWaalsContact OD2-OG 3.09Å; S918-V920 PolarHBondContact O-N 2.61Å; S918-V920 VanDerWaalsContact O-N 3.11Å; S918-V920 VanDerWaalsContact OG-CG2 3.3Å; S918-V920 WeakPolarHBondContact OG-CG2 3.41Å; S918-F921 WeakPolarHBondContact O-CA 3.42Å; S918-F921 PolarHBondContact O-N 3.14Å; S918-R922 PolarHBondContact O-N 3.45Å | ||
| 919 | I | 84.8 | Confident | 86.7 | Confident | 18 Ų | 18 | 27.3 Ų | 27.3 | 9% | 0.092 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -57.1 | -32.6 | -174 | -166.8 | 63.1 | 0 | 0 | 0 | 111.8 | Y574 D575 V578 F880 F921 R922 | Y574-I919 HydrophobicContact CD1-CG2 3.85Å; Y574-I919 HydrophobicContact CE1-CG2 3.45Å; Y574-I919 VanDerWaalsContact CE1-CG2 3.45Å; D575-I919 WeakPolarHBondContact OD1-CG2 3.41Å; D575-I919 PolarHBondContact OD1-N 2.72Å; V578-I919 HydrophobicContact CB-CG2 4.06Å; V578-I919 HydrophobicContact CG1-CG1 4.06Å; V578-I919 HydrophobicContact CG1-CG2 4.03Å; F880-I919 HydrophobicContact CB-CD1 4.48Å; F880-I919 HydrophobicContact CD1-CD1 3.13Å; F880-I919 HydrophobicContact CE1-CD1 3.35Å; F880-I919 HydrophobicContact CG-CD1 3.95Å; F880-I919 HydrophobicContact CZ-CD1 4.32Å; I919-F921 PolarHBondContact O-N 3.02Å; I919-F921 VanDerWaalsContact O-N 3.16Å; I919-R922 PolarHBondContact O-N 3.18Å; I919-R922 VanDerWaalsContact O-N 3.17Å |
| 920 | V | 81.9 | Confident | 86.4 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 5% | 0.048 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -61.4 | -24.6 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | M571 Y574 A636 A640 S918 Q923 S1087 | M571-V920 HydrophobicContact CE-CG1 4.19Å; M571-V920 HydrophobicContact CE-CG2 4.38Å; Y574-V920 HydrophobicContact CD1-CG1 3.94Å; Y574-V920 HydrophobicContact CE1-CG1 3.2Å; A636-V920 HydrophobicContact CB-CG2 4.01Å; A640-V920 HydrophobicContact CB-CG1 4Å; S918-V920 PolarHBondContact O-N 2.61Å; S918-V920 VanDerWaalsContact O-N 3.11Å; S918-V920 VanDerWaalsContact OG-CG2 3.3Å; S918-V920 WeakPolarHBondContact OG-CG2 3.41Å; V920-Q923 PolarHBondContact O-NE2 3.2Å; V920-S1087 PolarHBondContact O-OG 3.41Å |
| 921 | F | 86.6 | Confident | 86.2 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -103.5 | -4.3 | -178.4 | -57.9 | -47.2 | 0 | 0 | 0 | 113.5 | I632 R635 A636 K639 Q917 S918 I919 Q923 G1086 S1087 | I632-F921 HydrophobicContact CG2-CE2 4.26Å; I632-F921 HydrophobicContact CG2-CZ 4.37Å; R635-F921 HydrophobicContact CG-CE1 4.27Å; A636-F921 HydrophobicContact CB-CE1 4.4Å; A636-F921 HydrophobicContact CB-CE2 4.06Å; A636-F921 HydrophobicContact CB-CZ 3.6Å; K639-F921 HydrophobicContact CD-CD1 4.27Å; K639-F921 HydrophobicContact CD-CE1 4.35Å; Q917-F921 HydrophobicContact CB-CB 4.09Å; S918-F921 WeakPolarHBondContact O-CA 3.42Å; S918-F921 PolarHBondContact O-N 3.14Å; I919-F921 PolarHBondContact O-N 3.02Å; I919-F921 VanDerWaalsContact O-N 3.16Å; F921-Q923 PolarHBondContact O-N 3.41Å; F921-G1086 WeakPolarHBondContact O-CA 3.07Å; F921-S1087 WeakPolarHBondContact CA-OG 3.25Å; F921-S1087 PolarHBondContact O-N 3.36Å |
| 922 | R | 86.6 | Confident | 86.3 | Confident | 48 Ų | 48 | 29.9 Ų | 29.9 | 18% | 0.181 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -77.6 | 56.5 | 177.7 | -67.1 | -165.8 | -173.1 | 173.9 | 4.9 | 112.7 | F880 Y914 A915 Q917 S918 I919 | F880-R922 PolarHBondContact O-NH1 2.95Å; Y914-R922 HydrophobicContact CD2-CB 3.82Å; Y914-R922 HydrophobicContact CD2-CG 3.79Å; Y914-R922 HydrophobicContact CE2-CB 3.67Å; Y914-R922 HydrophobicContact CE2-CG 4.08Å; Y914-R922 PolarHBondContact OH-O 3.49Å; A915-R922 PolarHBondContact O-NE 3.05Å; A915-R922 PolarHBondContact O-NH2 3.26Å; Q917-R922 HydrophobicContact CB-CG 4.39Å; Q917-R922 PolarHBondContact O-NE 3.33Å; S918-R922 PolarHBondContact O-N 3.45Å; I919-R922 PolarHBondContact O-N 3.18Å; I919-R922 VanDerWaalsContact O-N 3.17Å |
| 923 | Q | 82.5 | Confident | 86.3 | Confident | 76 Ų | 76 | 28.7 Ų | 28.7 | 36% | 0.355 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -153 | 162.7 | 173.2 | 59.8 | -177 | -30.2 | 0 | 0 | 108 | V920 F921 G1086 S1087 | V920-Q923 PolarHBondContact O-NE2 3.2Å; F921-Q923 PolarHBondContact O-N 3.41Å; Q923-G1086 CarbonylContact O-C 3.17Å; Q923-G1086 VanDerWaalsContact O-CA 3.29Å; Q923-G1086 WeakPolarHBondContact O-CA 3.4Å; Q923-S1087 VanDerWaalsContact CG-CB 3.43Å; Q923-S1087 VanDerWaalsContact O-CB 3.29Å; Q923-S1087 WeakPolarHBondContact O-CB 3.44Å; Q923-S1087 PolarHBondContact O-N 3.23Å |
| 924 | A | 82 | Confident | 86.2 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 5% | 0.05 | 14% | 0.143 | C | C | . | . | trans | -63.6 | 156.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y910 N926 Y930 | Y910-A924 HydrophobicContact CE1-CB 4.16Å; A924-N926 PolarHBondContact O-N 3.34Å; A924-Y930 HydrophobicContact CB-CD1 4.21Å; A924-Y930 HydrophobicContact CB-CD2 3.27Å; A924-Y930 HydrophobicContact CB-CE1 4.23Å; A924-Y930 HydrophobicContact CB-CE2 3.33Å; A924-Y930 HydrophobicContact CB-CG 3.73Å; A924-Y930 VanDerWaalsContact N-CE2 3.27Å | ||
| 925 | P | 82.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.032 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -55.8 | -30.8 | 174.4 | -17.5 | 22.2 | 0 | 0 | 0 | 113.8 | L929 G1086 W1091 A1094 | P925-L929 HydrophobicContact CB-CD1 3.88Å; P925-L929 HydrophobicContact CG-CD1 3.93Å; P925-G1086 VanDerWaalsContact CD-O 3.3Å; P925-G1086 WeakPolarHBondContact CD-O 3.48Å; P925-G1086 VanDerWaalsContact CG-O 3.22Å; P925-G1086 WeakPolarHBondContact CG-O 3.16Å; P925-W1091 HydrophobicContact CB-CB 4.06Å; P925-A1094 HydrophobicContact CB-CB 3.96Å; P925-A1094 HydrophobicContact CG-CB 3.49Å; P925-A1094 VanDerWaalsContact CG-CB 3.49Å |
| 926 | N | 85.2 | Confident | 86.5 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -154.1 | 141.7 | 176.7 | 176.4 | -49.1 | 0 | 0 | 0 | 107.8 | Y748 A924 A928 L929 W1091 | Y748-N926 WeakPolarHBondContact CD1-OD1 3Å; Y748-N926 PolarHBondContact O-ND2 3.05Å; A924-N926 PolarHBondContact O-N 3.34Å; N926-A928 PolarHBondContact O-N 3.15Å; N926-A928 VanDerWaalsContact OD1-CB 3.23Å; N926-A928 WeakPolarHBondContact OD1-CB 3.45Å; N926-A928 PolarHBondContact OD1-N 2.8Å; N926-L929 HydrophobicContact CB-CD1 4.27Å; N926-L929 HydrophobicContact CB-CG 4.48Å; N926-L929 WeakPolarHBondContact O-CB 3.42Å; N926-L929 PolarHBondContact O-N 3.27Å; N926-W1091 HydrophobicContact CB-CB 3.5Å; N926-W1091 VanDerWaalsContact CB-CB 3.5Å; N926-W1091 HydrophobicContact CB-CG 4.05Å |
| 927 | L | 81.9 | Confident | 86.8 | Confident | 67 Ų | 67 | 20 Ų | 20 | 35% | 0.351 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -56.9 | -33.8 | -178.4 | -67.3 | 171.1 | 0 | 0 | 0 | 113 | Y748 L929 Y930 L1035 H1039 | Y748-L927 HydrophobicContact CE1-CB 4.2Å; L927-L929 PolarHBondContact O-N 3.06Å; L927-Y930 WeakPolarHBondContact O-CB 3.48Å; L927-Y930 PolarHBondContact O-N 3.36Å; L927-L1035 HydrophobicContact CD1-CD1 3.83Å; L927-H1039 HydrophobicContact CB-CB 3.74Å |
| 928 | A | 87.8 | Confident | 87 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.7 | -24.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | N926 A932 H1039 L1042 G1043 M1046 | N926-A928 PolarHBondContact O-N 3.15Å; N926-A928 VanDerWaalsContact OD1-CB 3.23Å; N926-A928 WeakPolarHBondContact OD1-CB 3.45Å; N926-A928 PolarHBondContact OD1-N 2.8Å; A928-A932 WeakPolarHBondContact O-CB 3.35Å; A928-A932 PolarHBondContact O-N 2.83Å; A928-H1039 WeakPolarHBondContact CA-O 3.3Å; A928-H1039 WeakPolarHBondContact CB-O 3.41Å; A928-L1042 HydrophobicContact CB-CB 3.66Å; A928-L1042 HydrophobicContact CB-CD1 4.49Å; A928-G1043 WeakPolarHBondContact O-CA 3.47Å; A928-M1046 HydrophobicContact CB-CE 3.28Å |
| 929 | L | 88.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -75.1 | -26.2 | 175.8 | -75.5 | 168.9 | 0 | 0 | 0 | 112.7 | P925 N926 L927 I933 M1046 W1091 A1094 L1095 | P925-L929 HydrophobicContact CB-CD1 3.88Å; P925-L929 HydrophobicContact CG-CD1 3.93Å; N926-L929 HydrophobicContact CB-CD1 4.27Å; N926-L929 HydrophobicContact CB-CG 4.48Å; N926-L929 WeakPolarHBondContact O-CB 3.42Å; N926-L929 PolarHBondContact O-N 3.27Å; L927-L929 PolarHBondContact O-N 3.06Å; L929-I933 VanDerWaalsContact O-CG1 3.27Å; L929-I933 WeakPolarHBondContact O-CG1 3.3Å; L929-I933 PolarHBondContact O-N 2.64Å; L929-M1046 HydrophobicContact CD2-CE 4.41Å; L929-M1046 HydrophobicContact CD2-SD 3.99Å; L929-M1046 HydrophobicContact CG-CE 4.48Å; L929-W1091 HydrophobicContact CD1-CB 4.13Å; L929-A1094 HydrophobicContact CD1-CB 4.25Å; L929-L1095 HydrophobicContact CD2-CB 4.39Å; L929-L1095 HydrophobicContact CD2-CD1 4.02Å |
| 930 | Y | 84.8 | Confident | 87.5 | Confident | 26 Ų | 26 | 16.5 Ų | 16.5 | 10% | 0.102 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.7 | -55 | 168.9 | -92.2 | -58.6 | 0 | 0 | 0 | 109.6 | R907 Y910 Y914 A924 L927 A932 I933 E934 | R907-Y930 HydrophobicContact CG-CD1 4.24Å; R907-Y930 HydrophobicContact CG-CE1 4.08Å; Y910-Y930 AromaticContact CD1-CE1 3.98Å; Y910-Y930 HydrophobicContact CD1-CE1 3.98Å; Y910-Y930 AromaticContact CD2-CD1 3.52Å; Y910-Y930 HydrophobicContact CD2-CD1 3.52Å; Y910-Y930 AromaticContact CD2-CE1 3.45Å; Y910-Y930 HydrophobicContact CD2-CE1 3.45Å; Y910-Y930 VanDerWaalsContact CD2-CE1 3.45Å; Y910-Y930 HydrophobicContact CE1-CE1 4.45Å; Y910-Y930 AromaticContact CE2-CD1 3.71Å; Y910-Y930 HydrophobicContact CE2-CD1 3.71Å; Y910-Y930 AromaticContact CE2-CE1 3.97Å; Y910-Y930 HydrophobicContact CE2-CE1 3.97Å; Y910-Y930 HydrophobicContact CG-CD1 4.02Å; Y910-Y930 AromaticContact CG-CE1 3.43Å; Y910-Y930 HydrophobicContact CG-CE1 3.43Å; Y910-Y930 VanDerWaalsContact CG-CE1 3.43Å; Y914-Y930 WeakPolarHBondContact CE1-OH 3.38Å; Y914-Y930 PolarHBondContact OH-OH 3.37Å; Y914-Y930 VanDerWaalsContact OH-OH 3.04Å; A924-Y930 HydrophobicContact CB-CD1 4.21Å; A924-Y930 HydrophobicContact CB-CD2 3.27Å; A924-Y930 HydrophobicContact CB-CE1 4.23Å; A924-Y930 HydrophobicContact CB-CE2 3.33Å; A924-Y930 HydrophobicContact CB-CG 3.73Å; A924-Y930 VanDerWaalsContact N-CE2 3.27Å; L927-Y930 WeakPolarHBondContact O-CB 3.48Å; L927-Y930 PolarHBondContact O-N 3.36Å; Y930-A932 VanDerWaalsContact C-N 3.29Å; Y930-A932 PolarHBondContact O-N 3.21Å; Y930-I933 PolarHBondContact O-N 3.38Å; Y930-I933 VanDerWaalsContact O-N 3.16Å; Y930-E934 WeakPolarHBondContact O-CG 3.33Å; Y930-E934 PolarHBondContact O-N 3.49Å; Y930-E934 VanDerWaalsContact O-N 3.07Å |
| 931 | E | 87.4 | Confident | 87.7 | Confident | 45 Ų | 45 | 16.6 Ų | 16.6 | 21% | 0.21 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.6 | -36.4 | 179.5 | -74.7 | -55.6 | 159.2 | 0 | 0 | 113 | R907 I933 E934 G935 | R907-E931 IonicContact NH2-OE1 3.91Å; R907-E931 PolarHBondContact NH2-OE1 3.11Å; E931-I933 VanDerWaalsContact C-N 3.32Å; E931-I933 PolarHBondContact O-N 2.82Å; E931-E934 PolarHBondContact O-N 3.04Å; E931-G935 PolarHBondContact O-N 3.48Å |
| 932 | A | 93 | Very high | 87.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A928 Y930 F936 G1043 M1046 Q1047 I1050 | A928-A932 WeakPolarHBondContact O-CB 3.35Å; A928-A932 PolarHBondContact O-N 2.83Å; Y930-A932 VanDerWaalsContact C-N 3.29Å; Y930-A932 PolarHBondContact O-N 3.21Å; A932-F936 WeakPolarHBondContact O-CB 3.4Å; A932-F936 PolarHBondContact O-N 3.15Å; A932-G1043 WeakPolarHBondContact CA-O 3.42Å; A932-M1046 HydrophobicContact CB-CB 3.63Å; A932-Q1047 WeakPolarHBondContact O-CA 3.32Å; A932-Q1047 VanDerWaalsContact O-CB 3.26Å; A932-Q1047 WeakPolarHBondContact O-CB 3.09Å; A932-I1050 HydrophobicContact CB-CD1 3.8Å |
| 933 | I | 92.1 | Very high | 86.9 | Confident | 7 Ų | 7 | 14.4 Ų | 14.4 | 4% | 0.036 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75 | -40.7 | 179.7 | -65 | -68.9 | 0 | 0 | 0 | 111 | A906 Y910 L929 Y930 E931 F936 V937 I1050 L1079 M1082 | A906-I933 HydrophobicContact CB-CG2 4.47Å; Y910-I933 HydrophobicContact CE2-CB 4.13Å; Y910-I933 HydrophobicContact CE2-CG1 3.97Å; Y910-I933 HydrophobicContact CE2-CG2 4.32Å; L929-I933 VanDerWaalsContact O-CG1 3.27Å; L929-I933 WeakPolarHBondContact O-CG1 3.3Å; L929-I933 PolarHBondContact O-N 2.64Å; Y930-I933 PolarHBondContact O-N 3.38Å; Y930-I933 VanDerWaalsContact O-N 3.16Å; E931-I933 VanDerWaalsContact C-N 3.32Å; E931-I933 PolarHBondContact O-N 2.82Å; I933-F936 WeakPolarHBondContact O-CB 3.38Å; I933-F936 PolarHBondContact O-N 3.34Å; I933-V937 WeakPolarHBondContact O-CG2 3.48Å; I933-V937 PolarHBondContact O-N 2.93Å; I933-I1050 HydrophobicContact CD1-CD1 3.87Å; I933-L1079 HydrophobicContact CD1-CD2 3.66Å; I933-M1082 HydrophobicContact CD1-CE 3.61Å; I933-M1082 HydrophobicContact CG1-CE 3.88Å |
| 934 | E | 90.8 | Very high | 86.2 | Confident | 12 Ų | 12 | 12 Ų | 12 | 6% | 0.056 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61 | -47.3 | 173.7 | -72.7 | 177.6 | -143.5 | 0 | 0 | 111.6 | K903 A906 R907 Y930 E931 V937 A938 | K903-E934 HydrophobicContact CB-CB 3.94Å; K903-E934 HydrophobicContact CB-CG 4.09Å; K903-E934 HydrophobicContact CD-CB 4.28Å; K903-E934 HydrophobicContact CG-CB 3.92Å; A906-E934 HydrophobicContact CB-CG 4.25Å; R907-E934 IonicContact CZ-OE1 2.87Å; R907-E934 IonicContact NE-OE1 2.78Å; R907-E934 PolarHBondContact NE-OE1 2.94Å; R907-E934 IonicContact NH2-OE1 3.96Å; R907-E934 PolarHBondContact NH2-OE1 2.77Å; R907-E934 IonicContact NH2-OE2 3.1Å; R907-E934 PolarHBondContact NH2-OE2 3.38Å; Y930-E934 WeakPolarHBondContact O-CG 3.33Å; Y930-E934 PolarHBondContact O-N 3.49Å; Y930-E934 VanDerWaalsContact O-N 3.07Å; E931-E934 PolarHBondContact O-N 3.04Å; E934-V937 PolarHBondContact O-N 3.27Å; E934-A938 PolarHBondContact O-N 3.47Å |
| 935 | G | 90.5 | Very high | 85.4 | Confident | 4 Ų | 4 | 16.2 Ų | 16.2 | 4% | 0.041 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | E931 V937 A938 L939 Q1047 | E931-G935 PolarHBondContact O-N 3.48Å; G935-V937 PolarHBondContact O-N 3.45Å; G935-A938 PolarHBondContact O-N 3.19Å; G935-L939 WeakPolarHBondContact O-CG 3.48Å; G935-L939 PolarHBondContact O-N 3.49Å; G935-Q1047 VanDerWaalsContact CA-OE1 3.29Å |
| 936 | F | 93.6 | Very high | 84.7 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 175 | 160.1 | -96.7 | 0 | 0 | 0 | 111.6 | A932 I933 A938 L939 V940 I1050 F1051 M1054 L1069 V1075 L1079 | A932-F936 WeakPolarHBondContact O-CB 3.4Å; A932-F936 PolarHBondContact O-N 3.15Å; I933-F936 WeakPolarHBondContact O-CB 3.38Å; I933-F936 PolarHBondContact O-N 3.34Å; F936-A938 VanDerWaalsContact C-N 3.32Å; F936-A938 PolarHBondContact O-N 2.83Å; F936-L939 WeakPolarHBondContact O-CB 3.22Å; F936-L939 PolarHBondContact O-N 3.08Å; F936-V940 HydrophobicContact CD2-CG2 4.33Å; F936-V940 HydrophobicContact CE1-CG2 4.23Å; F936-V940 HydrophobicContact CE2-CG2 3.82Å; F936-V940 HydrophobicContact CZ-CG2 3.76Å; F936-V940 WeakPolarHBondContact O-CG2 3.17Å; F936-V940 PolarHBondContact O-N 3.48Å; F936-V940 VanDerWaalsContact O-N 3.08Å; F936-I1050 HydrophobicContact CB-CG2 4.28Å; F936-I1050 HydrophobicContact CD2-CB 4.45Å; F936-I1050 HydrophobicContact CD2-CG2 3.79Å; F936-I1050 HydrophobicContact CE2-CG2 4.28Å; F936-I1050 HydrophobicContact CG-CG2 3.93Å; F936-F1051 HydrophobicContact CD2-CB 4Å; F936-F1051 AromaticContact CD2-CD2 3.91Å; F936-F1051 HydrophobicContact CD2-CD2 3.91Å; F936-F1051 HydrophobicContact CD2-CG 4.45Å; F936-F1051 HydrophobicContact CE2-CB 4.49Å; F936-F1051 HydrophobicContact CE2-CD2 4Å; F936-M1054 HydrophobicContact CE2-CB 3.95Å; F936-M1054 HydrophobicContact CE2-CG 3.86Å; F936-M1054 HydrophobicContact CZ-CB 4.29Å; F936-M1054 HydrophobicContact CZ-CG 4.03Å; F936-L1069 HydrophobicContact CE2-CD1 3.54Å; F936-L1069 HydrophobicContact CZ-CD1 3.75Å; F936-V1075 HydrophobicContact CZ-CG1 4.02Å; F936-L1079 HydrophobicContact CE1-CD1 3.7Å; F936-L1079 HydrophobicContact CE1-CD2 4.4Å; F936-L1079 HydrophobicContact CZ-CD1 4.33Å |
| 937 | V | 91.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 177 | 168 | 0 | 0 | 0 | 0 | 110.8 | F844 F845 H902 A906 I933 E934 G935 L939 V940 V941 | F844-V937 HydrophobicContact CE1-CG1 3.83Å; F844-V937 HydrophobicContact CZ-CG1 4.47Å; F845-V937 HydrophobicContact CE1-CG2 3.97Å; F845-V937 HydrophobicContact CZ-CG1 3.96Å; F845-V937 HydrophobicContact CZ-CG2 3.93Å; H902-V937 HydrophobicContact CB-CG1 4.2Å; A906-V937 HydrophobicContact CB-CB 4.36Å; A906-V937 HydrophobicContact CB-CG2 3.9Å; I933-V937 WeakPolarHBondContact O-CG2 3.48Å; I933-V937 PolarHBondContact O-N 2.93Å; E934-V937 PolarHBondContact O-N 3.27Å; G935-V937 PolarHBondContact O-N 3.45Å; V937-L939 VanDerWaalsContact C-N 3.3Å; V937-L939 PolarHBondContact O-N 3.01Å; V937-V940 PolarHBondContact O-N 3.29Å; V937-V941 HydrophobicContact CG1-CG2 4.13Å; V937-V941 WeakPolarHBondContact O-CB 3.41Å; V937-V941 VanDerWaalsContact O-CG2 3.27Å; V937-V941 WeakPolarHBondContact O-CG2 3.2Å; V937-V941 PolarHBondContact O-N 3.46Å |
| 938 | A | 89.4 | Confident | 83 | Confident | 12 Ų | 12 | 14.3 Ų | 14.3 | 10% | 0.099 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L899 K903 E934 G935 F936 S942 | L899-A938 HydrophobicContact CD2-CB 4.42Å; K903-A938 HydrophobicContact CG-CB 4.42Å; E934-A938 PolarHBondContact O-N 3.47Å; G935-A938 PolarHBondContact O-N 3.19Å; F936-A938 VanDerWaalsContact C-N 3.32Å; F936-A938 PolarHBondContact O-N 2.83Å; A938-S942 VanDerWaalsContact O-CB 3.22Å; A938-S942 WeakPolarHBondContact O-CB 3.14Å; A938-S942 PolarHBondContact O-N 3.34Å; A938-S942 PolarHBondContact O-OG 3.25Å |
| 939 | L | 89.8 | Confident | 81.7 | Confident | 11 Ų | 11 | 18.6 Ų | 18.6 | 6% | 0.058 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 173.9 | -69.2 | 174.1 | 0 | 0 | 0 | 111.8 | G935 F936 V937 V941 S942 S943 Q1047 F1048 F1051 Y1112 | G935-L939 WeakPolarHBondContact O-CG 3.48Å; G935-L939 PolarHBondContact O-N 3.49Å; F936-L939 WeakPolarHBondContact O-CB 3.22Å; F936-L939 PolarHBondContact O-N 3.08Å; V937-L939 VanDerWaalsContact C-N 3.3Å; V937-L939 PolarHBondContact O-N 3.01Å; L939-V941 PolarHBondContact O-N 2.93Å; L939-S942 PolarHBondContact O-N 3.19Å; L939-S943 PolarHBondContact O-N 3.19Å; L939-Q1047 HydrophobicContact CD1-CG 4.1Å; L939-F1048 HydrophobicContact CD1-CD1 3.89Å; L939-F1048 HydrophobicContact CD1-CE1 3.79Å; L939-F1048 HydrophobicContact CD1-CG 4.46Å; L939-F1048 HydrophobicContact CD1-CZ 4.26Å; L939-F1048 HydrophobicContact CD2-CE1 4.01Å; L939-F1048 HydrophobicContact CD2-CZ 4.3Å; L939-F1051 HydrophobicContact CB-CD2 3.84Å; L939-F1051 HydrophobicContact CB-CE2 3.92Å; L939-F1051 HydrophobicContact CD1-CB 4.18Å; L939-F1051 HydrophobicContact CD1-CD2 4.28Å; L939-F1051 HydrophobicContact CD1-CG 4.19Å; L939-Y1112 HydrophobicContact CD2-CE2 4.24Å |
| 940 | V | 89.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 179.5 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | F844 F936 V937 S942 S943 S946 F1051 L1069 | F844-V940 HydrophobicContact CE2-CG1 3.65Å; F844-V940 HydrophobicContact CZ-CB 4.19Å; F844-V940 HydrophobicContact CZ-CG1 3.73Å; F936-V940 HydrophobicContact CD2-CG2 4.33Å; F936-V940 HydrophobicContact CE1-CG2 4.23Å; F936-V940 HydrophobicContact CE2-CG2 3.82Å; F936-V940 HydrophobicContact CZ-CG2 3.76Å; F936-V940 WeakPolarHBondContact O-CG2 3.17Å; F936-V940 PolarHBondContact O-N 3.48Å; F936-V940 VanDerWaalsContact O-N 3.08Å; V937-V940 PolarHBondContact O-N 3.29Å; V940-S942 VanDerWaalsContact C-N 3.31Å; V940-S942 PolarHBondContact O-N 3.25Å; V940-S943 PolarHBondContact O-N 3.41Å; V940-S943 PolarHBondContact O-OG 2.89Å; V940-S946 WeakPolarHBondContact O-CB 3.42Å; V940-S946 PolarHBondContact O-OG 2.91Å; V940-F1051 HydrophobicContact CG2-CD2 4.04Å; V940-F1051 HydrophobicContact CG2-CE2 3.77Å; V940-L1069 HydrophobicContact CG1-CB 3.97Å; V940-L1069 HydrophobicContact CG2-CB 4.07Å; V940-L1069 HydrophobicContact CG2-CD1 3.83Å; V940-L1069 HydrophobicContact CG2-CG 4.32Å |
| 941 | V | 86.2 | Confident | 79.2 | Confident | 10 Ų | 10 | 22.2 Ų | 22.2 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.1 | -32.2 | -179.6 | 172 | 0 | 0 | 0 | 0 | 111.6 | F844 F898 L899 H902 V937 L939 S943 S946 | F844-V941 HydrophobicContact CD1-CG2 4.41Å; F844-V941 HydrophobicContact CD2-CG2 4.39Å; F844-V941 HydrophobicContact CE1-CG2 4.2Å; F844-V941 HydrophobicContact CE2-CG2 4.18Å; F844-V941 HydrophobicContact CG-CG2 4.49Å; F844-V941 HydrophobicContact CZ-CG2 4.07Å; F898-V941 HydrophobicContact CD1-CG1 4.28Å; F898-V941 HydrophobicContact CE1-CG1 3.5Å; F898-V941 HydrophobicContact CZ-CG1 4.39Å; L899-V941 HydrophobicContact CD2-CG1 4.33Å; H902-V941 HydrophobicContact CB-CG2 4.48Å; V937-V941 HydrophobicContact CG1-CG2 4.13Å; V937-V941 WeakPolarHBondContact O-CB 3.41Å; V937-V941 VanDerWaalsContact O-CG2 3.27Å; V937-V941 WeakPolarHBondContact O-CG2 3.2Å; V937-V941 PolarHBondContact O-N 3.46Å; L939-V941 PolarHBondContact O-N 2.93Å; V941-S943 VanDerWaalsContact C-N 3.34Å; V941-S946 WeakPolarHBondContact O-CB 3.37Å |
| 942 | S | 81.1 | Confident | 78.1 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -81.1 | -7.1 | -179.6 | -61.2 | 0 | 0 | 0 | 0 | 114.6 | A938 L939 V940 | A938-S942 VanDerWaalsContact O-CB 3.22Å; A938-S942 WeakPolarHBondContact O-CB 3.14Å; A938-S942 PolarHBondContact O-N 3.34Å; A938-S942 PolarHBondContact O-OG 3.25Å; L939-S942 PolarHBondContact O-N 3.19Å; V940-S942 VanDerWaalsContact C-N 3.31Å; V940-S942 PolarHBondContact O-N 3.25Å |
| 943 | S | 76.6 | Confident | 76.5 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -62.7 | 147.1 | 178.3 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | L939 V940 V941 D945 S946 L947 | L939-S943 PolarHBondContact O-N 3.19Å; V940-S943 PolarHBondContact O-N 3.41Å; V940-S943 PolarHBondContact O-OG 2.89Å; V941-S943 VanDerWaalsContact C-N 3.34Å; S943-D945 VanDerWaalsContact C-N 3.26Å; S943-D945 PolarHBondContact O-N 3.07Å; S943-S946 PolarHBondContact O-N 2.69Å; S943-S946 VanDerWaalsContact OG-CB 3.25Å; S943-S946 WeakPolarHBondContact OG-CB 3.27Å; S943-S946 PolarHBondContact OG-N 3.39Å; S943-S946 PolarHBondContact OG-OG 3.09Å; S943-S946 VanDerWaalsContact OG-OG 3.05Å; S943-L947 WeakPolarHBondContact O-CG 3.46Å; S943-L947 PolarHBondContact O-N 3.12Å |
| 944 | S | 66.8 | Low | 74.5 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.7 | -37.9 | -176.4 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | L947 G948 | S944-L947 PolarHBondContact O-N 3.29Å; S944-G948 PolarHBondContact O-N 3.48Å |
| 945 | D | 66.3 | Low | 72.6 | Confident | 93 Ų | 93 | 31.6 Ų | 31.6 | 50% | 0.497 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.3 | -39.1 | 178.7 | -72.3 | -9.6 | 0 | 0 | 0 | 112.7 | S943 L947 G948 T949 N1068 | S943-D945 VanDerWaalsContact C-N 3.26Å; S943-D945 PolarHBondContact O-N 3.07Å; D945-L947 VanDerWaalsContact C-N 3.29Å; D945-L947 PolarHBondContact O-N 2.97Å; D945-G948 PolarHBondContact O-N 3.38Å; D945-T949 PolarHBondContact O-N 2.99Å; D945-T949 PolarHBondContact O-OG1 3.11Å; D945-N1068 HydrophobicContact CB-CB 4.16Å; D945-N1068 VanDerWaalsContact CB-ND2 3.33Å; D945-N1068 WeakPolarHBondContact CB-ND2 3.4Å |
| 946 | S | 66.7 | Low | 70.5 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 173.8 | -78.7 | 0 | 0 | 0 | 0 | 111.7 | V940 V941 S943 T949 A950 | V940-S946 WeakPolarHBondContact O-CB 3.42Å; V940-S946 PolarHBondContact O-OG 2.91Å; V941-S946 WeakPolarHBondContact O-CB 3.37Å; S943-S946 PolarHBondContact O-N 2.69Å; S943-S946 VanDerWaalsContact OG-CB 3.25Å; S943-S946 WeakPolarHBondContact OG-CB 3.27Å; S943-S946 PolarHBondContact OG-N 3.39Å; S943-S946 PolarHBondContact OG-OG 3.09Å; S943-S946 VanDerWaalsContact OG-OG 3.05Å; S946-T949 WeakPolarHBondContact CA-OG1 3.37Å; S946-T949 PolarHBondContact O-OG1 3.41Å; S946-A950 WeakPolarHBondContact O-CB 3.43Å; S946-A950 PolarHBondContact O-N 3.33Å; S946-A950 VanDerWaalsContact O-N 3.09Å |
| 947 | L | 68 | Low | 68.2 | Low | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | 175.6 | -69.1 | 172.8 | 0 | 0 | 0 | 112.1 | W895 S943 S944 D945 A950 C951 L952 T953 | W895-L947 HydrophobicContact CH2-CD2 3.57Å; W895-L947 HydrophobicContact CZ3-CD2 3.9Å; S943-L947 WeakPolarHBondContact O-CG 3.46Å; S943-L947 PolarHBondContact O-N 3.12Å; S944-L947 PolarHBondContact O-N 3.29Å; D945-L947 VanDerWaalsContact C-N 3.29Å; D945-L947 PolarHBondContact O-N 2.97Å; L947-A950 PolarHBondContact O-N 3.09Å; L947-C951 PolarHBondContact O-N 2.88Å; L947-L952 HydrophobicContact CD2-CB 4.11Å; L947-L952 HydrophobicContact CD2-CD1 3.9Å; L947-L952 PolarHBondContact O-N 3.45Å; L947-T953 HydrophobicContact CB-CG2 3.75Å; L947-T953 HydrophobicContact CD1-CG2 4.16Å; L947-T953 PolarHBondContact O-N 3.46Å |
| 948 | G | 63.1 | Low | 66.3 | Low | 34 Ų | 34 | 53.6 Ų | 53.6 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S944 D945 A950 C951 T953 | S944-G948 PolarHBondContact O-N 3.48Å; D945-G948 PolarHBondContact O-N 3.38Å; G948-A950 VanDerWaalsContact C-N 3.34Å; G948-A950 PolarHBondContact O-N 3.16Å; G948-C951 PolarHBondContact O-N 3.47Å; G948-C951 VanDerWaalsContact O-N 3.08Å; G948-T953 WeakPolarHBondContact CA-OG1 3.46Å; G948-T953 PolarHBondContact N-OG1 2.94Å |
| 949 | T | 60.4 | Low | 64.9 | Low | 90 Ų | 90 | 56.3 Ų | 56.3 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.9 | -30.3 | 175.9 | 35.1 | 0 | 0 | 0 | 0 | 113.4 | D945 S946 C951 | D945-T949 PolarHBondContact O-N 2.99Å; D945-T949 PolarHBondContact O-OG1 3.11Å; S946-T949 WeakPolarHBondContact CA-OG1 3.37Å; S946-T949 PolarHBondContact O-OG1 3.41Å; T949-C951 PolarHBondContact O-N 3.3Å |
| 950 | A | 61.8 | Low | 64.1 | Low | 16 Ų | 16 | 57.4 Ų | 57.4 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 3.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S946 L947 G948 L952 | S946-A950 WeakPolarHBondContact O-CB 3.43Å; S946-A950 PolarHBondContact O-N 3.33Å; S946-A950 VanDerWaalsContact O-N 3.09Å; L947-A950 PolarHBondContact O-N 3.09Å; G948-A950 VanDerWaalsContact C-N 3.34Å; G948-A950 PolarHBondContact O-N 3.16Å; A950-L952 HydrophobicContact CB-CD1 3.97Å; A950-L952 HydrophobicContact CB-CG 3.9Å; A950-L952 PolarHBondContact O-N 3.37Å |
| 951 | C | 58.6 | Low | 63.9 | Low | 86 Ų | 86 | 59.5 Ų | 59.5 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 19.5 | -173.4 | -58.9 | 0 | 0 | 0 | 0 | 114.6 | L947 G948 T949 | L947-C951 PolarHBondContact O-N 2.88Å; G948-C951 PolarHBondContact O-N 3.47Å; G948-C951 VanDerWaalsContact O-N 3.08Å; T949-C951 PolarHBondContact O-N 3.3Å |
| 952 | L | 64.1 | Low | 63.8 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83.5 | -13.2 | 179.6 | -62.8 | 176.7 | 0 | 0 | 0 | 112.8 | T826 L827 L830 Y832 W895 F898 L947 A950 | T826-L952 HydrophobicContact CG2-CD2 4.28Å; T826-L952 WeakPolarHBondContact CG2-O 3.22Å; L827-L952 HydrophobicContact CD2-CD1 4.44Å; L827-L952 HydrophobicContact CD2-CD2 3.66Å; L827-L952 HydrophobicContact CG-CD2 4.31Å; L830-L952 HydrophobicContact CD1-CD2 4.1Å; Y832-L952 HydrophobicContact CE2-CD2 4.4Å; W895-L952 HydrophobicContact CZ3-CD1 4.24Å; F898-L952 HydrophobicContact CE1-CD1 4.42Å; F898-L952 HydrophobicContact CE2-CD1 4.26Å; F898-L952 HydrophobicContact CZ-CD1 3.91Å; L947-L952 HydrophobicContact CD2-CB 4.11Å; L947-L952 HydrophobicContact CD2-CD1 3.9Å; L947-L952 PolarHBondContact O-N 3.45Å; A950-L952 HydrophobicContact CB-CD1 3.97Å; A950-L952 HydrophobicContact CB-CG 3.9Å; A950-L952 PolarHBondContact O-N 3.37Å |
| 953 | T | 61 | Low | 63.9 | Low | 15 Ų | 15 | 60 Ų | 60 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | trans | -137.1 | 138.1 | 174.9 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | V821 L947 G948 V958 | V821-T953 HydrophobicContact CB-CG2 4.38Å; V821-T953 HydrophobicContact CG1-CG2 4.01Å; V821-T953 HydrophobicContact CG2-CG2 4.09Å; L947-T953 HydrophobicContact CB-CG2 3.75Å; L947-T953 HydrophobicContact CD1-CG2 4.16Å; L947-T953 PolarHBondContact O-N 3.46Å; G948-T953 WeakPolarHBondContact CA-OG1 3.46Å; G948-T953 PolarHBondContact N-OG1 2.94Å; T953-V958 HydrophobicContact CG2-CG2 4.22Å | ||
| 954 | K | 50 | Low | 64.5 | Low | 195 Ų | 195 | 59.8 Ų | 59.8 | 85% | 0.848 | 32% | 0.315 | S | S | * | . | trans | -90.1 | -14.3 | 168.2 | -76.1 | -172 | 177.7 | -178.3 | 0 | 112.9 | K956 | K954-K956 PolarHBondContact O-N 3.47Š| ||
| 955 | A | 49.7 | Very low | 65.7 | Low | 48 Ų | 48 | 58.5 Ų | 58.5 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | trans | -78.1 | 120.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R957 | A955-R957 PolarHBondContact O-N 3.31Š| ||
| 956 | K | 46.2 | Very low | 66.6 | Low | 213 Ų | 213 | 57.2 Ų | 57.2 | 93% | 0.926 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -65.6 | -12.6 | 175.3 | -79.4 | -174.9 | 174.3 | -179 | 0 | 114.1 | K954 | K954-K956 PolarHBondContact O-N 3.47Š|
| 957 | R | 46.5 | Very low | 67.8 | Low | 227 Ų | 227 | 58.5 Ų | 58.5 | 86% | 0.857 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -147 | 104.9 | 167.7 | -87.1 | -177.2 | 174.9 | 179.2 | -3 | 106.5 | A955 D959 | A955-R957 PolarHBondContact O-N 3.31Å; R957-D959 PolarHBondContact O-N 2.94Å |
| 958 | V | 50.8 | Low | 69 | Low | 29 Ų | 29 | 58.4 Ų | 58.4 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | trans | -62.8 | 129.8 | 157.8 | 176 | 0 | 0 | 0 | 0 | 105.3 | T953 S960 | T953-V958 HydrophobicContact CG2-CG2 4.22Å; V958-S960 PolarHBondContact O-N 3.18Å | ||
| 959 | D | 60 | Low | 70.5 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | trans | -60.9 | 113.1 | 176.6 | -161.3 | -9.2 | 0 | 0 | 0 | 108.6 | C818 R957 L961 N962 | C818-D959 PolarHBondContact SG-OD2 3.35Å; C818-D959 VanDerWaalsContact SG-OD2 3.35Å; R957-D959 PolarHBondContact O-N 2.94Å; D959-L961 PolarHBondContact O-N 3.1Å; D959-N962 PolarHBondContact O-N 3.33Å | ||
| 960 | S | 72.8 | Confident | 71.9 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -28.9 | -165.8 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | V958 L963 L964 H1065 | V958-S960 PolarHBondContact O-N 3.18Å; S960-L963 PolarHBondContact O-N 3.37Å; S960-L964 WeakPolarHBondContact O-CB 3.48Å; S960-L964 WeakPolarHBondContact O-CG 3.48Å; S960-L964 PolarHBondContact O-N 3.43Å; S960-H1065 WeakPolarHBondContact CB-NE2 3.37Å |
| 961 | L | 85.2 | Confident | 73.4 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | -178.5 | -74.8 | 173.8 | 0 | 0 | 0 | 113.1 | P814 D959 L963 L964 M965 P1115 F1119 | P814-L961 HydrophobicContact CB-CB 4.01Å; P814-L961 HydrophobicContact CG-CB 4.2Å; D959-L961 PolarHBondContact O-N 3.1Å; L961-L963 VanDerWaalsContact C-N 3.3Å; L961-L963 PolarHBondContact O-N 2.64Å; L961-L964 PolarHBondContact O-N 2.87Å; L961-M965 WeakPolarHBondContact O-CB 3.42Å; L961-M965 PolarHBondContact O-N 3.12Å; L961-P1115 HydrophobicContact CD2-CB 4.18Å; L961-F1119 HydrophobicContact CD2-CB 4.17Å |
| 962 | N | 85.1 | Confident | 75.2 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 177.2 | -86.4 | 6.3 | 0 | 0 | 0 | 111 | F809 P814 C815 D959 M965 M966 | F809-N962 HydrophobicContact CE2-CB 4.28Å; F809-N962 VanDerWaalsContact CE2-O 3.31Å; F809-N962 WeakPolarHBondContact CE2-O 3.14Å; F809-N962 HydrophobicContact CZ-CB 3.93Å; P814-N962 WeakPolarHBondContact CD-OD1 3.49Å; C815-N962 PolarHBondContact N-OD1 3.19Å; C815-N962 PolarHBondContact O-ND2 3.34Å; D959-N962 PolarHBondContact O-N 3.33Å; N962-M965 PolarHBondContact O-N 3.04Å; N962-M966 WeakPolarHBondContact O-CG 3.48Å; N962-M966 PolarHBondContact O-N 3.22Å; N962-M966 VanDerWaalsContact O-N 3.08Å |
| 963 | L | 81.5 | Confident | 76.7 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 175 | 176.6 | 57 | 0 | 0 | 0 | 112.2 | S960 L961 M965 M966 Q967 | S960-L963 PolarHBondContact O-N 3.37Å; L961-L963 VanDerWaalsContact C-N 3.3Å; L961-L963 PolarHBondContact O-N 2.64Å; L963-M965 VanDerWaalsContact C-N 3.3Å; L963-M965 PolarHBondContact O-N 2.84Å; L963-M966 PolarHBondContact O-N 3.17Å; L963-Q967 HydrophobicContact CD1-CG 4.37Å; L963-Q967 WeakPolarHBondContact O-CG 3.14Å; L963-Q967 PolarHBondContact O-N 2.99Å |
| 964 | L | 89.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 177.3 | -70.3 | 174 | 0 | 0 | 0 | 111.1 | S960 L961 Q967 A968 H1065 Y1112 F1113 P1115 L1116 | S960-L964 WeakPolarHBondContact O-CB 3.48Å; S960-L964 WeakPolarHBondContact O-CG 3.48Å; S960-L964 PolarHBondContact O-N 3.43Å; L961-L964 PolarHBondContact O-N 2.87Å; L964-Q967 PolarHBondContact O-N 2.75Å; L964-A968 WeakPolarHBondContact O-CB 3.46Å; L964-A968 PolarHBondContact O-N 3.31Å; L964-H1065 HydrophobicContact CD2-CB 3.85Å; L964-Y1112 HydrophobicContact CD2-CD1 3.94Å; L964-Y1112 HydrophobicContact CD2-CE1 3.51Å; L964-F1113 HydrophobicContact CB-CD1 4.22Å; L964-F1113 HydrophobicContact CB-CE1 4.44Å; L964-F1113 HydrophobicContact CD2-CD1 3.89Å; L964-F1113 HydrophobicContact CD2-CE1 4.07Å; L964-F1113 WeakPolarHBondContact O-CE1 3.37Å; L964-P1115 HydrophobicContact CD1-CB 4.18Å; L964-P1115 HydrophobicContact CD1-CG 4.15Å; L964-L1116 HydrophobicContact CB-CB 3.99Å; L964-L1116 HydrophobicContact CB-CD2 4.18Å; L964-L1116 HydrophobicContact CD1-CB 4.29Å |
| 965 | M | 91.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 176.8 | -177.2 | 65.6 | 78.6 | 0 | 0 | 111.5 | L771 F774 F809 T812 P814 L961 N962 L963 Q967 A968 L969 L1116 F1119 L1120 | L771-M965 HydrophobicContact CD1-SD 3.83Å; F774-M965 HydrophobicContact CD1-CE 3.91Å; F774-M965 HydrophobicContact CE1-CE 3.5Å; F774-M965 VanDerWaalsContact CE1-CE 3.5Å; F774-M965 HydrophobicContact CZ-CE 4.27Å; F809-M965 HydrophobicContact CD2-CG 4.2Å; F809-M965 HydrophobicContact CE2-CB 4.28Å; F809-M965 HydrophobicContact CE2-CG 4.37Å; T812-M965 WeakPolarHBondContact O-CE 3.32Å; P814-M965 HydrophobicContact CG-CB 4.01Å; P814-M965 HydrophobicContact CG-CE 3.74Å; P814-M965 HydrophobicContact CG-CG 4.4Å; L961-M965 WeakPolarHBondContact O-CB 3.42Å; L961-M965 PolarHBondContact O-N 3.12Å; N962-M965 PolarHBondContact O-N 3.04Å; L963-M965 VanDerWaalsContact C-N 3.3Å; L963-M965 PolarHBondContact O-N 2.84Å; M965-Q967 VanDerWaalsContact C-N 3.31Å; M965-Q967 PolarHBondContact O-N 2.86Å; M965-A968 PolarHBondContact O-N 3.01Å; M965-L969 HydrophobicContact CG-CD1 3.9Å; M965-L969 HydrophobicContact CG-CG 4.32Å; M965-L969 VanDerWaalsContact O-CG 3.3Å; M965-L969 WeakPolarHBondContact O-CG 3.47Å; M965-L969 PolarHBondContact O-N 3.03Å; M965-L969 HydrophobicContact SD-CD1 4.32Å; M965-L969 HydrophobicContact SD-CG 4.22Å; M965-L1116 HydrophobicContact CB-CD1 4.3Å; M965-L1116 HydrophobicContact CE-CD1 3.64Å; M965-L1116 HydrophobicContact SD-CD1 4.23Å; M965-F1119 HydrophobicContact CE-CE1 4.13Å; M965-L1120 HydrophobicContact CE-CD2 4.07Å |
| 966 | M | 86.9 | Confident | 82.3 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 32% | 0.32 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 176.1 | -70.6 | -177.8 | 73.9 | 0 | 0 | 111.7 | F809 N962 L963 A968 L969 E970 | F809-M966 HydrophobicContact CB-CG 4.43Å; F809-M966 HydrophobicContact CD1-CE 4.39Å; F809-M966 HydrophobicContact CD1-CG 3.77Å; F809-M966 HydrophobicContact CD1-SD 3.95Å; F809-M966 HydrophobicContact CD2-CB 4.41Å; F809-M966 HydrophobicContact CD2-CG 3.32Å; F809-M966 HydrophobicContact CD2-SD 4.48Å; F809-M966 HydrophobicContact CE1-CG 3.74Å; F809-M966 HydrophobicContact CE1-SD 3.63Å; F809-M966 HydrophobicContact CE2-CG 3.33Å; F809-M966 HydrophobicContact CE2-SD 4.23Å; F809-M966 HydrophobicContact CG-CG 3.55Å; F809-M966 HydrophobicContact CG-SD 4.36Å; F809-M966 HydrophobicContact CZ-CG 3.55Å; F809-M966 HydrophobicContact CZ-SD 3.79Å; N962-M966 WeakPolarHBondContact O-CG 3.48Å; N962-M966 PolarHBondContact O-N 3.22Å; N962-M966 VanDerWaalsContact O-N 3.08Å; L963-M966 PolarHBondContact O-N 3.17Å; M966-A968 PolarHBondContact O-N 2.98Å; M966-L969 PolarHBondContact O-N 3.32Å; M966-E970 PolarHBondContact O-N 3.3Å |
| 967 | Q | 90 | Very high | 84.4 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 178.6 | -70.5 | -179.9 | -42.6 | 0 | 0 | 111.9 | L963 L964 M965 E970 L971 Y1112 F1113 | L963-Q967 HydrophobicContact CD1-CG 4.37Å; L963-Q967 WeakPolarHBondContact O-CG 3.14Å; L963-Q967 PolarHBondContact O-N 2.99Å; L964-Q967 PolarHBondContact O-N 2.75Å; M965-Q967 VanDerWaalsContact C-N 3.31Å; M965-Q967 PolarHBondContact O-N 2.86Å; Q967-E970 PolarHBondContact O-N 3.08Å; Q967-L971 WeakPolarHBondContact O-CB 3.45Å; Q967-L971 PolarHBondContact O-N 3.22Å; Q967-Y1112 PolarHBondContact NE2-OH 3.39Å; Q967-Y1112 PolarHBondContact OE1-OH 2.74Å; Q967-F1113 HydrophobicContact CB-CE1 3.86Å; Q967-F1113 HydrophobicContact CB-CZ 3.89Å |
| 968 | A | 93.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.7 | -39.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F767 L771 L964 M965 M966 E970 L971 L972 F1113 L1116 | F767-A968 HydrophobicContact CZ-CB 4.14Å; L771-A968 HydrophobicContact CD2-CB 4.32Å; L964-A968 WeakPolarHBondContact O-CB 3.46Å; L964-A968 PolarHBondContact O-N 3.31Å; M965-A968 PolarHBondContact O-N 3.01Å; M966-A968 PolarHBondContact O-N 2.98Å; A968-E970 PolarHBondContact O-N 3.42Å; A968-L971 PolarHBondContact O-N 3.4Å; A968-L972 WeakPolarHBondContact O-CB 3.4Å; A968-L972 PolarHBondContact O-N 3.22Å; A968-L972 VanDerWaalsContact O-N 3.09Å; A968-F1113 HydrophobicContact CB-CD1 4.31Å; A968-F1113 HydrophobicContact CB-CE1 4.01Å; A968-L1116 HydrophobicContact CB-CD2 3.53Å |
| 969 | L | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.4 | -22.1 | 176.2 | -71.3 | 169.1 | 0 | 0 | 0 | 113.3 | L771 V775 W805 F809 T812 M965 M966 P973 | L771-L969 HydrophobicContact CD1-CD2 4.03Å; L771-L969 HydrophobicContact CD2-CD2 4.34Å; V775-L969 HydrophobicContact CG2-CD2 3.93Å; W805-L969 HydrophobicContact CB-CB 4.16Å; W805-L969 HydrophobicContact CB-CD2 3.82Å; W805-L969 WeakPolarHBondContact CB-O 3.47Å; W805-L969 HydrophobicContact CE3-CD2 4.22Å; W805-L969 PolarHBondContact N-O 3.11Å; F809-L969 HydrophobicContact CB-CD1 4.07Å; F809-L969 HydrophobicContact CD2-CD1 4.29Å; T812-L969 WeakPolarHBondContact OG1-CD1 3.26Å; M965-L969 HydrophobicContact CG-CD1 3.9Å; M965-L969 HydrophobicContact CG-CG 4.32Å; M965-L969 VanDerWaalsContact O-CG 3.3Å; M965-L969 WeakPolarHBondContact O-CG 3.47Å; M965-L969 PolarHBondContact O-N 3.03Å; M965-L969 HydrophobicContact SD-CD1 4.32Å; M965-L969 HydrophobicContact SD-CG 4.22Å; M966-L969 PolarHBondContact O-N 3.32Å; L969-P973 WeakPolarHBondContact O-CD 3.22Å; L969-P973 WeakPolarHBondContact O-CG 3.43Å |
| 970 | E | 90.5 | Very high | 89.9 | Confident | 106 Ų | 106 | 17.8 Ų | 17.8 | 50% | 0.495 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -92.6 | -48.2 | 174 | -168.5 | 177 | 173.3 | 0 | 0 | 111.7 | T806 M966 Q967 A968 Q974 | T806-E970 HydrophobicContact CG2-CB 3.7Å; T806-E970 HydrophobicContact CG2-CG 4.28Å; M966-E970 PolarHBondContact O-N 3.3Å; Q967-E970 PolarHBondContact O-N 3.08Å; A968-E970 PolarHBondContact O-N 3.42Å; E970-Q974 WeakPolarHBondContact O-CB 3.38Å |
| 971 | L | 94.2 | Very high | 90.7 | Very high | 17 Ų | 17 | 16.1 Ų | 16.1 | 9% | 0.089 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.1 | -50 | -171 | 177.4 | 69.6 | 0 | 0 | 0 | 113.2 | Q967 A968 L975 K1044 F1048 L1109 F1113 | Q967-L971 WeakPolarHBondContact O-CB 3.45Å; Q967-L971 PolarHBondContact O-N 3.22Å; A968-L971 PolarHBondContact O-N 3.4Å; L971-L975 HydrophobicContact CD1-CD1 3.99Å; L971-L975 HydrophobicContact CD1-CG 4.25Å; L971-L975 HydrophobicContact CD2-CD1 4.49Å; L971-L975 HydrophobicContact CG-CD1 3.87Å; L971-L975 HydrophobicContact CG-CG 4.47Å; L971-L975 WeakPolarHBondContact O-CB 3.46Å; L971-L975 WeakPolarHBondContact O-CG 3.4Å; L971-L975 PolarHBondContact O-N 3.29Å; L971-K1044 HydrophobicContact CD1-CB 4.1Å; L971-K1044 HydrophobicContact CD1-CD 3.94Å; L971-K1044 HydrophobicContact CD1-CG 4.13Å; L971-F1048 HydrophobicContact CD1-CE2 4.32Å; L971-F1048 HydrophobicContact CD2-CE2 3.61Å; L971-F1048 HydrophobicContact CD2-CZ 3.56Å; L971-L1109 HydrophobicContact CD2-CD1 4.1Å; L971-L1109 HydrophobicContact CD2-CG 4.41Å; L971-F1113 HydrophobicContact CD2-CE2 3.59Å; L971-F1113 HydrophobicContact CD2-CZ 3.96Å |
| 972 | L | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -70.8 | -45.2 | -169.3 | -64.9 | -177.2 | 0 | 0 | 0 | 112.8 | I764 F767 Y768 L771 A968 Q974 L975 A976 | I764-L972 HydrophobicContact CG2-CD2 3.93Å; F767-L972 HydrophobicContact CD1-CD1 3.72Å; F767-L972 HydrophobicContact CD1-CD2 3.88Å; F767-L972 HydrophobicContact CD1-CG 4.36Å; F767-L972 HydrophobicContact CD2-CD1 4.09Å; F767-L972 HydrophobicContact CE1-CD1 3.65Å; F767-L972 HydrophobicContact CE1-CD2 3.98Å; F767-L972 HydrophobicContact CE1-CG 4.16Å; F767-L972 HydrophobicContact CE2-CD1 4.01Å; F767-L972 HydrophobicContact CG-CD1 3.95Å; F767-L972 HydrophobicContact CZ-CD1 3.79Å; Y768-L972 HydrophobicContact CD2-CB 4.07Å; L771-L972 HydrophobicContact CB-CD1 4.28Å; L771-L972 HydrophobicContact CD2-CB 4.29Å; L771-L972 HydrophobicContact CD2-CD1 3.79Å; A968-L972 WeakPolarHBondContact O-CB 3.4Å; A968-L972 PolarHBondContact O-N 3.22Å; A968-L972 VanDerWaalsContact O-N 3.09Å; L972-Q974 VanDerWaalsContact C-N 3.3Å; L972-Q974 PolarHBondContact O-N 2.92Å; L972-L975 HydrophobicContact CD2-CD1 4.45Å; L972-L975 PolarHBondContact O-N 3.48Å; L972-A976 PolarHBondContact O-N 3.18Å; L972-A976 VanDerWaalsContact O-N 3.1Å |
| 973 | P | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 176.6 | -20.7 | 34.9 | 0 | 0 | 0 | 112.1 | W805 L969 A976 L977 | W805-P973 HydrophobicContact CB-CG 4.33Å; W805-P973 HydrophobicContact CD2-CB 4.1Å; W805-P973 HydrophobicContact CD2-CG 3.38Å; W805-P973 HydrophobicContact CE3-CG 3.74Å; W805-P973 HydrophobicContact CG-CB 4.26Å; W805-P973 HydrophobicContact CG-CG 3.65Å; W805-P973 HydrophobicContact CH2-CG 4.43Å; W805-P973 HydrophobicContact CZ2-CB 4.25Å; W805-P973 HydrophobicContact CZ2-CG 4.12Å; W805-P973 HydrophobicContact CZ3-CG 4.26Å; L969-P973 WeakPolarHBondContact O-CD 3.22Å; L969-P973 WeakPolarHBondContact O-CG 3.43Å; P973-A976 WeakPolarHBondContact O-CB 3.36Å; P973-A976 PolarHBondContact O-N 3.31Å; P973-L977 PolarHBondContact O-N 3.11Å |
| 974 | Q | 91.8 | Very high | 91.6 | Very high | 43 Ų | 43 | 13.7 Ų | 13.7 | 20% | 0.201 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.1 | -43.9 | 175.9 | -172.4 | 67.3 | 54.8 | 0 | 0 | 112.3 | A803 E970 L972 A976 L977 D978 | A803-Q974 PolarHBondContact O-N 2.94Å; E970-Q974 WeakPolarHBondContact O-CB 3.38Å; L972-Q974 VanDerWaalsContact C-N 3.3Å; L972-Q974 PolarHBondContact O-N 2.92Å; Q974-A976 PolarHBondContact O-N 3.13Å; Q974-L977 PolarHBondContact O-N 3.14Å; Q974-D978 PolarHBondContact NE2-OD1 3.34Å; Q974-D978 WeakPolarHBondContact O-CB 3.05Å; Q974-D978 PolarHBondContact O-N 3.32Å |
| 975 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -56.5 | -41.4 | 173.8 | -83.6 | 170.4 | 0 | 0 | 0 | 111.5 | W761 I764 L971 L972 H979 F1041 K1044 I1045 L1109 | W761-L975 HydrophobicContact CZ3-CB 4.14Å; I764-L975 HydrophobicContact CD1-CD1 4.3Å; L971-L975 HydrophobicContact CD1-CD1 3.99Å; L971-L975 HydrophobicContact CD1-CG 4.25Å; L971-L975 HydrophobicContact CD2-CD1 4.49Å; L971-L975 HydrophobicContact CG-CD1 3.87Å; L971-L975 HydrophobicContact CG-CG 4.47Å; L971-L975 WeakPolarHBondContact O-CB 3.46Å; L971-L975 WeakPolarHBondContact O-CG 3.4Å; L971-L975 PolarHBondContact O-N 3.29Å; L972-L975 HydrophobicContact CD2-CD1 4.45Å; L972-L975 PolarHBondContact O-N 3.48Å; L975-H979 PolarHBondContact O-N 3.02Å; L975-F1041 HydrophobicContact CD2-CD2 3.78Å; L975-F1041 HydrophobicContact CD2-CE2 4.18Å; L975-F1041 WeakPolarHBondContact O-CD2 2.87Å; L975-K1044 HydrophobicContact CD2-CB 3.59Å; L975-K1044 HydrophobicContact CD2-CD 3.91Å; L975-K1044 HydrophobicContact CD2-CG 4.43Å; L975-K1044 HydrophobicContact CG-CB 4.27Å; L975-K1044 HydrophobicContact CG-CD 4.04Å; L975-I1045 HydrophobicContact CD2-CG1 4.28Å; L975-L1109 HydrophobicContact CD1-CD1 4.08Å |
| 976 | A | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W761 Y768 L972 P973 Q974 V980 Q1010 | W761-A976 HydrophobicContact CH2-CB 3.17Å; W761-A976 HydrophobicContact CZ2-CB 3.71Å; W761-A976 HydrophobicContact CZ3-CB 3.73Å; Y768-A976 HydrophobicContact CE2-CB 4.2Å; L972-A976 PolarHBondContact O-N 3.18Å; L972-A976 VanDerWaalsContact O-N 3.1Å; P973-A976 WeakPolarHBondContact O-CB 3.36Å; P973-A976 PolarHBondContact O-N 3.31Å; Q974-A976 PolarHBondContact O-N 3.13Å; A976-V980 WeakPolarHBondContact O-CG2 3.49Å; A976-V980 PolarHBondContact O-N 2.96Å; A976-V980 VanDerWaalsContact O-N 3.08Å; A976-Q1010 HydrophobicContact CB-CB 4.48Å; A976-Q1010 HydrophobicContact CB-CG 3.68Å |
| 977 | L | 91.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | 177.9 | 171.2 | 60.6 | 0 | 0 | 0 | 112 | A803 P973 Q974 H979 V980 T981 W1002 Q1010 | A803-L977 HydrophobicContact CB-CD2 3.42Å; A803-L977 VanDerWaalsContact CB-CD2 3.42Å; P973-L977 PolarHBondContact O-N 3.11Å; Q974-L977 PolarHBondContact O-N 3.14Å; L977-H979 PolarHBondContact O-N 3.42Å; L977-V980 PolarHBondContact O-N 3.43Å; L977-T981 WeakPolarHBondContact CD1-OG1 3.26Å; L977-T981 WeakPolarHBondContact O-CB 3.48Å; L977-T981 PolarHBondContact O-N 2.85Å; L977-T981 PolarHBondContact O-OG1 3.13Å; L977-W1002 HydrophobicContact CD1-CH2 3.74Å; L977-W1002 HydrophobicContact CD1-CZ2 3.99Å; L977-Q1010 VanDerWaalsContact CA-NE2 3.27Å |
| 978 | D | 89.6 | Confident | 91.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.4 | -41.9 | 178.3 | -66.5 | -14.3 | 0 | 0 | 0 | 110.2 | Q974 D982 W1031 S1040 F1041 K1044 | Q974-D978 PolarHBondContact NE2-OD1 3.34Å; Q974-D978 WeakPolarHBondContact O-CB 3.05Å; Q974-D978 PolarHBondContact O-N 3.32Å; D978-D982 PolarHBondContact O-N 3.32Å; D978-W1031 WeakPolarHBondContact OD1-CH2 3.4Å; D978-S1040 WeakPolarHBondContact OD2-CB 3.45Å; D978-S1040 PolarHBondContact OD2-OG 3.29Å; D978-F1041 HydrophobicContact CB-CB 3.94Å; D978-K1044 IonicContact OD2-NZ 2.86Å; D978-K1044 PolarHBondContact OD2-NZ 3.35Å |
| 979 | H | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67 | -49.3 | 176.4 | 178.9 | -127.2 | 0 | 0 | 0 | 112.7 | W761 L975 L977 T981 D982 L983 Y1009 F1041 | W761-H979 AromaticContact CD1-CE1 3.95Å; W761-H979 AromaticContact CD1-ND1 3.84Å; W761-H979 AromaticContact CG-CE1 3.88Å; W761-H979 AromaticContact CG-ND1 3.6Å; L975-H979 PolarHBondContact O-N 3.02Å; L977-H979 PolarHBondContact O-N 3.42Å; H979-T981 VanDerWaalsContact C-N 3.29Å; H979-T981 PolarHBondContact O-N 3.34Å; H979-D982 PolarHBondContact O-N 2.81Å; H979-L983 WeakPolarHBondContact O-CG 3.4Å; H979-L983 PolarHBondContact O-N 2.76Å; H979-L983 VanDerWaalsContact O-N 3.16Å; H979-Y1009 AromaticContact CE1-CD1 3.75Å; H979-Y1009 AromaticContact CE1-CE1 3.67Å; H979-Y1009 AromaticContact ND1-CD1 3.91Å; H979-F1041 HydrophobicContact CB-CD2 3.99Å; H979-F1041 HydrophobicContact CB-CE2 3.93Å |
| 980 | V | 91.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | 179 | 165.9 | 0 | 0 | 0 | 0 | 111.9 | A976 L977 D982 L983 W984 W1002 L1005 R1006 Y1009 Q1010 | A976-V980 WeakPolarHBondContact O-CG2 3.49Å; A976-V980 PolarHBondContact O-N 2.96Å; A976-V980 VanDerWaalsContact O-N 3.08Å; L977-V980 PolarHBondContact O-N 3.43Å; V980-D982 PolarHBondContact O-N 2.95Å; V980-L983 PolarHBondContact O-N 2.9Å; V980-W984 WeakPolarHBondContact O-CB 3.42Å; V980-W984 PolarHBondContact O-N 3.39Å; V980-W1002 HydrophobicContact CG1-CE3 4.39Å; V980-W1002 HydrophobicContact CG1-CH2 4.43Å; V980-W1002 HydrophobicContact CG1-CZ3 4.11Å; V980-L1005 HydrophobicContact CG1-CB 3.81Å; V980-R1006 HydrophobicContact CG1-CG 4.02Å; V980-Y1009 HydrophobicContact CG2-CD2 4.31Å; V980-Y1009 HydrophobicContact CG2-CG 4.25Å; V980-Q1010 HydrophobicContact CG2-CG 4.07Å |
| 981 | T | 89.2 | Confident | 91.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | -178.9 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | L977 H979 W984 K985 L1029 W1031 S1037 | L977-T981 WeakPolarHBondContact CD1-OG1 3.26Å; L977-T981 WeakPolarHBondContact O-CB 3.48Å; L977-T981 PolarHBondContact O-N 2.85Å; L977-T981 PolarHBondContact O-OG1 3.13Å; H979-T981 VanDerWaalsContact C-N 3.29Å; H979-T981 PolarHBondContact O-N 3.34Å; T981-W984 PolarHBondContact O-N 2.96Å; T981-K985 HydrophobicContact CG2-CD 4.29Å; T981-K985 WeakPolarHBondContact O-CG 3.37Å; T981-K985 PolarHBondContact O-N 3.2Å; T981-L1029 HydrophobicContact CG2-CD1 4.13Å; T981-L1029 HydrophobicContact CG2-CD2 3.45Å; T981-L1029 VanDerWaalsContact CG2-CD2 3.45Å; T981-L1029 HydrophobicContact CG2-CG 4.46Å; T981-W1031 HydrophobicContact CG2-CE3 4.35Å; T981-W1031 HydrophobicContact CG2-CZ3 4.03Å; T981-S1037 VanDerWaalsContact CG2-OG 3.3Å; T981-S1037 WeakPolarHBondContact CG2-OG 3.38Å |
| 982 | D | 88.1 | Confident | 90.9 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -76.7 | -31.7 | -178.4 | -81.1 | 8.7 | 0 | 0 | 0 | 112.7 | D978 H979 V980 W984 K985 W986 S1037 M1038 | D978-D982 PolarHBondContact O-N 3.32Å; H979-D982 PolarHBondContact O-N 2.81Å; V980-D982 PolarHBondContact O-N 2.95Å; D982-W984 VanDerWaalsContact C-N 3.26Å; D982-W984 PolarHBondContact O-N 3.32Å; D982-K985 PolarHBondContact O-N 2.88Å; D982-W986 HydrophobicContact CB-CZ3 4.46Å; D982-W986 WeakPolarHBondContact O-CB 3.49Å; D982-W986 PolarHBondContact O-N 3.32Å; D982-S1037 VanDerWaalsContact CG-N 3.26Å; D982-S1037 VanDerWaalsContact OD1-CB 3.23Å; D982-S1037 WeakPolarHBondContact OD1-CB 3.41Å; D982-S1037 PolarHBondContact OD1-N 3.29Å; D982-S1037 PolarHBondContact OD1-OG 3.31Å; D982-S1037 PolarHBondContact OD2-N 3.43Å; D982-M1038 HydrophobicContact CB-CE 3.43Å; D982-M1038 VanDerWaalsContact CB-CE 3.43Å; D982-M1038 WeakPolarHBondContact OD2-CA 3.37Å; D982-M1038 VanDerWaalsContact OD2-CB 3.31Å; D982-M1038 WeakPolarHBondContact OD2-CB 3.46Å; D982-M1038 WeakPolarHBondContact OD2-CE 3.3Å; D982-M1038 PolarHBondContact OD2-N 2.94Å |
| 983 | L | 90.9 | Very high | 90.6 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.037 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 168.1 | -71.4 | 177.3 | 0 | 0 | 0 | 111.4 | E754 H979 V980 W986 K987 L1005 Y1009 | E754-L983 HydrophobicContact CG-CD2 4.07Å; H979-L983 WeakPolarHBondContact O-CG 3.4Å; H979-L983 PolarHBondContact O-N 2.76Å; H979-L983 VanDerWaalsContact O-N 3.16Å; V980-L983 PolarHBondContact O-N 2.9Å; L983-W986 HydrophobicContact CD2-CE3 3.98Å; L983-W986 HydrophobicContact CD2-CZ3 3.98Å; L983-K987 WeakPolarHBondContact O-CG 3.4Å; L983-K987 PolarHBondContact O-N 3.19Å; L983-L1005 HydrophobicContact CB-CD1 4.28Å; L983-Y1009 HydrophobicContact CD1-CD2 3.98Å; L983-Y1009 HydrophobicContact CD1-CE1 4.38Å; L983-Y1009 HydrophobicContact CD1-CE2 3.55Å |
| 984 | W | 91 | Very high | 90.3 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.1 | -47.7 | 176.2 | -179 | 86.8 | 0 | 0 | 0 | 111.8 | L721 V980 T981 D982 W986 K987 V988 W998 W1002 L1005 F1023 P1025 | L721-W984 HydrophobicContact CD2-CH2 4.09Å; V980-W984 WeakPolarHBondContact O-CB 3.42Å; V980-W984 PolarHBondContact O-N 3.39Å; T981-W984 PolarHBondContact O-N 2.96Å; D982-W984 VanDerWaalsContact C-N 3.26Å; D982-W984 PolarHBondContact O-N 3.32Å; W984-W986 VanDerWaalsContact C-N 3.33Å; W984-W986 PolarHBondContact O-N 3.07Å; W984-K987 PolarHBondContact O-N 3.28Å; W984-K987 VanDerWaalsContact O-N 3.11Å; W984-V988 HydrophobicContact CD2-CG2 3.91Å; W984-V988 HydrophobicContact CE3-CG2 4.19Å; W984-V988 HydrophobicContact CH2-CG2 3.93Å; W984-V988 HydrophobicContact CZ2-CG2 3.62Å; W984-V988 HydrophobicContact CZ3-CG2 4.21Å; W984-V988 WeakPolarHBondContact O-CG2 3.46Å; W984-V988 PolarHBondContact O-N 2.89Å; W984-W998 HydrophobicContact CZ2-CB 4.16Å; W984-W998 HydrophobicContact CZ2-CG 4.42Å; W984-W998 PolarHBondContact NE1-O 2.9Å; W984-W1002 HydrophobicContact CB-CE3 3.97Å; W984-W1002 HydrophobicContact CB-CZ3 4.17Å; W984-W1002 HydrophobicContact CD2-CE3 4.15Å; W984-W1002 AromaticContact CG-CE3 3.78Å; W984-W1002 HydrophobicContact CG-CE3 3.78Å; W984-W1002 HydrophobicContact CG-CZ3 4.31Å; W984-L1005 HydrophobicContact CB-CD1 3.79Å; W984-F1023 HydrophobicContact CH2-CE2 4.21Å; W984-F1023 HydrophobicContact CH2-CZ 4.1Å; W984-F1023 AromaticContact CZ2-CE2 3.89Å; W984-F1023 HydrophobicContact CZ2-CE2 3.89Å; W984-F1023 HydrophobicContact CZ2-CZ 4.24Å; W984-P1025 HydrophobicContact CH2-CB 4.04Å; W984-P1025 HydrophobicContact CH2-CG 4.26Å; W984-P1025 HydrophobicContact CZ2-CB 4.11Å; W984-P1025 HydrophobicContact CZ2-CG 3.82Å; W984-P1025 HydrophobicContact CZ3-CB 4.32Å |
| 985 | K | 89 | Confident | 90 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 176.7 | -74.7 | 178.7 | 176.9 | 177.5 | 0 | 111.5 | W744 T981 D982 K987 V988 F989 L1035 | W744-K985 HydrophobicContact CH2-CB 4.46Å; W744-K985 HydrophobicContact CH2-CD 4.41Å; W744-K985 HydrophobicContact CZ3-CB 4.15Å; T981-K985 HydrophobicContact CG2-CD 4.29Å; T981-K985 WeakPolarHBondContact O-CG 3.37Å; T981-K985 PolarHBondContact O-N 3.2Å; D982-K985 PolarHBondContact O-N 2.88Å; K985-K987 VanDerWaalsContact C-N 3.3Å; K985-K987 PolarHBondContact O-N 3.28Å; K985-V988 PolarHBondContact O-N 3.17Å; K985-F989 HydrophobicContact CB-CD2 4.47Å; K985-F989 WeakPolarHBondContact O-CD2 3.42Å; K985-F989 PolarHBondContact O-N 3.4Å; K985-L1035 PolarHBondContact NZ-O 3.12Å |
| 986 | W | 89.5 | Confident | 89.6 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.6 | -44.1 | 176.5 | -76.6 | -33.4 | 0 | 0 | 0 | 112 | T741 L753 E754 D982 L983 W984 V988 R990 M1038 | T741-W986 VanDerWaalsContact CB-CD1 3.49Å; T741-W986 HydrophobicContact CG2-CG 4.46Å; L753-W986 HydrophobicContact CB-CZ2 4.45Å; L753-W986 HydrophobicContact CD2-CZ2 4.15Å; L753-W986 HydrophobicContact CG-CH2 4.3Å; L753-W986 HydrophobicContact CG-CZ2 4.11Å; E754-W986 VanDerWaalsContact CA-CZ3 3.48Å; E754-W986 HydrophobicContact CB-CD2 4.34Å; E754-W986 HydrophobicContact CB-CE3 3.76Å; E754-W986 HydrophobicContact CB-CH2 3.69Å; E754-W986 HydrophobicContact CB-CZ2 4.23Å; E754-W986 HydrophobicContact CB-CZ3 3.44Å; E754-W986 VanDerWaalsContact CB-CZ3 3.44Å; E754-W986 HydrophobicContact CG-CD2 4.46Å; E754-W986 HydrophobicContact CG-CE3 3.57Å; E754-W986 HydrophobicContact CG-CH2 4.26Å; E754-W986 HydrophobicContact CG-CZ3 3.48Å; E754-W986 VanDerWaalsContact CG-CZ3 3.48Å; D982-W986 HydrophobicContact CB-CZ3 4.46Å; D982-W986 WeakPolarHBondContact O-CB 3.49Å; D982-W986 PolarHBondContact O-N 3.32Å; L983-W986 HydrophobicContact CD2-CE3 3.98Å; L983-W986 HydrophobicContact CD2-CZ3 3.98Å; W984-W986 VanDerWaalsContact C-N 3.33Å; W984-W986 PolarHBondContact O-N 3.07Å; W986-V988 PolarHBondContact O-N 3.33Å; W986-R990 VanDerWaalsContact O-CB 3.24Å; W986-R990 WeakPolarHBondContact O-CB 3.49Å; W986-R990 WeakPolarHBondContact O-CD 3.38Å; W986-R990 WeakPolarHBondContact O-CG 3.45Å; W986-R990 PolarHBondContact O-N 2.98Å; W986-M1038 HydrophobicContact CH2-CE 3.45Å; W986-M1038 VanDerWaalsContact CH2-CE 3.45Å; W986-M1038 HydrophobicContact CZ2-CE 4.14Å; W986-M1038 HydrophobicContact CZ3-CE 4.02Å |
| 987 | K | 91.5 | Very high | 89.6 | Confident | 66 Ų | 66 | 41.2 Ų | 41.2 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 177.4 | -73.2 | -173.6 | -179.2 | -160.6 | 0 | 113.3 | L983 W984 K985 S991 T992 V993 E1001 | L983-K987 WeakPolarHBondContact O-CG 3.4Å; L983-K987 PolarHBondContact O-N 3.19Å; W984-K987 PolarHBondContact O-N 3.28Å; W984-K987 VanDerWaalsContact O-N 3.11Å; K985-K987 VanDerWaalsContact C-N 3.3Å; K985-K987 PolarHBondContact O-N 3.28Å; K987-S991 PolarHBondContact O-N 3.39Å; K987-T992 WeakPolarHBondContact CA-OG1 3.38Å; K987-T992 WeakPolarHBondContact CB-OG1 2.98Å; K987-T992 PolarHBondContact O-N 3.36Å; K987-T992 PolarHBondContact O-OG1 3.5Å; K987-V993 HydrophobicContact CB-CG2 3.84Å; K987-V993 HydrophobicContact CD-CG2 4.08Å; K987-V993 HydrophobicContact CG-CG2 4.45Å; K987-E1001 HydrophobicContact CD-CG 4.19Å; K987-E1001 WeakPolarHBondContact CD-OE1 3.44Å; K987-E1001 WeakPolarHBondContact CE-OE1 3.22Å; K987-E1001 IonicContact NZ-OE1 3.91Å; K987-E1001 PolarHBondContact NZ-OE1 2.91Å |
| 988 | V | 89.5 | Confident | 89.4 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.6 | -52.4 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | V725 W984 K985 W986 R990 S991 W998 | V725-V988 HydrophobicContact CG2-CG1 4.24Å; W984-V988 HydrophobicContact CD2-CG2 3.91Å; W984-V988 HydrophobicContact CE3-CG2 4.19Å; W984-V988 HydrophobicContact CH2-CG2 3.93Å; W984-V988 HydrophobicContact CZ2-CG2 3.62Å; W984-V988 HydrophobicContact CZ3-CG2 4.21Å; W984-V988 WeakPolarHBondContact O-CG2 3.46Å; W984-V988 PolarHBondContact O-N 2.89Å; K985-V988 PolarHBondContact O-N 3.17Å; W986-V988 PolarHBondContact O-N 3.33Å; V988-R990 VanDerWaalsContact C-N 3.33Å; V988-R990 PolarHBondContact O-N 3.22Å; V988-S991 WeakPolarHBondContact O-CA 3.47Å; V988-S991 PolarHBondContact O-N 3.08Å; V988-W998 HydrophobicContact CG1-CH2 4.36Å; V988-W998 HydrophobicContact CG1-CZ2 3.81Å; V988-W998 HydrophobicContact CG2-CD2 4.47Å; V988-W998 HydrophobicContact CG2-CG 4.36Å |
| 989 | F | 90.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.3 | -29.2 | -177.4 | -82.2 | -101.8 | 0 | 0 | 0 | 112.7 | V725 N729 T740 T741 W744 K985 S991 | V725-F989 HydrophobicContact CB-CE1 4.38Å; V725-F989 HydrophobicContact CG1-CD1 3.98Å; V725-F989 HydrophobicContact CG1-CE1 4.33Å; V725-F989 HydrophobicContact CG1-CG 4.2Å; V725-F989 HydrophobicContact CG2-CD1 4.33Å; V725-F989 HydrophobicContact CG2-CD2 4.24Å; V725-F989 HydrophobicContact CG2-CE1 3.99Å; V725-F989 HydrophobicContact CG2-CE2 3.87Å; V725-F989 HydrophobicContact CG2-CG 4.48Å; V725-F989 HydrophobicContact CG2-CZ 3.75Å; N729-F989 PolarHBondContact ND2-O 2.98Å; T740-F989 HydrophobicContact CG2-CD1 4.14Å; T740-F989 HydrophobicContact CG2-CE1 4.04Å; T741-F989 HydrophobicContact CG2-CB 3.48Å; T741-F989 VanDerWaalsContact CG2-CB 3.48Å; T741-F989 HydrophobicContact CG2-CG 4.43Å; W744-F989 HydrophobicContact CH2-CD1 4.3Å; W744-F989 AromaticContact CH2-CD2 3.82Å; W744-F989 HydrophobicContact CH2-CD2 3.82Å; W744-F989 HydrophobicContact CH2-CE1 4.11Å; W744-F989 AromaticContact CH2-CE2 3.64Å; W744-F989 HydrophobicContact CH2-CE2 3.64Å; W744-F989 HydrophobicContact CH2-CG 4.14Å; W744-F989 AromaticContact CH2-CZ 3.77Å; W744-F989 HydrophobicContact CH2-CZ 3.77Å; W744-F989 HydrophobicContact CZ2-CE1 4.26Å; W744-F989 HydrophobicContact CZ2-CE2 4.41Å; W744-F989 HydrophobicContact CZ2-CZ 4.1Å; W744-F989 HydrophobicContact CZ3-CD2 4.31Å; K985-F989 HydrophobicContact CB-CD2 4.47Å; K985-F989 WeakPolarHBondContact O-CD2 3.42Å; K985-F989 PolarHBondContact O-N 3.4Å; F989-S991 PolarHBondContact O-N 2.92Å |
| 990 | R | 90.7 | Very high | 89.4 | Confident | 86 Ų | 86 | 45.5 Ų | 45.5 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -0 | 169.8 | -65.5 | 174 | -173 | 159.5 | 0.7 | 113.6 | T741 E745 E754 W986 V988 T992 | T741-R990 HydrophobicContact CG2-CG 4.22Å; T741-R990 PolarHBondContact OG1-NE 3.48Å; E745-R990 IonicContact OE1-NH2 3.78Å; E754-R990 IonicContact OE2-CZ 2.61Å; E754-R990 IonicContact OE2-NH1 2.63Å; E754-R990 PolarHBondContact OE2-NH1 3.24Å; E754-R990 IonicContact OE2-NH2 3.56Å; E754-R990 PolarHBondContact OE2-NH2 3.4Å; E754-R990 VanDerWaalsContact OE2-NH2 3.1Å; W986-R990 VanDerWaalsContact O-CB 3.24Å; W986-R990 WeakPolarHBondContact O-CB 3.49Å; W986-R990 WeakPolarHBondContact O-CD 3.38Å; W986-R990 WeakPolarHBondContact O-CG 3.45Å; W986-R990 PolarHBondContact O-N 2.98Å; V988-R990 VanDerWaalsContact C-N 3.33Å; V988-R990 PolarHBondContact O-N 3.22Å; R990-T992 HydrophobicContact CB-CG2 3.89Å; R990-T992 PolarHBondContact O-N 3.5Å; R990-T992 VanDerWaalsContact O-N 3.15Å |
| 991 | S | 87.6 | Confident | 89.5 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 65% | 0.65 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 28 | -176.7 | -54.2 | 0 | 0 | 0 | 0 | 114.4 | K987 V988 F989 V993 | K987-S991 PolarHBondContact O-N 3.39Å; V988-S991 WeakPolarHBondContact O-CA 3.47Å; V988-S991 PolarHBondContact O-N 3.08Å; F989-S991 PolarHBondContact O-N 2.92Å; S991-V993 VanDerWaalsContact C-N 3.31Å |
| 992 | T | 88.7 | Confident | 89.6 | Confident | 89 Ų | 89 | 47.2 Ų | 47.2 | 55% | 0.546 | 24% | 0.238 | S | C | . | . | trans | -77.2 | -20.1 | 179.4 | 60.8 | 0 | 0 | 0 | 0 | 113 | K987 R990 | K987-T992 WeakPolarHBondContact CA-OG1 3.38Å; K987-T992 WeakPolarHBondContact CB-OG1 2.98Å; K987-T992 PolarHBondContact O-N 3.36Å; K987-T992 PolarHBondContact O-OG1 3.5Å; R990-T992 HydrophobicContact CB-CG2 3.89Å; R990-T992 PolarHBondContact O-N 3.5Å; R990-T992 VanDerWaalsContact O-N 3.15Å | ||
| 993 | V | 90.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.085 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -119.6 | 120.2 | 179.9 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | K987 S991 K997 W998 E1001 | K987-V993 HydrophobicContact CB-CG2 3.84Å; K987-V993 HydrophobicContact CD-CG2 4.08Å; K987-V993 HydrophobicContact CG-CG2 4.45Å; S991-V993 VanDerWaalsContact C-N 3.31Å; V993-K997 HydrophobicContact CG1-CB 3.76Å; V993-W998 PolarHBondContact O-NE1 3.1Å; V993-E1001 HydrophobicContact CG1-CB 3.96Å; V993-E1001 HydrophobicContact CG1-CG 4.32Å; V993-E1001 HydrophobicContact CG2-CG 3.96Å |
| 994 | P | 88.1 | Confident | 90 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | trans | -66.4 | 148.5 | 178.6 | 27.6 | -33.6 | 0 | 0 | 0 | 110.5 | K996 K997 | P994-K996 PolarHBondContact O-N 2.96Å; P994-K997 HydrophobicContact CG-CB 4.18Å; P994-K997 HydrophobicContact CG-CD 3.99Å; P994-K997 HydrophobicContact CG-CG 4.05Å; P994-K997 WeakPolarHBondContact O-CA 3.42Å; P994-K997 PolarHBondContact O-N 3.3Å | ||
| 995 | R | 84.8 | Confident | 90.1 | Very high | 105 Ų | 105 | 50.3 Ų | 50.3 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -45.2 | -44.1 | -176.2 | -176.6 | 178.1 | 132 | -161.6 | -0.4 | 114.3 | D718 E722 K997 W998 | D718-R995 IonicContact OD2-CZ 3.54Å; D718-R995 IonicContact OD2-NE 2.87Å; D718-R995 PolarHBondContact OD2-NE 3.48Å; D718-R995 IonicContact OD2-NH2 2.7Å; D718-R995 PolarHBondContact OD2-NH2 3.11Å; E722-R995 WeakPolarHBondContact OE2-CD 3.3Å; E722-R995 IonicContact OE2-CZ 3.65Å; E722-R995 IonicContact OE2-NE 2.67Å; E722-R995 IonicContact OE2-NH1 2.86Å; E722-R995 PolarHBondContact OE2-NH1 3.5Å; R995-K997 PolarHBondContact O-N 3.09Å; R995-K997 VanDerWaalsContact O-N 3.11Å; R995-W998 HydrophobicContact CB-CD2 4.42Å; R995-W998 HydrophobicContact CB-CZ2 4.31Å; R995-W998 HydrophobicContact CG-CD2 4.27Å; R995-W998 HydrophobicContact CG-CE3 4.08Å; R995-W998 HydrophobicContact CG-CH2 4.27Å; R995-W998 HydrophobicContact CG-CZ2 4.44Å; R995-W998 HydrophobicContact CG-CZ3 4.08Å; R995-W998 WeakPolarHBondContact O-CB 3.26Å; R995-W998 PolarHBondContact O-N 3.43Å; R995-W998 VanDerWaalsContact O-N 3.13Å |
| 996 | K | 86 | Confident | 90.3 | Very high | 163 Ų | 163 | 49.8 Ų | 49.8 | 71% | 0.709 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -62 | -17.9 | 178.5 | -64 | -171.3 | 176.6 | -171.1 | 0 | 114.9 | P994 | P994-K996 PolarHBondContact O-N 2.96Š|
| 997 | K | 90.9 | Very high | 90.6 | Very high | 125 Ų | 125 | 51.7 Ų | 51.7 | 54% | 0.543 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -106.6 | 2.9 | 179.6 | -66.6 | -171 | 177.4 | -174.7 | 0 | 113.2 | V993 P994 R995 N999 S1000 E1001 | V993-K997 HydrophobicContact CG1-CB 3.76Å; P994-K997 HydrophobicContact CG-CB 4.18Å; P994-K997 HydrophobicContact CG-CD 3.99Å; P994-K997 HydrophobicContact CG-CG 4.05Å; P994-K997 WeakPolarHBondContact O-CA 3.42Å; P994-K997 PolarHBondContact O-N 3.3Å; R995-K997 PolarHBondContact O-N 3.09Å; R995-K997 VanDerWaalsContact O-N 3.11Å; K997-N999 VanDerWaalsContact C-N 3.28Å; K997-N999 PolarHBondContact O-N 3.33Å; K997-S1000 WeakPolarHBondContact CA-OG 3.49Å; K997-S1000 PolarHBondContact O-N 3.45Å; K997-S1000 PolarHBondContact O-OG 3.21Å; K997-S1000 VanDerWaalsContact O-OG 3.14Å; K997-E1001 VanDerWaalsContact O-CB 3.26Å; K997-E1001 WeakPolarHBondContact O-CB 3.36Å; K997-E1001 PolarHBondContact O-N 2.9Å |
| 998 | W | 88.3 | Confident | 90.6 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 6% | 0.057 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.7 | -41.1 | -178.7 | -75.9 | -2.7 | 0 | 0 | 0 | 112.8 | L721 E722 W984 V988 V993 R995 W1002 F1023 | L721-W998 HydrophobicContact CB-CZ3 4.39Å; L721-W998 HydrophobicContact CD2-CE3 4.28Å; L721-W998 HydrophobicContact CD2-CH2 4.44Å; L721-W998 HydrophobicContact CD2-CZ3 3.81Å; L721-W998 HydrophobicContact CG-CH2 4.34Å; L721-W998 HydrophobicContact CG-CZ3 4.07Å; E722-W998 HydrophobicContact CB-CH2 4.03Å; W984-W998 HydrophobicContact CZ2-CB 4.16Å; W984-W998 HydrophobicContact CZ2-CG 4.42Å; W984-W998 PolarHBondContact NE1-O 2.9Å; V988-W998 HydrophobicContact CG1-CH2 4.36Å; V988-W998 HydrophobicContact CG1-CZ2 3.81Å; V988-W998 HydrophobicContact CG2-CD2 4.47Å; V988-W998 HydrophobicContact CG2-CG 4.36Å; V993-W998 PolarHBondContact O-NE1 3.1Å; R995-W998 HydrophobicContact CB-CD2 4.42Å; R995-W998 HydrophobicContact CB-CZ2 4.31Å; R995-W998 HydrophobicContact CG-CD2 4.27Å; R995-W998 HydrophobicContact CG-CE3 4.08Å; R995-W998 HydrophobicContact CG-CH2 4.27Å; R995-W998 HydrophobicContact CG-CZ2 4.44Å; R995-W998 HydrophobicContact CG-CZ3 4.08Å; R995-W998 WeakPolarHBondContact O-CB 3.26Å; R995-W998 PolarHBondContact O-N 3.43Å; R995-W998 VanDerWaalsContact O-N 3.13Å; W998-W1002 PolarHBondContact O-N 2.81Å; W998-W1002 VanDerWaalsContact O-N 3.11Å; W998-F1023 HydrophobicContact CB-CD2 4.47Å; W998-F1023 HydrophobicContact CB-CE2 4.02Å; W998-F1023 AromaticContact CE3-CE2 3.93Å; W998-F1023 HydrophobicContact CE3-CE2 3.93Å; W998-F1023 AromaticContact CE3-CZ 3.82Å; W998-F1023 HydrophobicContact CE3-CZ 3.82Å; W998-F1023 HydrophobicContact CZ3-CZ 4.35Å |
| 999 | N | 89.3 | Confident | 90.8 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.9 | -40.7 | -179.4 | -160.9 | 53.9 | 0 | 0 | 0 | 113.3 | K997 E1001 W1002 W1003 S1022 D1024 | K997-N999 VanDerWaalsContact C-N 3.28Å; K997-N999 PolarHBondContact O-N 3.33Å; N999-E1001 VanDerWaalsContact C-N 3.31Å; N999-E1001 PolarHBondContact O-N 3.19Å; N999-W1002 WeakPolarHBondContact O-CB 3.48Å; N999-W1002 PolarHBondContact O-N 3.48Å; N999-W1003 PolarHBondContact O-N 2.94Å; N999-S1022 WeakPolarHBondContact CB-O 3.32Å; N999-S1022 WeakPolarHBondContact ND2-CB 3.43Å; N999-S1022 PolarHBondContact ND2-O 3.38Å; N999-D1024 PolarHBondContact ND2-OD2 3.28Å; N999-D1024 VanDerWaalsContact OD1-CB 3.3Å; N999-D1024 WeakPolarHBondContact OD1-CB 3.45Å; N999-D1024 PolarHBondContact OD1-N 3.36Å; N999-D1024 PolarHBondContact OD1-OD2 3.26Å |
| 1000 | S | 91.7 | Very high | 91 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.2 | -35 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | K997 S1004 | K997-S1000 WeakPolarHBondContact CA-OG 3.49Å; K997-S1000 PolarHBondContact O-N 3.45Å; K997-S1000 PolarHBondContact O-OG 3.21Å; K997-S1000 VanDerWaalsContact O-OG 3.14Å; S1000-S1004 VanDerWaalsContact O-CB 3.29Å; S1000-S1004 WeakPolarHBondContact O-CB 3.38Å; S1000-S1004 PolarHBondContact O-N 3Å |
| 1001 | E | 93.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 172.6 | -172.7 | 67 | -163.4 | 0 | 0 | 112.2 | K987 V993 K997 N999 S1004 L1005 | K987-E1001 HydrophobicContact CD-CG 4.19Å; K987-E1001 WeakPolarHBondContact CD-OE1 3.44Å; K987-E1001 WeakPolarHBondContact CE-OE1 3.22Å; K987-E1001 IonicContact NZ-OE1 3.91Å; K987-E1001 PolarHBondContact NZ-OE1 2.91Å; V993-E1001 HydrophobicContact CG1-CB 3.96Å; V993-E1001 HydrophobicContact CG1-CG 4.32Å; V993-E1001 HydrophobicContact CG2-CG 3.96Å; K997-E1001 VanDerWaalsContact O-CB 3.26Å; K997-E1001 WeakPolarHBondContact O-CB 3.36Å; K997-E1001 PolarHBondContact O-N 2.9Å; N999-E1001 VanDerWaalsContact C-N 3.31Å; N999-E1001 PolarHBondContact O-N 3.19Å; E1001-S1004 WeakPolarHBondContact O-CB 3.48Å; E1001-S1004 PolarHBondContact O-N 3.3Å; E1001-L1005 HydrophobicContact CG-CD1 4.26Å; E1001-L1005 WeakPolarHBondContact O-CG 3.38Å; E1001-L1005 PolarHBondContact O-N 3.31Å |
| 1002 | W | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.2 | -55.6 | 174.1 | 175.4 | -112.2 | 0 | 0 | 0 | 111.3 | L977 V980 W984 W998 N999 S1004 L1005 R1006 P1025 E1028 | L977-W1002 HydrophobicContact CD1-CH2 3.74Å; L977-W1002 HydrophobicContact CD1-CZ2 3.99Å; V980-W1002 HydrophobicContact CG1-CE3 4.39Å; V980-W1002 HydrophobicContact CG1-CH2 4.43Å; V980-W1002 HydrophobicContact CG1-CZ3 4.11Å; W984-W1002 HydrophobicContact CB-CE3 3.97Å; W984-W1002 HydrophobicContact CB-CZ3 4.17Å; W984-W1002 HydrophobicContact CD2-CE3 4.15Å; W984-W1002 AromaticContact CG-CE3 3.78Å; W984-W1002 HydrophobicContact CG-CE3 3.78Å; W984-W1002 HydrophobicContact CG-CZ3 4.31Å; W998-W1002 PolarHBondContact O-N 2.81Å; W998-W1002 VanDerWaalsContact O-N 3.11Å; N999-W1002 WeakPolarHBondContact O-CB 3.48Å; N999-W1002 PolarHBondContact O-N 3.48Å; W1002-S1004 VanDerWaalsContact C-N 3.31Å; W1002-S1004 PolarHBondContact O-N 3.28Å; W1002-L1005 PolarHBondContact O-N 3.33Å; W1002-R1006 HydrophobicContact CD2-CG 4.1Å; W1002-R1006 HydrophobicContact CG-CG 4.33Å; W1002-R1006 HydrophobicContact CZ2-CG 4.25Å; W1002-R1006 WeakPolarHBondContact O-CG 3.47Å; W1002-R1006 PolarHBondContact O-N 3.32Å; W1002-P1025 HydrophobicContact CB-CG 3.77Å; W1002-P1025 HydrophobicContact CD2-CB 4.17Å; W1002-P1025 HydrophobicContact CD2-CG 3.76Å; W1002-P1025 HydrophobicContact CE3-CB 4.22Å; W1002-P1025 HydrophobicContact CE3-CG 4.07Å; W1002-P1025 HydrophobicContact CG-CG 3.63Å; W1002-E1028 HydrophobicContact CZ2-CB 4.37Å; W1002-E1028 WeakPolarHBondContact CZ2-OE2 3.49Å; W1002-E1028 PolarHBondContact NE1-OE1 3.04Å |
| 1003 | W | 93.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 39 Ų | 39 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | -179.6 | -73.5 | 109.5 | 0 | 0 | 0 | 113.6 | W706 A794 N999 R1006 H1007 I1012 P1014 D1024 | W706-W1003 AromaticContact CH2-CH2 4Å; W706-W1003 HydrophobicContact CH2-CH2 4Å; W706-W1003 AromaticContact CH2-CZ2 3.45Å; W706-W1003 HydrophobicContact CH2-CZ2 3.45Å; W706-W1003 VanDerWaalsContact CH2-CZ2 3.45Å; W706-W1003 AromaticContact CZ2-CH2 3.47Å; W706-W1003 HydrophobicContact CZ2-CH2 3.47Å; W706-W1003 VanDerWaalsContact CZ2-CH2 3.47Å; W706-W1003 AromaticContact CZ2-CZ2 3.31Å; W706-W1003 HydrophobicContact CZ2-CZ2 3.31Å; A794-W1003 HydrophobicContact CB-CH2 4.15Å; A794-W1003 HydrophobicContact CB-CZ3 4.44Å; N999-W1003 PolarHBondContact O-N 2.94Å; W1003-R1006 HydrophobicContact CE3-CB 4.09Å; W1003-R1006 HydrophobicContact CE3-CG 4.38Å; W1003-R1006 HydrophobicContact CZ3-CB 4.46Å; W1003-H1007 VanDerWaalsContact O-CB 3.25Å; W1003-H1007 WeakPolarHBondContact O-CB 3.21Å; W1003-H1007 PolarHBondContact O-N 2.63Å; W1003-I1012 HydrophobicContact CZ3-CG2 4.41Å; W1003-P1014 HydrophobicContact CD2-CB 3.88Å; W1003-P1014 HydrophobicContact CD2-CG 3.81Å; W1003-P1014 HydrophobicContact CE3-CB 4.07Å; W1003-P1014 HydrophobicContact CE3-CG 4.05Å; W1003-P1014 HydrophobicContact CG-CG 4.08Å; W1003-P1014 HydrophobicContact CH2-CB 4.03Å; W1003-P1014 HydrophobicContact CZ2-CB 3.87Å; W1003-P1014 HydrophobicContact CZ3-CB 4.11Å; W1003-D1024 HydrophobicContact CZ2-CB 4.39Å; W1003-D1024 PolarHBondContact NE1-OD2 3.16Å |
| 1004 | S | 93.8 | Very high | 91.8 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 43% | 0.427 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59 | -48.1 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | S1000 E1001 W1002 Q1008 | S1000-S1004 VanDerWaalsContact O-CB 3.29Å; S1000-S1004 WeakPolarHBondContact O-CB 3.38Å; S1000-S1004 PolarHBondContact O-N 3Å; E1001-S1004 WeakPolarHBondContact O-CB 3.48Å; E1001-S1004 PolarHBondContact O-N 3.3Å; W1002-S1004 VanDerWaalsContact C-N 3.31Å; W1002-S1004 PolarHBondContact O-N 3.28Å; S1004-Q1008 VanDerWaalsContact O-CB 3.3Å; S1004-Q1008 WeakPolarHBondContact O-CB 3.24Å; S1004-Q1008 PolarHBondContact O-N 2.99Å |
| 1005 | L | 94.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.6 | -68.4 | 170.6 | 0 | 0 | 0 | 112.5 | V980 L983 W984 E1001 W1002 Q1008 Y1009 | V980-L1005 HydrophobicContact CG1-CB 3.81Å; L983-L1005 HydrophobicContact CB-CD1 4.28Å; W984-L1005 HydrophobicContact CB-CD1 3.79Å; E1001-L1005 HydrophobicContact CG-CD1 4.26Å; E1001-L1005 WeakPolarHBondContact O-CG 3.38Å; E1001-L1005 PolarHBondContact O-N 3.31Å; W1002-L1005 PolarHBondContact O-N 3.33Å; L1005-Q1008 PolarHBondContact O-N 3.24Å; L1005-Y1009 HydrophobicContact CD2-CD2 4.31Å; L1005-Y1009 HydrophobicContact CD2-CE2 4.01Å; L1005-Y1009 WeakPolarHBondContact O-CD2 3.39Å; L1005-Y1009 PolarHBondContact O-N 3.48Å |
| 1006 | R | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.5 | -63.9 | -84.1 | -64.6 | 173.9 | -2.9 | 111 | T801 V980 W1002 W1003 Q1010 G1011 I1012 E1028 | T801-R1006 PolarHBondContact O-NH2 2.89Å; V980-R1006 HydrophobicContact CG1-CG 4.02Å; W1002-R1006 HydrophobicContact CD2-CG 4.1Å; W1002-R1006 HydrophobicContact CG-CG 4.33Å; W1002-R1006 HydrophobicContact CZ2-CG 4.25Å; W1002-R1006 WeakPolarHBondContact O-CG 3.47Å; W1002-R1006 PolarHBondContact O-N 3.32Å; W1003-R1006 HydrophobicContact CE3-CB 4.09Å; W1003-R1006 HydrophobicContact CE3-CG 4.38Å; W1003-R1006 HydrophobicContact CZ3-CB 4.46Å; R1006-Q1010 VanDerWaalsContact NH1-CD 3.34Å; R1006-Q1010 WeakPolarHBondContact O-CA 3.25Å; R1006-Q1010 VanDerWaalsContact O-CB 3.27Å; R1006-Q1010 WeakPolarHBondContact O-CB 3.04Å; R1006-Q1010 PolarHBondContact O-N 3.04Å; R1006-G1011 PolarHBondContact O-N 3.11Å; R1006-I1012 CarbonylContact C-O 3.56Å; R1006-E1028 IonicContact CZ-OE2 2.77Å; R1006-E1028 IonicContact NE-OE2 2.81Å; R1006-E1028 IonicContact NH1-OE2 3.09Å; R1006-E1028 IonicContact NH2-OE2 3.56Å |
| 1007 | H | 94.1 | Very high | 91.6 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 174.9 | 179 | -129.7 | 0 | 0 | 0 | 111.1 | W1003 G1011 I1012 V1013 W1133 | W1003-H1007 VanDerWaalsContact O-CB 3.25Å; W1003-H1007 WeakPolarHBondContact O-CB 3.21Å; W1003-H1007 PolarHBondContact O-N 2.63Å; H1007-G1011 WeakPolarHBondContact O-CA 3.43Å; H1007-G1011 PolarHBondContact O-N 3.29Å; H1007-G1011 VanDerWaalsContact O-N 3.11Å; H1007-I1012 WeakPolarHBondContact CA-O 3.49Å; H1007-I1012 PolarHBondContact N-O 3.42Å; H1007-V1013 HydrophobicContact CB-CG1 4.49Å; H1007-W1133 AromaticContact CD2-CD1 3.88Å; H1007-W1133 AromaticContact NE2-CD1 3.72Å; H1007-W1133 PolarHBondContact O-NE1 3.46Å |
| 1008 | Q | 92.7 | Very high | 91.4 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -50.7 | -178.9 | 174.2 | 172.6 | 13.7 | 0 | 0 | 113.2 | S1004 L1005 F1135 W1137 | S1004-Q1008 VanDerWaalsContact O-CB 3.3Å; S1004-Q1008 WeakPolarHBondContact O-CB 3.24Å; S1004-Q1008 PolarHBondContact O-N 2.99Å; L1005-Q1008 PolarHBondContact O-N 3.24Å; Q1008-F1135 HydrophobicContact CB-CD2 4.3Å; Q1008-F1135 HydrophobicContact CB-CE2 4.05Å; Q1008-F1135 HydrophobicContact CB-CZ 4.4Å; Q1008-F1135 HydrophobicContact CG-CD1 4.37Å; Q1008-F1135 HydrophobicContact CG-CD2 4.2Å; Q1008-F1135 HydrophobicContact CG-CE1 3.88Å; Q1008-F1135 HydrophobicContact CG-CE2 3.68Å; Q1008-F1135 HydrophobicContact CG-CZ 3.52Å; Q1008-W1137 WeakPolarHBondContact O-CZ2 3.46Å |
| 1009 | Y | 93.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -96.6 | -19.9 | -168.6 | -73.1 | -80.1 | 0 | 0 | 0 | 114.1 | W761 H979 V980 L983 L1005 W1137 | W761-Y1009 AromaticContact CD1-CD1 3.59Å; W761-Y1009 VanDerWaalsContact CZ2-O 3.22Å; W761-Y1009 WeakPolarHBondContact CZ2-O 3.19Å; W761-Y1009 AromaticContact NE1-CD1 3.66Å; H979-Y1009 AromaticContact CE1-CD1 3.75Å; H979-Y1009 AromaticContact CE1-CE1 3.67Å; H979-Y1009 AromaticContact ND1-CD1 3.91Å; V980-Y1009 HydrophobicContact CG2-CD2 4.31Å; V980-Y1009 HydrophobicContact CG2-CG 4.25Å; L983-Y1009 HydrophobicContact CD1-CD2 3.98Å; L983-Y1009 HydrophobicContact CD1-CE1 4.38Å; L983-Y1009 HydrophobicContact CD1-CE2 3.55Å; L1005-Y1009 HydrophobicContact CD2-CD2 4.31Å; L1005-Y1009 HydrophobicContact CD2-CE2 4.01Å; L1005-Y1009 WeakPolarHBondContact O-CD2 3.39Å; L1005-Y1009 PolarHBondContact O-N 3.48Å; Y1009-W1137 AromaticContact CD1-CH2 3.86Å; Y1009-W1137 HydrophobicContact CD1-CH2 3.86Å; Y1009-W1137 HydrophobicContact CD1-CZ3 4.5Å; Y1009-W1137 HydrophobicContact CE1-CH2 4.03Å; Y1009-W1137 HydrophobicContact CE1-CZ3 4.22Å |
| 1010 | Q | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -121.8 | -16.4 | -176.1 | -49.1 | 177.6 | -59.7 | 0 | 0 | 113.8 | Y768 A976 L977 V980 R1006 I1012 | Y768-Q1010 VanDerWaalsContact CE1-O 3.24Å; Y768-Q1010 WeakPolarHBondContact CE1-O 3.48Å; Y768-Q1010 PolarHBondContact OH-O 3.34Å; A976-Q1010 HydrophobicContact CB-CB 4.48Å; A976-Q1010 HydrophobicContact CB-CG 3.68Å; L977-Q1010 VanDerWaalsContact CA-NE2 3.27Å; V980-Q1010 HydrophobicContact CG2-CG 4.07Å; R1006-Q1010 VanDerWaalsContact NH1-CD 3.34Å; R1006-Q1010 WeakPolarHBondContact O-CA 3.25Å; R1006-Q1010 VanDerWaalsContact O-CB 3.27Å; R1006-Q1010 WeakPolarHBondContact O-CB 3.04Å; R1006-Q1010 PolarHBondContact O-N 3.04Å; Q1010-I1012 VanDerWaalsContact C-N 3.28Å; Q1010-I1012 HydrophobicContact CB-CB 4.4Å; Q1010-I1012 HydrophobicContact CB-CD1 4Å; Q1010-I1012 HydrophobicContact CB-CG1 3.98Å; Q1010-I1012 PolarHBondContact O-N 3.09Å |
| 1011 | G | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 65 | 36.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H772 A791 L792 R1006 H1007 W1133 | H772-G1011 PolarHBondContact NE2-O 3.48Å; H772-G1011 VanDerWaalsContact NE2-O 3.13Å; A791-G1011 CarbonylContact C-O 3.53Å; A791-G1011 WeakPolarHBondContact CA-O 3.16Å; A791-G1011 WeakPolarHBondContact CB-O 3.27Å; L792-G1011 PolarHBondContact N-O 2.93Å; R1006-G1011 PolarHBondContact O-N 3.11Å; H1007-G1011 WeakPolarHBondContact O-CA 3.43Å; H1007-G1011 PolarHBondContact O-N 3.29Å; H1007-G1011 VanDerWaalsContact O-N 3.11Å; G1011-W1133 VanDerWaalsContact CA-CG 3.41Å; G1011-W1133 VanDerWaalsContact N-CE2 3.26Å; G1011-W1133 VanDerWaalsContact N-CZ2 3.27Å | ||
| 1012 | I | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.8 | 177.5 | -59.7 | 175.1 | 0 | 0 | 0 | 108.7 | L792 A794 L797 A802 W805 W1003 R1006 H1007 Q1010 | L792-I1012 VanDerWaalsContact O-CA 3.26Å; L792-I1012 WeakPolarHBondContact O-CA 3.43Å; A794-I1012 HydrophobicContact CB-CG2 3.75Å; L797-I1012 HydrophobicContact CD1-CD1 3.83Å; L797-I1012 HydrophobicContact CD1-CG1 3.98Å; L797-I1012 HydrophobicContact CD1-CG2 4.3Å; A802-I1012 HydrophobicContact CB-CD1 4.11Å; W805-I1012 HydrophobicContact CZ2-CD1 4.16Å; W1003-I1012 HydrophobicContact CZ3-CG2 4.41Å; R1006-I1012 CarbonylContact C-O 3.56Å; H1007-I1012 WeakPolarHBondContact CA-O 3.49Å; H1007-I1012 PolarHBondContact N-O 3.42Å; Q1010-I1012 VanDerWaalsContact C-N 3.28Å; Q1010-I1012 HydrophobicContact CB-CB 4.4Å; Q1010-I1012 HydrophobicContact CB-CD1 4Å; Q1010-I1012 HydrophobicContact CB-CG1 3.98Å; Q1010-I1012 PolarHBondContact O-N 3.09Å |
| 1013 | V | 93.5 | Very high | 88.4 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.2 | 178.3 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | I789 A791 L792 P793 A794 H1007 | I789-V1013 HydrophobicContact CD1-CG1 4.04Å; I789-V1013 HydrophobicContact CD1-CG2 4.2Å; A791-V1013 HydrophobicContact CB-CG1 3.76Å; A791-V1013 HydrophobicContact CB-CG2 4.2Å; L792-V1013 PolarHBondContact O-N 2.69Å; P793-V1013 WeakPolarHBondContact CA-O 3.45Å; P793-V1013 HydrophobicContact CG-CG2 4.43Å; A794-V1013 PolarHBondContact N-O 3.04Å; H1007-V1013 HydrophobicContact CB-CG1 4.49Å |
| 1014 | P | 92.5 | Very high | 87.9 | Confident | 28 Ų | 28 | 42 Ų | 42 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | trans | -66.1 | 151.5 | 172.6 | 28.8 | -30.7 | 0 | 0 | 0 | 109.5 | W706 W1003 T1016 R1018 | W706-P1014 HydrophobicContact CH2-CB 4.06Å; W1003-P1014 HydrophobicContact CD2-CB 3.88Å; W1003-P1014 HydrophobicContact CD2-CG 3.81Å; W1003-P1014 HydrophobicContact CE3-CB 4.07Å; W1003-P1014 HydrophobicContact CE3-CG 4.05Å; W1003-P1014 HydrophobicContact CG-CG 4.08Å; W1003-P1014 HydrophobicContact CH2-CB 4.03Å; W1003-P1014 HydrophobicContact CZ2-CB 3.87Å; W1003-P1014 HydrophobicContact CZ3-CB 4.11Å; P1014-T1016 WeakPolarHBondContact CB-O 3.38Å; P1014-T1016 PolarHBondContact O-N 2.92Å; P1014-R1018 HydrophobicContact CB-CG 3.74Å; P1014-R1018 HydrophobicContact CG-CG 3.94Å | ||
| 1015 | P | 87.7 | Confident | 87.2 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -59.2 | -33.4 | 178 | -23.9 | 35.9 | 0 | 0 | 0 | 113.6 | N703 W706 H795 | N703-P1015 HydrophobicContact CB-CB 4.41Å; N703-P1015 WeakPolarHBondContact OD1-CB 2.75Å; W706-P1015 HydrophobicContact CB-CG 4.32Å; W706-P1015 HydrophobicContact CD2-CG 3.5Å; W706-P1015 VanDerWaalsContact CD2-CG 3.5Å; W706-P1015 HydrophobicContact CE3-CB 4.45Å; W706-P1015 HydrophobicContact CE3-CG 3.46Å; W706-P1015 VanDerWaalsContact CE3-CG 3.46Å; W706-P1015 HydrophobicContact CG-CG 3.88Å; W706-P1015 VanDerWaalsContact CZ3-CD 3.45Å; W706-P1015 HydrophobicContact CZ3-CG 4.1Å; H795-P1015 HydrophobicContact CB-CB 4.23Å; H795-P1015 HydrophobicContact CB-CG 3.52Å; H795-P1015 VanDerWaalsContact ND1-CB 3.33Å; H795-P1015 WeakPolarHBondContact ND1-CB 3.41Å; H795-P1015 VanDerWaalsContact ND1-CG 3.31Å; H795-P1015 WeakPolarHBondContact ND1-CG 3.44Å |
| 1016 | T | 83.8 | Confident | 85.9 | Confident | 45 Ų | 45 | 40 Ų | 40 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -134.9 | 152 | 179.8 | 51.3 | 0 | 0 | 0 | 0 | 109.9 | P1014 R1018 | P1014-T1016 WeakPolarHBondContact CB-O 3.38Å; P1014-T1016 PolarHBondContact O-N 2.92Å; T1016-R1018 WeakPolarHBondContact O-CD 3.3Å; T1016-R1018 PolarHBondContact O-N 3.35Å |
| 1017 | P | 83.4 | Confident | 84.3 | Confident | 133 Ų | 133 | 40.8 Ų | 40.8 | 86% | 0.864 | 23% | 0.231 | S | C | * | . | P | Polyproline II helix | trans | -55.2 | 125 | 172.7 | -24.6 | 34.2 | 0 | 0 | 0 | 111.1 | ||
| 1018 | R | 86 | Confident | 82.8 | Confident | 42 Ų | 42 | 39.5 Ų | 39.5 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -90.9 | 128.1 | -176.9 | -52.2 | -63 | -72.6 | 154.1 | 4 | 110 | D711 P1014 T1016 D1024 | D711-R1018 IonicContact OD1-CZ 2.75Å; D711-R1018 VanDerWaalsContact OD1-CZ 3.26Å; D711-R1018 IonicContact OD1-NH1 2.64Å; D711-R1018 PolarHBondContact OD1-NH1 2.92Å; D711-R1018 IonicContact OD1-NH2 2.6Å; D711-R1018 PolarHBondContact OD1-NH2 2.88Å; P1014-R1018 HydrophobicContact CB-CG 3.74Å; P1014-R1018 HydrophobicContact CG-CG 3.94Å; T1016-R1018 WeakPolarHBondContact O-CD 3.3Å; T1016-R1018 PolarHBondContact O-N 3.35Å; R1018-D1024 IonicContact CZ-OD1 3.48Å; R1018-D1024 IonicContact CZ-OD2 2.99Å; R1018-D1024 IonicContact NE-OD1 3.46Å; R1018-D1024 PolarHBondContact NE-OD1 2.87Å; R1018-D1024 IonicContact NE-OD2 3.39Å; R1018-D1024 PolarHBondContact NE-OD2 2.82Å; R1018-D1024 IonicContact NH2-OD1 2.78Å; R1018-D1024 PolarHBondContact NH2-OD1 3.29Å; R1018-D1024 IonicContact NH2-OD2 2.82Å |
| 1019 | G | 79.3 | Confident | 81 | Confident | 45 Ų | 45 | 39 Ų | 39 | 46% | 0.464 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -73.8 | 170.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1021 S1022 | G1019-N1021 PolarHBondContact O-N 3.33Å; G1019-N1021 VanDerWaalsContact O-N 3.17Å; G1019-S1022 WeakPolarHBondContact O-CB 3.24Å; G1019-S1022 PolarHBondContact O-N 3.36Å; G1019-S1022 VanDerWaalsContact O-N 3.12Å |
| 1020 | E | 75.7 | Confident | 79 | Confident | 158 Ų | 158 | 43.1 Ų | 43.1 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.4 | 179 | -69.2 | -168 | 165.6 | 0 | 0 | 113.9 | ||
| 1021 | N | 75.8 | Confident | 77.1 | Confident | 166 Ų | 166 | 47 Ų | 47 | 89% | 0.888 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.6 | 179.2 | -65.2 | -23 | 0 | 0 | 0 | 113.6 | G1019 | G1019-N1021 PolarHBondContact O-N 3.33Å; G1019-N1021 VanDerWaalsContact O-N 3.17Å |
| 1022 | S | 80.3 | Confident | 75.3 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | trans | -77.5 | 140.4 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | N999 G1019 | N999-S1022 WeakPolarHBondContact CB-O 3.32Å; N999-S1022 WeakPolarHBondContact ND2-CB 3.43Å; N999-S1022 PolarHBondContact ND2-O 3.38Å; G1019-S1022 WeakPolarHBondContact O-CB 3.24Å; G1019-S1022 PolarHBondContact O-N 3.36Å; G1019-S1022 VanDerWaalsContact O-N 3.12Å | ||
| 1023 | F | 81.3 | Confident | 73.4 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | trans | -138.6 | 87.6 | 174.8 | -170.2 | -139.1 | 0 | 0 | 0 | 110.8 | F717 D718 L721 W984 W998 P1025 P1026 | F717-F1023 HydrophobicContact CD1-CE1 4.15Å; D718-F1023 HydrophobicContact CB-CD1 3.89Å; D718-F1023 HydrophobicContact CB-CE1 4.13Å; L721-F1023 HydrophobicContact CD2-CE1 3.95Å; L721-F1023 HydrophobicContact CD2-CZ 3.55Å; W984-F1023 HydrophobicContact CH2-CE2 4.21Å; W984-F1023 HydrophobicContact CH2-CZ 4.1Å; W984-F1023 AromaticContact CZ2-CE2 3.89Å; W984-F1023 HydrophobicContact CZ2-CE2 3.89Å; W984-F1023 HydrophobicContact CZ2-CZ 4.24Å; W998-F1023 HydrophobicContact CB-CD2 4.47Å; W998-F1023 HydrophobicContact CB-CE2 4.02Å; W998-F1023 AromaticContact CE3-CE2 3.93Å; W998-F1023 HydrophobicContact CE3-CE2 3.93Å; W998-F1023 AromaticContact CE3-CZ 3.82Å; W998-F1023 HydrophobicContact CE3-CZ 3.82Å; W998-F1023 HydrophobicContact CZ3-CZ 4.35Å; F1023-P1025 HydrophobicContact CD2-CG 4.36Å; F1023-P1025 HydrophobicContact CE2-CB 4.47Å; F1023-P1025 HydrophobicContact CE2-CG 3.96Å; F1023-P1026 HydrophobicContact CD1-CG 3.47Å; F1023-P1026 VanDerWaalsContact CD1-CG 3.47Å; F1023-P1026 HydrophobicContact CE1-CG 3.16Å; F1023-P1026 HydrophobicContact CE2-CG 4.4Å; F1023-P1026 HydrophobicContact CG-CG 4.23Å; F1023-P1026 HydrophobicContact CZ-CG 3.66Å | ||
| 1024 | D | 82.7 | Confident | 71.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -81.6 | -35.7 | -169.3 | -56.5 | -23.9 | 0 | 0 | 0 | 114.9 | N999 W1003 R1018 P1026 N1027 E1028 | N999-D1024 PolarHBondContact ND2-OD2 3.28Å; N999-D1024 VanDerWaalsContact OD1-CB 3.3Å; N999-D1024 WeakPolarHBondContact OD1-CB 3.45Å; N999-D1024 PolarHBondContact OD1-N 3.36Å; N999-D1024 PolarHBondContact OD1-OD2 3.26Å; W1003-D1024 HydrophobicContact CZ2-CB 4.39Å; W1003-D1024 PolarHBondContact NE1-OD2 3.16Å; R1018-D1024 IonicContact CZ-OD1 3.48Å; R1018-D1024 IonicContact CZ-OD2 2.99Å; R1018-D1024 IonicContact NE-OD1 3.46Å; R1018-D1024 PolarHBondContact NE-OD1 2.87Å; R1018-D1024 IonicContact NE-OD2 3.39Å; R1018-D1024 PolarHBondContact NE-OD2 2.82Å; R1018-D1024 IonicContact NH2-OD1 2.78Å; R1018-D1024 PolarHBondContact NH2-OD1 3.29Å; R1018-D1024 IonicContact NH2-OD2 2.82Å; D1024-P1026 VanDerWaalsContact C-CD 3.49Å; D1024-N1027 WeakPolarHBondContact O-CB 3.45Å; D1024-N1027 PolarHBondContact O-N 3.06Å; D1024-E1028 PolarHBondContact O-N 3.44Å | ||
| 1025 | P | 80 | Confident | 70.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -51.7 | -45.4 | -175.1 | -24 | 28.9 | 0 | 0 | 0 | 115.3 | W984 W1002 F1023 N1027 E1028 L1029 | W984-P1025 HydrophobicContact CH2-CB 4.04Å; W984-P1025 HydrophobicContact CH2-CG 4.26Å; W984-P1025 HydrophobicContact CZ2-CB 4.11Å; W984-P1025 HydrophobicContact CZ2-CG 3.82Å; W984-P1025 HydrophobicContact CZ3-CB 4.32Å; W1002-P1025 HydrophobicContact CB-CG 3.77Å; W1002-P1025 HydrophobicContact CD2-CB 4.17Å; W1002-P1025 HydrophobicContact CD2-CG 3.76Å; W1002-P1025 HydrophobicContact CE3-CB 4.22Å; W1002-P1025 HydrophobicContact CE3-CG 4.07Å; W1002-P1025 HydrophobicContact CG-CG 3.63Å; F1023-P1025 HydrophobicContact CD2-CG 4.36Å; F1023-P1025 HydrophobicContact CE2-CB 4.47Å; F1023-P1025 HydrophobicContact CE2-CG 3.96Å; P1025-N1027 PolarHBondContact O-N 3.14Å; P1025-E1028 PolarHBondContact O-N 3.47Å; P1025-L1029 HydrophobicContact CB-CD1 3.96Å; P1025-L1029 VanDerWaalsContact O-CB 3.3Å; P1025-L1029 WeakPolarHBondContact O-CB 3.4Å; P1025-L1029 VanDerWaalsContact O-CD1 3.32Å; P1025-L1029 WeakPolarHBondContact O-CD1 3.19Å; P1025-L1029 WeakPolarHBondContact O-CG 3.31Å; P1025-L1029 PolarHBondContact O-N 3.43Å; P1025-L1029 VanDerWaalsContact O-N 3.08Å |
| 1026 | P | 65 | Low | 69.8 | Low | 24 Ų | 24 | 54.6 Ų | 54.6 | 16% | 0.156 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -35.5 | 178.5 | -28.5 | 37.8 | 0 | 0 | 0 | 114.7 | F717 F1023 D1024 E1028 L1029 | F717-P1026 HydrophobicContact CD1-CB 3.66Å; F717-P1026 HydrophobicContact CD1-CG 3.48Å; F717-P1026 VanDerWaalsContact CD1-CG 3.48Å; F717-P1026 HydrophobicContact CE1-CB 3.3Å; F717-P1026 HydrophobicContact CE1-CG 3.44Å; F717-P1026 VanDerWaalsContact CE1-CG 3.44Å; F717-P1026 HydrophobicContact CG-CB 4.44Å; F717-P1026 HydrophobicContact CZ-CB 3.79Å; F717-P1026 HydrophobicContact CZ-CG 4.4Å; F1023-P1026 HydrophobicContact CD1-CG 3.47Å; F1023-P1026 VanDerWaalsContact CD1-CG 3.47Å; F1023-P1026 HydrophobicContact CE1-CG 3.16Å; F1023-P1026 HydrophobicContact CE2-CG 4.4Å; F1023-P1026 HydrophobicContact CG-CG 4.23Å; F1023-P1026 HydrophobicContact CZ-CG 3.66Å; D1024-P1026 VanDerWaalsContact C-CD 3.49Å; P1026-E1028 PolarHBondContact O-N 3.31Å; P1026-L1029 PolarHBondContact O-N 2.89Å |
| 1027 | N | 61.8 | Low | 69.7 | Low | 16 Ų | 16 | 52.4 Ų | 52.4 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.8 | -15.2 | -178.7 | -67.3 | -31.6 | 0 | 0 | 0 | 111.8 | W709 H710 H714 D1024 P1025 | W709-N1027 PolarHBondContact NE1-O 2.92Å; H710-N1027 PolarHBondContact O-ND2 3.18Å; H710-N1027 VanDerWaalsContact O-ND2 3.09Å; H714-N1027 PolarHBondContact CD2-OD1 3.4Å; H714-N1027 PolarHBondContact NE2-OD1 2.94Å; D1024-N1027 WeakPolarHBondContact O-CB 3.45Å; D1024-N1027 PolarHBondContact O-N 3.06Å; P1025-N1027 PolarHBondContact O-N 3.14Å |
| 1028 | E | 61.3 | Low | 69.8 | Low | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -93.2 | -19.2 | 170.4 | -62.1 | -168.3 | -139.6 | 0 | 0 | 113.2 | T801 W1002 R1006 D1024 P1025 P1026 | T801-E1028 HydrophobicContact CG2-CB 3.96Å; T801-E1028 HydrophobicContact CG2-CG 4.19Å; W1002-E1028 HydrophobicContact CZ2-CB 4.37Å; W1002-E1028 WeakPolarHBondContact CZ2-OE2 3.49Å; W1002-E1028 PolarHBondContact NE1-OE1 3.04Å; R1006-E1028 IonicContact CZ-OE2 2.77Å; R1006-E1028 IonicContact NE-OE2 2.81Å; R1006-E1028 IonicContact NH1-OE2 3.09Å; R1006-E1028 IonicContact NH2-OE2 3.56Å; D1024-E1028 PolarHBondContact O-N 3.44Å; P1025-E1028 PolarHBondContact O-N 3.47Å; P1026-E1028 PolarHBondContact O-N 3.31Å |
| 1029 | L | 56.4 | Low | 69.9 | Low | 28 Ų | 28 | 45.2 Ų | 45.2 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | trans | -117.6 | 88.4 | -163.7 | -64.7 | 170.2 | 0 | 0 | 0 | 112.3 | T981 P1025 P1026 W1031 | T981-L1029 HydrophobicContact CG2-CD1 4.13Å; T981-L1029 HydrophobicContact CG2-CD2 3.45Å; T981-L1029 VanDerWaalsContact CG2-CD2 3.45Å; T981-L1029 HydrophobicContact CG2-CG 4.46Å; P1025-L1029 HydrophobicContact CB-CD1 3.96Å; P1025-L1029 VanDerWaalsContact O-CB 3.3Å; P1025-L1029 WeakPolarHBondContact O-CB 3.4Å; P1025-L1029 VanDerWaalsContact O-CD1 3.32Å; P1025-L1029 WeakPolarHBondContact O-CD1 3.19Å; P1025-L1029 WeakPolarHBondContact O-CG 3.31Å; P1025-L1029 PolarHBondContact O-N 3.43Å; P1025-L1029 VanDerWaalsContact O-N 3.08Å; P1026-L1029 PolarHBondContact O-N 2.89Å; L1029-W1031 HydrophobicContact CD2-CE3 4.01Å; L1029-W1031 HydrophobicContact CD2-CZ3 4.12Å; L1029-W1031 PolarHBondContact O-N 2.98Å | ||
| 1030 | A | 50.1 | Low | 70.3 | Confident | 100 Ų | 100 | 43.6 Ų | 43.6 | 83% | 0.826 | 24% | 0.239 | S | C | * | . | trans | -80.4 | 52.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1031 | W | 54.5 | Low | 71.1 | Confident | 83 Ų | 83 | 36 Ų | 36 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -124.7 | 141 | 179.8 | -69.5 | -26.3 | 0 | 0 | 0 | 112.3 | D978 T981 L1029 S1037 | D978-W1031 WeakPolarHBondContact OD1-CH2 3.4Å; T981-W1031 HydrophobicContact CG2-CE3 4.35Å; T981-W1031 HydrophobicContact CG2-CZ3 4.03Å; L1029-W1031 HydrophobicContact CD2-CE3 4.01Å; L1029-W1031 HydrophobicContact CD2-CZ3 4.12Å; L1029-W1031 PolarHBondContact O-N 2.98Å; W1031-S1037 WeakPolarHBondContact CZ3-OG 3.29Å |
| 1032 | P | 55.9 | Low | 72 | Confident | 49 Ų | 49 | 28.2 Ų | 28.2 | 32% | 0.318 | 16% | 0.162 | S | C | . | . | trans | -63.6 | 140.9 | 172.6 | 34.1 | -37.6 | 0 | 0 | 0 | 108.9 | T659 D1034 L1035 | T659-P1032 HydrophobicContact CG2-CB 4.19Å; P1032-D1034 WeakPolarHBondContact CB-OD1 3.25Å; P1032-D1034 WeakPolarHBondContact CG-OD1 3.29Å; P1032-D1034 PolarHBondContact O-N 3.49Å; P1032-D1034 VanDerWaalsContact O-N 3.11Å; P1032-L1035 HydrophobicContact CG-CB 4.34Å; P1032-L1035 PolarHBondContact O-N 3.09Å | ||
| 1033 | L | 54.7 | Low | 72.6 | Confident | 30 Ų | 30 | 27 Ų | 27 | 16% | 0.157 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.9 | -172.4 | -82 | 179.7 | 0 | 0 | 0 | 114.4 | L662 L721 A724 W744 | L662-L1033 HydrophobicContact CD1-CD1 3.23Å; L662-L1033 HydrophobicContact CD1-CG 4.04Å; L721-L1033 HydrophobicContact CD1-CD1 3.66Å; L721-L1033 HydrophobicContact CD1-CD2 3.21Å; L721-L1033 HydrophobicContact CD1-CG 4.04Å; A724-L1033 HydrophobicContact CB-CD1 3.4Å; W744-L1033 WeakPolarHBondContact CZ2-O 3.43Å |
| 1034 | D | 58 | Low | 73.2 | Confident | 91 Ų | 91 | 27.4 Ų | 27.4 | 49% | 0.487 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.2 | -173.5 | 59.5 | -14.2 | 0 | 0 | 0 | 113.6 | W744 P1032 | W744-D1034 PolarHBondContact NE1-O 3.21Å; W744-D1034 VanDerWaalsContact NE1-O 3.12Å; P1032-D1034 WeakPolarHBondContact CB-OD1 3.25Å; P1032-D1034 WeakPolarHBondContact CG-OD1 3.29Å; P1032-D1034 PolarHBondContact O-N 3.49Å; P1032-D1034 VanDerWaalsContact O-N 3.11Å |
| 1035 | L | 65.9 | Low | 73.8 | Confident | 61 Ų | 61 | 27.4 Ų | 27.4 | 32% | 0.319 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -107.1 | 112.6 | 179.1 | -160.1 | 69.1 | 0 | 0 | 0 | 112.4 | L927 K985 P1032 | L927-L1035 HydrophobicContact CD1-CD1 3.83Å; K985-L1035 PolarHBondContact NZ-O 3.12Å; P1032-L1035 HydrophobicContact CG-CB 4.34Å; P1032-L1035 PolarHBondContact O-N 3.09Å |
| 1036 | P | 74.4 | Confident | 74.5 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | trans | -69.2 | 142.5 | 171.4 | 26.4 | -33.9 | 0 | 0 | 0 | 111 | W744 Y748 M1038 H1039 | W744-P1036 HydrophobicContact CB-CG 3.99Å; W744-P1036 HydrophobicContact CD2-CB 4.07Å; W744-P1036 HydrophobicContact CD2-CG 4.01Å; W744-P1036 HydrophobicContact CE3-CB 4.1Å; W744-P1036 HydrophobicContact CG-CB 4.28Å; W744-P1036 HydrophobicContact CG-CG 3.75Å; Y748-P1036 HydrophobicContact CE2-CB 4.25Å; Y748-P1036 HydrophobicContact CE2-CG 3.49Å; Y748-P1036 VanDerWaalsContact CE2-CG 3.49Å; Y748-P1036 PolarHBondContact OH-O 3.12Å; P1036-M1038 PolarHBondContact O-N 3.46Å; P1036-H1039 PolarHBondContact O-CE1 2.72Å; P1036-H1039 PolarHBondContact O-ND1 3.18Å | ||
| 1037 | S | 81 | Confident | 75.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.2 | -177.3 | -27.7 | 0 | 0 | 0 | 0 | 113.2 | T981 D982 W1031 H1039 S1040 F1041 | T981-S1037 VanDerWaalsContact CG2-OG 3.3Å; T981-S1037 WeakPolarHBondContact CG2-OG 3.38Å; D982-S1037 VanDerWaalsContact CG-N 3.26Å; D982-S1037 VanDerWaalsContact OD1-CB 3.23Å; D982-S1037 WeakPolarHBondContact OD1-CB 3.41Å; D982-S1037 PolarHBondContact OD1-N 3.29Å; D982-S1037 PolarHBondContact OD1-OG 3.31Å; D982-S1037 PolarHBondContact OD2-N 3.43Å; W1031-S1037 WeakPolarHBondContact CZ3-OG 3.29Å; S1037-H1039 PolarHBondContact O-N 3.29Å; S1037-H1039 VanDerWaalsContact O-N 3.15Å; S1037-S1040 VanDerWaalsContact O-CB 3.31Å; S1037-S1040 WeakPolarHBondContact O-CB 3.42Å; S1037-S1040 PolarHBondContact O-N 3.19Å; S1037-F1041 PolarHBondContact O-N 3.11Å |
| 1038 | M | 86.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.4 | -26.5 | -175.7 | -152.3 | 55.6 | 53.5 | 0 | 0 | 113.3 | Y748 L753 A757 D982 W986 P1036 S1040 F1041 L1042 | Y748-M1038 HydrophobicContact CE2-CB 4.11Å; L753-M1038 HydrophobicContact CD1-CG 3.87Å; L753-M1038 HydrophobicContact CD2-CB 4.45Å; L753-M1038 HydrophobicContact CD2-CG 4Å; L753-M1038 HydrophobicContact CG-CG 4.02Å; A757-M1038 HydrophobicContact CB-CE 4.12Å; A757-M1038 HydrophobicContact CB-SD 3.55Å; A757-M1038 VanDerWaalsContact CB-SD 3.55Å; D982-M1038 HydrophobicContact CB-CE 3.43Å; D982-M1038 VanDerWaalsContact CB-CE 3.43Å; D982-M1038 WeakPolarHBondContact OD2-CA 3.37Å; D982-M1038 VanDerWaalsContact OD2-CB 3.31Å; D982-M1038 WeakPolarHBondContact OD2-CB 3.46Å; D982-M1038 WeakPolarHBondContact OD2-CE 3.3Å; D982-M1038 PolarHBondContact OD2-N 2.94Å; W986-M1038 HydrophobicContact CH2-CE 3.45Å; W986-M1038 VanDerWaalsContact CH2-CE 3.45Å; W986-M1038 HydrophobicContact CZ2-CE 4.14Å; W986-M1038 HydrophobicContact CZ3-CE 4.02Å; P1036-M1038 PolarHBondContact O-N 3.46Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 2.91Å; M1038-F1041 PolarHBondContact O-N 3.35Å; M1038-F1041 HydrophobicContact SD-CB 4.11Å; M1038-F1041 HydrophobicContact SD-CD1 3.66Å; M1038-F1041 HydrophobicContact SD-CG 4.19Å; M1038-L1042 HydrophobicContact CG-CD1 3.94Å; M1038-L1042 HydrophobicContact CG-CG 4.03Å; M1038-L1042 WeakPolarHBondContact O-CB 3.43Å; M1038-L1042 WeakPolarHBondContact O-CG 3.49Å; M1038-L1042 PolarHBondContact O-N 3.39Å; M1038-L1042 HydrophobicContact SD-CG 4.42Å |
| 1039 | H | 87.2 | Confident | 79.1 | Confident | 23 Ų | 23 | 26.4 Ų | 26.4 | 11% | 0.106 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 173 | 66.8 | -77.6 | 0 | 0 | 0 | 110.9 | Y748 L927 A928 P1036 S1037 G1043 | Y748-H1039 HydrophobicContact CE1-CB 4.05Å; Y748-H1039 WeakPolarHBondContact OH-CB 3.43Å; Y748-H1039 PolarHBondContact OH-N 3.01Å; L927-H1039 HydrophobicContact CB-CB 3.74Å; A928-H1039 WeakPolarHBondContact CA-O 3.3Å; A928-H1039 WeakPolarHBondContact CB-O 3.41Å; P1036-H1039 PolarHBondContact O-CE1 2.72Å; P1036-H1039 PolarHBondContact O-ND1 3.18Å; S1037-H1039 PolarHBondContact O-N 3.29Å; S1037-H1039 VanDerWaalsContact O-N 3.15Å; H1039-G1043 WeakPolarHBondContact O-CA 3.27Å; H1039-G1043 PolarHBondContact O-N 2.99Å |
| 1040 | S | 88.4 | Confident | 80.9 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 8% | 0.077 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.9 | -46.2 | 178.5 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | D978 S1037 M1038 G1043 K1044 | D978-S1040 WeakPolarHBondContact OD2-CB 3.45Å; D978-S1040 PolarHBondContact OD2-OG 3.29Å; S1037-S1040 VanDerWaalsContact O-CB 3.31Å; S1037-S1040 WeakPolarHBondContact O-CB 3.42Å; S1037-S1040 PolarHBondContact O-N 3.19Å; M1038-S1040 VanDerWaalsContact C-N 3.28Å; M1038-S1040 PolarHBondContact O-N 2.91Å; S1040-G1043 PolarHBondContact O-N 3.4Å; S1040-K1044 VanDerWaalsContact O-CB 3.3Å; S1040-K1044 WeakPolarHBondContact O-CB 3.05Å; S1040-K1044 VanDerWaalsContact O-CG 3.28Å; S1040-K1044 WeakPolarHBondContact O-CG 3.34Å; S1040-K1044 PolarHBondContact O-N 3.09Å; S1040-K1044 PolarHBondContact OG-NZ 2.93Å |
| 1041 | F | 93.1 | Very high | 83 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.4 | -54.3 | 177.2 | 178 | -102.8 | 0 | 0 | 0 | 112.4 | A757 L760 W761 L975 D978 H979 S1037 M1038 I1045 | A757-F1041 HydrophobicContact CB-CD1 4.35Å; A757-F1041 HydrophobicContact CB-CE1 4.01Å; L760-F1041 HydrophobicContact CB-CE1 4.16Å; L760-F1041 HydrophobicContact CB-CZ 4.19Å; L760-F1041 HydrophobicContact CD1-CE1 4.38Å; W761-F1041 HydrophobicContact CB-CZ 4.23Å; W761-F1041 HydrophobicContact CE3-CE2 4.18Å; L975-F1041 HydrophobicContact CD2-CD2 3.78Å; L975-F1041 HydrophobicContact CD2-CE2 4.18Å; L975-F1041 WeakPolarHBondContact O-CD2 2.87Å; D978-F1041 HydrophobicContact CB-CB 3.94Å; H979-F1041 HydrophobicContact CB-CD2 3.99Å; H979-F1041 HydrophobicContact CB-CE2 3.93Å; S1037-F1041 PolarHBondContact O-N 3.11Å; M1038-F1041 PolarHBondContact O-N 3.35Å; M1038-F1041 HydrophobicContact SD-CB 4.11Å; M1038-F1041 HydrophobicContact SD-CD1 3.66Å; M1038-F1041 HydrophobicContact SD-CG 4.19Å; F1041-I1045 HydrophobicContact CD1-CD1 4.34Å; F1041-I1045 HydrophobicContact CE1-CD1 3.84Å; F1041-I1045 HydrophobicContact CE2-CD1 4.31Å; F1041-I1045 HydrophobicContact CZ-CD1 3.83Å; F1041-I1045 WeakPolarHBondContact O-CG1 3.24Å; F1041-I1045 PolarHBondContact O-N 3.27Å |
| 1042 | L | 93.4 | Very high | 84.9 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.1 | -37.5 | -179.3 | -64.5 | 178.3 | 0 | 0 | 0 | 111.7 | M750 L753 L760 A928 M1038 I1045 M1046 I1104 | M750-L1042 HydrophobicContact CE-CD1 4.33Å; M750-L1042 HydrophobicContact SD-CD1 3.82Å; L753-L1042 HydrophobicContact CD1-CD1 3.97Å; L760-L1042 HydrophobicContact CD1-CD2 3.7Å; A928-L1042 HydrophobicContact CB-CB 3.66Å; A928-L1042 HydrophobicContact CB-CD1 4.49Å; M1038-L1042 HydrophobicContact CG-CD1 3.94Å; M1038-L1042 HydrophobicContact CG-CG 4.03Å; M1038-L1042 WeakPolarHBondContact O-CB 3.43Å; M1038-L1042 WeakPolarHBondContact O-CG 3.49Å; M1038-L1042 PolarHBondContact O-N 3.39Å; M1038-L1042 HydrophobicContact SD-CG 4.42Å; L1042-I1045 PolarHBondContact O-N 2.91Å; L1042-M1046 HydrophobicContact CB-CE 4.07Å; L1042-M1046 WeakPolarHBondContact O-CB 3.42Å; L1042-M1046 WeakPolarHBondContact O-CG 3.42Å; L1042-M1046 PolarHBondContact O-N 3.37Å; L1042-I1104 HydrophobicContact CB-CD1 4.36Å; L1042-I1104 HydrophobicContact CD1-CD1 4.28Å; L1042-I1104 HydrophobicContact CD2-CD1 3.89Å; L1042-I1104 HydrophobicContact CG-CD1 4.41Å |
| 1043 | G | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A928 A932 H1039 S1040 I1045 M1046 Q1047 | A928-G1043 WeakPolarHBondContact O-CA 3.47Å; A932-G1043 WeakPolarHBondContact CA-O 3.42Å; H1039-G1043 WeakPolarHBondContact O-CA 3.27Å; H1039-G1043 PolarHBondContact O-N 2.99Å; S1040-G1043 PolarHBondContact O-N 3.4Å; G1043-I1045 PolarHBondContact O-N 2.76Å; G1043-M1046 PolarHBondContact O-N 3.07Å; G1043-Q1047 PolarHBondContact O-N 2.86Å |
| 1044 | K | 94.4 | Very high | 88.5 | Confident | 41 Ų | 41 | 16.8 Ų | 16.8 | 18% | 0.178 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -23.8 | 175.2 | -78.4 | 178.8 | 175.9 | 102.8 | 0 | 113.9 | L971 L975 D978 S1040 Q1047 F1048 | L971-K1044 HydrophobicContact CD1-CB 4.1Å; L971-K1044 HydrophobicContact CD1-CD 3.94Å; L971-K1044 HydrophobicContact CD1-CG 4.13Å; L975-K1044 HydrophobicContact CD2-CB 3.59Å; L975-K1044 HydrophobicContact CD2-CD 3.91Å; L975-K1044 HydrophobicContact CD2-CG 4.43Å; L975-K1044 HydrophobicContact CG-CB 4.27Å; L975-K1044 HydrophobicContact CG-CD 4.04Å; D978-K1044 IonicContact OD2-NZ 2.86Å; D978-K1044 PolarHBondContact OD2-NZ 3.35Å; S1040-K1044 VanDerWaalsContact O-CB 3.3Å; S1040-K1044 WeakPolarHBondContact O-CB 3.05Å; S1040-K1044 VanDerWaalsContact O-CG 3.28Å; S1040-K1044 WeakPolarHBondContact O-CG 3.34Å; S1040-K1044 PolarHBondContact O-N 3.09Å; S1040-K1044 PolarHBondContact OG-NZ 2.93Å; K1044-Q1047 VanDerWaalsContact O-CG 3.31Å; K1044-Q1047 WeakPolarHBondContact O-CG 3.49Å; K1044-F1048 WeakPolarHBondContact O-CD2 3.35Å; K1044-F1048 VanDerWaalsContact O-CE2 3.28Å; K1044-F1048 WeakPolarHBondContact O-CE2 3.3Å |
| 1045 | I | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -83.2 | -48.9 | 172.7 | -63.1 | 169.2 | 0 | 0 | 0 | 110 | L760 I764 L975 F1041 L1042 G1043 Q1047 F1048 I1104 S1105 V1106 | L760-I1045 HydrophobicContact CB-CD1 4.01Å; L760-I1045 HydrophobicContact CD1-CD1 4.13Å; I764-I1045 HydrophobicContact CD1-CD1 3.95Å; I764-I1045 HydrophobicContact CD1-CG1 4.19Å; L975-I1045 HydrophobicContact CD2-CG1 4.28Å; F1041-I1045 HydrophobicContact CD1-CD1 4.34Å; F1041-I1045 HydrophobicContact CE1-CD1 3.84Å; F1041-I1045 HydrophobicContact CE2-CD1 4.31Å; F1041-I1045 HydrophobicContact CZ-CD1 3.83Å; F1041-I1045 WeakPolarHBondContact O-CG1 3.24Å; F1041-I1045 PolarHBondContact O-N 3.27Å; L1042-I1045 PolarHBondContact O-N 2.91Å; G1043-I1045 PolarHBondContact O-N 2.76Å; I1045-Q1047 VanDerWaalsContact C-N 3.28Å; I1045-Q1047 PolarHBondContact O-N 2.73Å; I1045-F1048 PolarHBondContact O-N 3.36Å; I1045-I1104 HydrophobicContact CB-CG2 4.33Å; I1045-I1104 HydrophobicContact CG2-CG2 3.75Å; I1045-S1105 WeakPolarHBondContact CG2-O 3.47Å; I1045-V1106 HydrophobicContact CG2-CG2 4.25Å |
| 1046 | M | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.1 | -31.5 | -178.4 | -76 | -171.9 | -71.2 | 0 | 0 | 113.3 | A928 L929 A932 L1042 G1043 F1048 Q1049 I1050 L1095 I1104 | A928-M1046 HydrophobicContact CB-CE 3.28Å; L929-M1046 HydrophobicContact CD2-CE 4.41Å; L929-M1046 HydrophobicContact CD2-SD 3.99Å; L929-M1046 HydrophobicContact CG-CE 4.48Å; A932-M1046 HydrophobicContact CB-CB 3.63Å; L1042-M1046 HydrophobicContact CB-CE 4.07Å; L1042-M1046 WeakPolarHBondContact O-CB 3.42Å; L1042-M1046 WeakPolarHBondContact O-CG 3.42Å; L1042-M1046 PolarHBondContact O-N 3.37Å; G1043-M1046 PolarHBondContact O-N 3.07Å; M1046-F1048 PolarHBondContact O-N 3.12Å; M1046-Q1049 WeakPolarHBondContact O-CB 3.31Å; M1046-Q1049 PolarHBondContact O-N 2.99Å; M1046-I1050 WeakPolarHBondContact O-CG1 3.42Å; M1046-I1050 PolarHBondContact O-N 3.29Å; M1046-L1095 HydrophobicContact CG-CD1 4.32Å; M1046-L1095 HydrophobicContact CG-CD2 4.43Å; M1046-L1095 HydrophobicContact SD-CD1 3.97Å; M1046-L1095 HydrophobicContact SD-CD2 3.89Å; M1046-I1104 HydrophobicContact CE-CD1 4.37Å; M1046-I1104 HydrophobicContact CG-CD1 4.32Å; M1046-I1104 HydrophobicContact CG-CG1 4.04Å; M1046-I1104 HydrophobicContact CG-CG2 4.05Å; M1046-I1104 HydrophobicContact SD-CD1 3.99Å; M1046-I1104 HydrophobicContact SD-CG1 3.97Å |
| 1047 | Q | 94.9 | Very high | 92 | Very high | 21 Ų | 21 | 16.4 Ų | 16.4 | 10% | 0.098 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.4 | -36.4 | 178.2 | 76.6 | -175.8 | 37.1 | 0 | 0 | 112.3 | A932 G935 L939 G1043 K1044 I1045 F1051 | A932-Q1047 WeakPolarHBondContact O-CA 3.32Å; A932-Q1047 VanDerWaalsContact O-CB 3.26Å; A932-Q1047 WeakPolarHBondContact O-CB 3.09Å; G935-Q1047 VanDerWaalsContact CA-OE1 3.29Å; L939-Q1047 HydrophobicContact CD1-CG 4.1Å; G1043-Q1047 PolarHBondContact O-N 2.86Å; K1044-Q1047 VanDerWaalsContact O-CG 3.31Å; K1044-Q1047 WeakPolarHBondContact O-CG 3.49Å; I1045-Q1047 VanDerWaalsContact C-N 3.28Å; I1045-Q1047 PolarHBondContact O-N 2.73Å; Q1047-F1051 VanDerWaalsContact O-CB 3.27Å; Q1047-F1051 WeakPolarHBondContact O-CB 3.3Å; Q1047-F1051 PolarHBondContact O-N 3.02Å |
| 1048 | F | 95.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -76.5 | -33.3 | 179 | -67.3 | -82.7 | 0 | 0 | 0 | 111.9 | L939 L971 K1044 I1045 M1046 F1051 Q1052 P1108 L1109 Y1112 F1113 | L939-F1048 HydrophobicContact CD1-CD1 3.89Å; L939-F1048 HydrophobicContact CD1-CE1 3.79Å; L939-F1048 HydrophobicContact CD1-CG 4.46Å; L939-F1048 HydrophobicContact CD1-CZ 4.26Å; L939-F1048 HydrophobicContact CD2-CE1 4.01Å; L939-F1048 HydrophobicContact CD2-CZ 4.3Å; L971-F1048 HydrophobicContact CD1-CE2 4.32Å; L971-F1048 HydrophobicContact CD2-CE2 3.61Å; L971-F1048 HydrophobicContact CD2-CZ 3.56Å; K1044-F1048 WeakPolarHBondContact O-CD2 3.35Å; K1044-F1048 VanDerWaalsContact O-CE2 3.28Å; K1044-F1048 WeakPolarHBondContact O-CE2 3.3Å; I1045-F1048 PolarHBondContact O-N 3.36Å; M1046-F1048 PolarHBondContact O-N 3.12Å; F1048-F1051 PolarHBondContact O-N 3.17Å; F1048-Q1052 WeakPolarHBondContact O-CB 3.47Å; F1048-Q1052 PolarHBondContact O-N 3.47Å; F1048-P1108 HydrophobicContact CB-CB 4.16Å; F1048-P1108 WeakPolarHBondContact O-CB 3.42Å; F1048-L1109 HydrophobicContact CB-CB 4.08Å; F1048-L1109 HydrophobicContact CD2-CB 3.81Å; F1048-L1109 HydrophobicContact CD2-CD1 3.85Å; F1048-L1109 HydrophobicContact CD2-CG 3.85Å; F1048-L1109 HydrophobicContact CE2-CB 4.42Å; F1048-L1109 HydrophobicContact CE2-CD1 3.86Å; F1048-L1109 HydrophobicContact CE2-CG 3.95Å; F1048-L1109 HydrophobicContact CG-CB 3.89Å; F1048-L1109 HydrophobicContact CG-CG 4.27Å; F1048-L1109 HydrophobicContact CZ-CG 4.44Å; F1048-Y1112 HydrophobicContact CD1-CD1 4.36Å; F1048-Y1112 HydrophobicContact CD1-CD2 4.1Å; F1048-Y1112 AromaticContact CD1-CG 3.85Å; F1048-Y1112 HydrophobicContact CD1-CG 3.85Å; F1048-Y1112 AromaticContact CE1-CD1 3.78Å; F1048-Y1112 HydrophobicContact CE1-CD1 3.78Å; F1048-Y1112 HydrophobicContact CE1-CD2 4.12Å; F1048-Y1112 HydrophobicContact CE1-CE1 4.24Å; F1048-Y1112 AromaticContact CE1-CG 3.73Å; F1048-Y1112 HydrophobicContact CE1-CG 3.73Å; F1048-F1113 AromaticContact CE1-CE2 3.89Å; F1048-F1113 HydrophobicContact CE1-CE2 3.89Å; F1048-F1113 AromaticContact CZ-CE2 3.77Å; F1048-F1113 HydrophobicContact CZ-CE2 3.77Å; F1048-F1113 HydrophobicContact CZ-CZ 4.43Å |
| 1049 | Q | 94.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 173.7 | -53.7 | -171.6 | -94.3 | 0 | 0 | 111.2 | M1046 H1053 A1099 A1103 S1105 P1108 | M1046-Q1049 WeakPolarHBondContact O-CB 3.31Å; M1046-Q1049 PolarHBondContact O-N 2.99Å; Q1049-H1053 PolarHBondContact O-N 3.25Å; Q1049-A1099 HydrophobicContact CB-CB 4.17Å; Q1049-A1103 PolarHBondContact NE2-O 2.82Å; Q1049-S1105 WeakPolarHBondContact CG-O 3.3Å; Q1049-S1105 VanDerWaalsContact NE2-CB 3.26Å; Q1049-S1105 VanDerWaalsContact OE1-N 3.16Å; Q1049-P1108 HydrophobicContact CB-CG 4.31Å; Q1049-P1108 HydrophobicContact CG-CB 4.42Å; Q1049-P1108 HydrophobicContact CG-CG 3.9Å |
| 1050 | I | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 175.1 | -63.1 | 171.5 | 0 | 0 | 0 | 109.2 | A932 I933 F936 M1046 Q1052 H1053 M1054 L1095 V1098 A1099 | A932-I1050 HydrophobicContact CB-CD1 3.8Å; I933-I1050 HydrophobicContact CD1-CD1 3.87Å; F936-I1050 HydrophobicContact CB-CG2 4.28Å; F936-I1050 HydrophobicContact CD2-CB 4.45Å; F936-I1050 HydrophobicContact CD2-CG2 3.79Å; F936-I1050 HydrophobicContact CE2-CG2 4.28Å; F936-I1050 HydrophobicContact CG-CG2 3.93Å; M1046-I1050 WeakPolarHBondContact O-CG1 3.42Å; M1046-I1050 PolarHBondContact O-N 3.29Å; I1050-Q1052 PolarHBondContact O-N 3.09Å; I1050-H1053 PolarHBondContact O-N 3.49Å; I1050-M1054 HydrophobicContact CG2-CE 4.28Å; I1050-M1054 HydrophobicContact CG2-CG 4.17Å; I1050-M1054 WeakPolarHBondContact O-CB 3.42Å; I1050-M1054 VanDerWaalsContact O-CG 3.23Å; I1050-M1054 WeakPolarHBondContact O-CG 3.27Å; I1050-M1054 PolarHBondContact O-N 3.49Å; I1050-L1095 HydrophobicContact CG1-CD1 4.49Å; I1050-V1098 HydrophobicContact CD1-CG2 4.05Å; I1050-V1098 HydrophobicContact CG1-CB 4.45Å; I1050-V1098 HydrophobicContact CG1-CG2 3.94Å; I1050-V1098 HydrophobicContact CG2-CB 4.43Å; I1050-A1099 HydrophobicContact CG1-CB 4.44Å |
| 1051 | F | 94 | Very high | 91.9 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 178.8 | -169.4 | -96.9 | 0 | 0 | 0 | 112.2 | F936 L939 V940 Q1047 F1048 H1053 M1054 C1055 L1064 C1067 L1069 Y1112 | F936-F1051 HydrophobicContact CD2-CB 4Å; F936-F1051 AromaticContact CD2-CD2 3.91Å; F936-F1051 HydrophobicContact CD2-CD2 3.91Å; F936-F1051 HydrophobicContact CD2-CG 4.45Å; F936-F1051 HydrophobicContact CE2-CB 4.49Å; F936-F1051 HydrophobicContact CE2-CD2 4Å; L939-F1051 HydrophobicContact CB-CD2 3.84Å; L939-F1051 HydrophobicContact CB-CE2 3.92Å; L939-F1051 HydrophobicContact CD1-CB 4.18Å; L939-F1051 HydrophobicContact CD1-CD2 4.28Å; L939-F1051 HydrophobicContact CD1-CG 4.19Å; V940-F1051 HydrophobicContact CG2-CD2 4.04Å; V940-F1051 HydrophobicContact CG2-CE2 3.77Å; Q1047-F1051 VanDerWaalsContact O-CB 3.27Å; Q1047-F1051 WeakPolarHBondContact O-CB 3.3Å; Q1047-F1051 PolarHBondContact O-N 3.02Å; F1048-F1051 PolarHBondContact O-N 3.17Å; F1051-H1053 PolarHBondContact O-N 3.18Å; F1051-M1054 PolarHBondContact O-N 3.05Å; F1051-C1055 WeakPolarHBondContact O-CB 3.25Å; F1051-C1055 PolarHBondContact O-N 3.31Å; F1051-C1055 PolarHBondContact O-SG 3.21Å; F1051-L1064 HydrophobicContact CD1-CD1 3.78Å; F1051-L1064 HydrophobicContact CD1-CD2 4.29Å; F1051-L1064 HydrophobicContact CD1-CG 3.84Å; F1051-L1064 HydrophobicContact CE1-CD1 3.9Å; F1051-L1064 HydrophobicContact CE1-CG 3.96Å; F1051-L1064 WeakPolarHBondContact CE1-O 3.46Å; F1051-C1067 HydrophobicContact CE1-CB 3.99Å; F1051-C1067 HydrophobicContact CZ-CB 3.99Å; F1051-L1069 HydrophobicContact CD2-CD1 4.31Å; F1051-L1069 HydrophobicContact CE2-CD1 4.28Å; F1051-Y1112 HydrophobicContact CD1-CD2 4.17Å; F1051-Y1112 HydrophobicContact CD1-CE2 4.34Å; F1051-Y1112 HydrophobicContact CE1-CD2 4.06Å; F1051-Y1112 AromaticContact CE1-CE2 3.92Å; F1051-Y1112 HydrophobicContact CE1-CE2 3.92Å; F1051-Y1112 HydrophobicContact CZ-CE2 4.42Å |
| 1052 | Q | 93.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 31.6 Ų | 31.6 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.5 | -171.1 | -175.7 | 35.7 | 0 | 0 | 112.7 | F1048 I1050 M1054 C1055 N1056 L1064 P1108 D1111 | F1048-Q1052 WeakPolarHBondContact O-CB 3.47Å; F1048-Q1052 PolarHBondContact O-N 3.47Å; I1050-Q1052 PolarHBondContact O-N 3.09Å; Q1052-M1054 PolarHBondContact O-N 3.44Å; Q1052-C1055 PolarHBondContact O-N 3.01Å; Q1052-N1056 VanDerWaalsContact O-CG 3.24Å; Q1052-N1056 PolarHBondContact O-N 2.95Å; Q1052-N1056 PolarHBondContact O-ND2 3.49Å; Q1052-N1056 PolarHBondContact O-OD1 2.92Å; Q1052-L1064 HydrophobicContact CB-CD1 4.24Å; Q1052-L1064 HydrophobicContact CB-CD2 3.84Å; Q1052-L1064 HydrophobicContact CG-CD1 4.34Å; Q1052-L1064 HydrophobicContact CG-CD2 4.11Å; Q1052-P1108 HydrophobicContact CB-CB 4.05Å; Q1052-P1108 VanDerWaalsContact OE1-CB 3.3Å; Q1052-D1111 PolarHBondContact NE2-OD2 3.43Å; Q1052-D1111 VanDerWaalsContact NE2-OD2 3.16Å |
| 1053 | H | 93.9 | Very high | 91 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 178.6 | -175.9 | 68 | 0 | 0 | 0 | 111.9 | Q1049 I1050 F1051 C1055 N1056 L1057 V1098 | Q1049-H1053 PolarHBondContact O-N 3.25Å; I1050-H1053 PolarHBondContact O-N 3.49Å; F1051-H1053 PolarHBondContact O-N 3.18Å; H1053-C1055 VanDerWaalsContact C-N 3.34Å; H1053-C1055 PolarHBondContact O-N 2.83Å; H1053-N1056 PolarHBondContact O-N 3.3Å; H1053-L1057 WeakPolarHBondContact NE2-CD1 3.46Å; H1053-L1057 WeakPolarHBondContact O-CG 3.29Å; H1053-L1057 PolarHBondContact O-N 2.91Å; H1053-V1098 WeakPolarHBondContact CB-O 3.21Å; H1053-V1098 PolarHBondContact CD2-O 3.48Å |
| 1054 | M | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -34.3 | 178 | -64.2 | -61.5 | 175.8 | 0 | 0 | 112.3 | F936 I1050 F1051 Q1052 L1057 S1058 L1069 V1075 K1078 L1079 V1098 | F936-M1054 HydrophobicContact CE2-CB 3.95Å; F936-M1054 HydrophobicContact CE2-CG 3.86Å; F936-M1054 HydrophobicContact CZ-CB 4.29Å; F936-M1054 HydrophobicContact CZ-CG 4.03Å; I1050-M1054 HydrophobicContact CG2-CE 4.28Å; I1050-M1054 HydrophobicContact CG2-CG 4.17Å; I1050-M1054 WeakPolarHBondContact O-CB 3.42Å; I1050-M1054 VanDerWaalsContact O-CG 3.23Å; I1050-M1054 WeakPolarHBondContact O-CG 3.27Å; I1050-M1054 PolarHBondContact O-N 3.49Å; F1051-M1054 PolarHBondContact O-N 3.05Å; Q1052-M1054 PolarHBondContact O-N 3.44Å; M1054-L1057 PolarHBondContact O-N 3.34Å; M1054-L1057 HydrophobicContact SD-CD1 3.87Å; M1054-S1058 PolarHBondContact O-N 3.42Å; M1054-L1069 HydrophobicContact CB-CD1 3.57Å; M1054-L1069 HydrophobicContact CB-CD2 4.48Å; M1054-V1075 HydrophobicContact CB-CG1 4.23Å; M1054-V1075 HydrophobicContact CB-CG2 4.24Å; M1054-V1075 HydrophobicContact CG-CG1 4.1Å; M1054-V1075 HydrophobicContact SD-CB 4.32Å; M1054-V1075 HydrophobicContact SD-CG1 3.83Å; M1054-V1075 HydrophobicContact SD-CG2 4.31Å; M1054-K1078 HydrophobicContact CE-CB 4.24Å; M1054-K1078 HydrophobicContact CE-CG 4.21Å; M1054-K1078 HydrophobicContact SD-CB 4.48Å; M1054-L1079 HydrophobicContact CE-CD2 3.86Å; M1054-L1079 HydrophobicContact CE-CG 3.92Å; M1054-V1098 HydrophobicContact CE-CB 3.92Å; M1054-V1098 HydrophobicContact CE-CG1 4.01Å |
| 1055 | C | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.8 | -38.7 | 171.7 | -68.2 | 0 | 0 | 0 | 0 | 113 | F1051 Q1052 H1053 L1057 S1058 G1059 H1060 L1064 C1067 | F1051-C1055 WeakPolarHBondContact O-CB 3.25Å; F1051-C1055 PolarHBondContact O-N 3.31Å; F1051-C1055 PolarHBondContact O-SG 3.21Å; Q1052-C1055 PolarHBondContact O-N 3.01Å; H1053-C1055 VanDerWaalsContact C-N 3.34Å; H1053-C1055 PolarHBondContact O-N 2.83Å; C1055-L1057 VanDerWaalsContact C-N 3.34Å; C1055-S1058 PolarHBondContact O-N 3.44Å; C1055-S1058 PolarHBondContact O-OG 2.86Å; C1055-G1059 PolarHBondContact O-N 3.08Å; C1055-H1060 HydrophobicContact CB-CB 4.24Å; C1055-H1060 WeakPolarHBondContact O-CB 3.17Å; C1055-H1060 PolarHBondContact O-N 3.13Å; C1055-L1064 HydrophobicContact CB-CD1 3.78Å; C1055-C1067 WeakPolarHBondContact CA-SG 3.32Å; C1055-C1067 HydrophobicContact CB-CB 3.88Å; C1055-C1067 WeakPolarHBondContact CB-SG 3.43Å; C1055-C1067 WeakPolarHBondContact SG-CB 3.39Å; C1055-C1067 CovalentContact SG-SG 2.02Å; C1055-C1067 PolarHBondContact SG-SG 3.27Å |
| 1056 | N | 90.6 | Very high | 89.9 | Confident | 106 Ų | 106 | 37.2 Ų | 37.2 | 57% | 0.567 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.3 | -39 | 173 | -66.8 | -14.7 | 0 | 0 | 0 | 111.1 | Q1052 H1053 S1058 G1059 | Q1052-N1056 VanDerWaalsContact O-CG 3.24Å; Q1052-N1056 PolarHBondContact O-N 2.95Å; Q1052-N1056 PolarHBondContact O-ND2 3.49Å; Q1052-N1056 PolarHBondContact O-OD1 2.92Å; H1053-N1056 PolarHBondContact O-N 3.3Å; N1056-S1058 VanDerWaalsContact C-N 3.33Å; N1056-S1058 PolarHBondContact O-N 3.46Å; N1056-G1059 PolarHBondContact O-N 2.83Å |
| 1057 | L | 89.2 | Confident | 89.5 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 22% | 0.22 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -31.8 | 175.5 | -76.2 | 174.4 | 0 | 0 | 0 | 113.3 | H1053 M1054 C1055 G1059 K1078 | H1053-L1057 WeakPolarHBondContact NE2-CD1 3.46Å; H1053-L1057 WeakPolarHBondContact O-CG 3.29Å; H1053-L1057 PolarHBondContact O-N 2.91Å; M1054-L1057 PolarHBondContact O-N 3.34Å; M1054-L1057 HydrophobicContact SD-CD1 3.87Å; C1055-L1057 VanDerWaalsContact C-N 3.34Å; L1057-G1059 VanDerWaalsContact C-N 3.28Å; L1057-K1078 HydrophobicContact CD1-CG 4.29Å |
| 1058 | S | 87.7 | Confident | 89 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78 | -11.6 | 176 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | M1054 C1055 N1056 N1072 | M1054-S1058 PolarHBondContact O-N 3.42Å; C1055-S1058 PolarHBondContact O-N 3.44Å; C1055-S1058 PolarHBondContact O-OG 2.86Å; N1056-S1058 VanDerWaalsContact C-N 3.33Å; N1056-S1058 PolarHBondContact O-N 3.46Å; S1058-N1072 WeakPolarHBondContact CB-ND2 3.18Å |
| 1059 | G | 85.2 | Confident | 88.6 | Confident | 56 Ų | 56 | 38.7 Ų | 38.7 | 58% | 0.577 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 19.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | C1055 N1056 L1057 V1061 | C1055-G1059 PolarHBondContact O-N 3.08Å; N1056-G1059 PolarHBondContact O-N 2.83Å; L1057-G1059 VanDerWaalsContact C-N 3.28Å; G1059-V1061 PolarHBondContact O-N 3.37Å |
| 1060 | H | 85.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 42 Ų | 42 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | trans | -63.1 | 132.2 | 177.3 | -179.3 | 71.6 | 0 | 0 | 0 | 111.4 | C1055 A1063 C1067 | C1055-H1060 HydrophobicContact CB-CB 4.24Å; C1055-H1060 WeakPolarHBondContact O-CB 3.17Å; C1055-H1060 PolarHBondContact O-N 3.13Å; H1060-A1063 PolarHBondContact NE2-O 3.46Å; H1060-C1067 HydrophobicContact CB-CB 4.4Å | ||
| 1061 | V | 81.6 | Confident | 87.7 | Confident | 142 Ų | 142 | 44 Ų | 44 | 86% | 0.861 | 28% | 0.275 | S | S | * | . | trans | -123.3 | 116.2 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | G1059 | G1059-V1061 PolarHBondContact O-N 3.37Š| ||
| 1062 | G | 83.6 | Confident | 87.5 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 140.8 | -165.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1064 | G1062-L1064 PolarHBondContact O-N 2.82Š|
| 1063 | A | 85 | Confident | 87.3 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | trans | -61.3 | 136.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | H1060 H1065 L1066 | H1060-A1063 PolarHBondContact NE2-O 3.46Å; A1063-H1065 VanDerWaalsContact C-N 3.34Å; A1063-H1065 WeakPolarHBondContact CB-CE1 3.26Å; A1063-H1065 PolarHBondContact O-N 2.99Å; A1063-L1066 HydrophobicContact CB-CD1 4.34Å; A1063-L1066 HydrophobicContact CB-CG 4.48Å; A1063-L1066 PolarHBondContact O-N 3.49Å; A1063-L1066 VanDerWaalsContact O-N 3.15Å | ||
| 1064 | L | 88.9 | Confident | 87.1 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.4 | -38.9 | -169.4 | -178.5 | 60.5 | 0 | 0 | 0 | 112.2 | F1051 Q1052 C1055 G1062 L1066 C1067 Y1112 | F1051-L1064 HydrophobicContact CD1-CD1 3.78Å; F1051-L1064 HydrophobicContact CD1-CD2 4.29Å; F1051-L1064 HydrophobicContact CD1-CG 3.84Å; F1051-L1064 HydrophobicContact CE1-CD1 3.9Å; F1051-L1064 HydrophobicContact CE1-CG 3.96Å; F1051-L1064 WeakPolarHBondContact CE1-O 3.46Å; Q1052-L1064 HydrophobicContact CB-CD1 4.24Å; Q1052-L1064 HydrophobicContact CB-CD2 3.84Å; Q1052-L1064 HydrophobicContact CG-CD1 4.34Å; Q1052-L1064 HydrophobicContact CG-CD2 4.11Å; C1055-L1064 HydrophobicContact CB-CD1 3.78Å; G1062-L1064 PolarHBondContact O-N 2.82Å; L1064-L1066 PolarHBondContact O-N 2.85Å; L1064-C1067 WeakPolarHBondContact O-CB 3.48Å; L1064-C1067 PolarHBondContact O-N 3.49Å; L1064-Y1112 HydrophobicContact CD2-CD2 4.38Å; L1064-Y1112 HydrophobicContact CG-CD2 4.12Å |
| 1065 | H | 85.8 | Confident | 86.9 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 6% | 0.06 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.3 | -12.4 | 178.5 | 70 | -83.9 | 0 | 0 | 0 | 115.4 | S960 L964 A1063 Y1112 | S960-H1065 WeakPolarHBondContact CB-NE2 3.37Å; L964-H1065 HydrophobicContact CD2-CB 3.85Å; A1063-H1065 VanDerWaalsContact C-N 3.34Å; A1063-H1065 WeakPolarHBondContact CB-CE1 3.26Å; A1063-H1065 PolarHBondContact O-N 2.99Å; H1065-Y1112 VanDerWaalsContact CA-CE2 3.45Å; H1065-Y1112 HydrophobicContact CB-CD1 4.22Å; H1065-Y1112 HydrophobicContact CB-CD2 4.02Å; H1065-Y1112 HydrophobicContact CB-CE1 3.87Å; H1065-Y1112 HydrophobicContact CB-CE2 3.67Å; H1065-Y1112 HydrophobicContact CB-CG 4.27Å |
| 1066 | L | 84.2 | Confident | 86.9 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -92.6 | -2.3 | 175 | -60.3 | 178 | 0 | 0 | 0 | 113.1 | A1063 L1064 N1068 | A1063-L1066 HydrophobicContact CB-CD1 4.34Å; A1063-L1066 HydrophobicContact CB-CG 4.48Å; A1063-L1066 PolarHBondContact O-N 3.49Å; A1063-L1066 VanDerWaalsContact O-N 3.15Å; L1064-L1066 PolarHBondContact O-N 2.85Å; L1066-N1068 PolarHBondContact O-N 3.26Å |
| 1067 | C | 87.2 | Confident | 87 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -67.5 | 125 | -179.5 | 174 | 0 | 0 | 0 | 0 | 111.7 | F1051 C1055 H1060 L1064 L1069 | F1051-C1067 HydrophobicContact CE1-CB 3.99Å; F1051-C1067 HydrophobicContact CZ-CB 3.99Å; C1055-C1067 WeakPolarHBondContact CA-SG 3.32Å; C1055-C1067 HydrophobicContact CB-CB 3.88Å; C1055-C1067 WeakPolarHBondContact CB-SG 3.43Å; C1055-C1067 WeakPolarHBondContact SG-CB 3.39Å; C1055-C1067 CovalentContact SG-SG 2.02Å; C1055-C1067 PolarHBondContact SG-SG 3.27Å; H1060-C1067 HydrophobicContact CB-CB 4.4Å; L1064-C1067 WeakPolarHBondContact O-CB 3.48Å; L1064-C1067 PolarHBondContact O-N 3.49Å; C1067-L1069 VanDerWaalsContact SG-CD2 3.56Å | ||
| 1068 | N | 83.7 | Confident | 87 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | trans | -106.3 | 121.1 | 174 | -177.4 | 5.4 | 0 | 0 | 0 | 110.3 | D945 L1066 R1070 | D945-N1068 HydrophobicContact CB-CB 4.16Å; D945-N1068 VanDerWaalsContact CB-ND2 3.33Å; D945-N1068 WeakPolarHBondContact CB-ND2 3.4Å; L1066-N1068 PolarHBondContact O-N 3.26Å; N1068-R1070 VanDerWaalsContact OD1-CB 3.3Å; N1068-R1070 WeakPolarHBondContact OD1-CB 3.45Å; N1068-R1070 PolarHBondContact OD1-N 3.14Å | ||
| 1069 | L | 87.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -107 | -2.6 | 179.5 | -59.9 | -179.6 | 0 | 0 | 0 | 113.3 | L848 F936 V940 F1051 M1054 C1067 G1071 N1072 V1075 | L848-L1069 WeakPolarHBondContact CD2-O 3.28Å; F936-L1069 HydrophobicContact CE2-CD1 3.54Å; F936-L1069 HydrophobicContact CZ-CD1 3.75Å; V940-L1069 HydrophobicContact CG1-CB 3.97Å; V940-L1069 HydrophobicContact CG2-CB 4.07Å; V940-L1069 HydrophobicContact CG2-CD1 3.83Å; V940-L1069 HydrophobicContact CG2-CG 4.32Å; F1051-L1069 HydrophobicContact CD2-CD1 4.31Å; F1051-L1069 HydrophobicContact CE2-CD1 4.28Å; M1054-L1069 HydrophobicContact CB-CD1 3.57Å; M1054-L1069 HydrophobicContact CB-CD2 4.48Å; C1067-L1069 VanDerWaalsContact SG-CD2 3.56Å; L1069-G1071 PolarHBondContact O-N 2.9Å; L1069-N1072 WeakPolarHBondContact O-CB 3.5Å; L1069-N1072 PolarHBondContact O-N 3.19Å; L1069-V1075 HydrophobicContact CD2-CG2 4.19Å | ||
| 1070 | R | 83.6 | Confident | 87.5 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 134.9 | -178.8 | -172.5 | 176.8 | -174.9 | 137.4 | 7.9 | 110.6 | F844 N1068 N1072 | F844-R1070 HydrophobicContact CD2-CG 4.39Å; N1068-R1070 VanDerWaalsContact OD1-CB 3.3Å; N1068-R1070 WeakPolarHBondContact OD1-CB 3.45Å; N1068-R1070 PolarHBondContact OD1-N 3.14Å; R1070-N1072 PolarHBondContact O-N 2.72Å |
| 1071 | G | 84.4 | Confident | 87.7 | Confident | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -3.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S847 L1069 K1073 | S847-G1071 CarbonylContact O-C 3.57Å; S847-G1071 VanDerWaalsContact O-C 3.27Å; S847-G1071 WeakPolarHBondContact O-CA 3.38Å; S847-G1071 PolarHBondContact OG-N 3.47Å; L1069-G1071 PolarHBondContact O-N 2.9Å; G1071-K1073 PolarHBondContact O-N 2.65Å |
| 1072 | N | 90.1 | Very high | 88.1 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | trans | -84.2 | 97.8 | -177.6 | -165.7 | -42.3 | 0 | 0 | 0 | 111.4 | S1058 L1069 R1070 R1074 V1075 G1076 | S1058-N1072 WeakPolarHBondContact CB-ND2 3.18Å; L1069-N1072 WeakPolarHBondContact O-CB 3.5Å; L1069-N1072 PolarHBondContact O-N 3.19Å; R1070-N1072 PolarHBondContact O-N 2.72Å; N1072-R1074 VanDerWaalsContact C-N 3.26Å; N1072-R1074 PolarHBondContact O-N 2.92Å; N1072-R1074 WeakPolarHBondContact OD1-CB 3.1Å; N1072-R1074 PolarHBondContact OD1-N 3.17Å; N1072-R1074 VanDerWaalsContact OD1-N 3.13Å; N1072-V1075 HydrophobicContact CB-CB 4.32Å; N1072-V1075 HydrophobicContact CB-CG2 3.95Å; N1072-V1075 WeakPolarHBondContact O-CB 3.5Å; N1072-V1075 PolarHBondContact O-N 2.77Å; N1072-V1075 PolarHBondContact OD1-N 3.16Å; N1072-G1076 PolarHBondContact O-N 3.2Å | ||
| 1073 | K | 90.6 | Very high | 88.5 | Confident | 134 Ų | 134 | 45.6 Ų | 45.6 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.4 | -30.5 | -179.3 | -66 | -174.2 | 178.8 | -177.3 | 0 | 114.3 | L848 G1071 V1075 G1076 E1077 | L848-K1073 WeakPolarHBondContact O-CA 3.37Å; G1071-K1073 PolarHBondContact O-N 2.65Å; K1073-V1075 VanDerWaalsContact C-N 3.28Å; K1073-V1075 PolarHBondContact O-N 3.05Å; K1073-G1076 PolarHBondContact O-N 3.24Å; K1073-E1077 WeakPolarHBondContact O-CG 3.42Å; K1073-E1077 PolarHBondContact O-N 3.33Å |
| 1074 | R | 89 | Confident | 88.8 | Confident | 151 Ų | 151 | 50.9 Ų | 50.9 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.6 | -34.6 | 178.7 | -166.6 | -179.1 | -173.8 | -173.7 | 4.5 | 111.8 | N1072 K1078 | N1072-R1074 VanDerWaalsContact C-N 3.26Å; N1072-R1074 PolarHBondContact O-N 2.92Å; N1072-R1074 WeakPolarHBondContact OD1-CB 3.1Å; N1072-R1074 PolarHBondContact OD1-N 3.17Å; N1072-R1074 VanDerWaalsContact OD1-N 3.13Å; R1074-K1078 PolarHBondContact O-N 3.21Å; R1074-K1078 VanDerWaalsContact O-N 3.12Å |
| 1075 | V | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -46 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 110 | F936 M1054 L1069 N1072 K1073 K1078 L1079 | F936-V1075 HydrophobicContact CZ-CG1 4.02Å; M1054-V1075 HydrophobicContact CB-CG1 4.23Å; M1054-V1075 HydrophobicContact CB-CG2 4.24Å; M1054-V1075 HydrophobicContact CG-CG1 4.1Å; M1054-V1075 HydrophobicContact SD-CB 4.32Å; M1054-V1075 HydrophobicContact SD-CG1 3.83Å; M1054-V1075 HydrophobicContact SD-CG2 4.31Å; L1069-V1075 HydrophobicContact CD2-CG2 4.19Å; N1072-V1075 HydrophobicContact CB-CB 4.32Å; N1072-V1075 HydrophobicContact CB-CG2 3.95Å; N1072-V1075 WeakPolarHBondContact O-CB 3.5Å; N1072-V1075 PolarHBondContact O-N 2.77Å; N1072-V1075 PolarHBondContact OD1-N 3.16Å; K1073-V1075 VanDerWaalsContact C-N 3.28Å; K1073-V1075 PolarHBondContact O-N 3.05Å; V1075-K1078 PolarHBondContact O-N 2.75Å; V1075-L1079 HydrophobicContact CG1-CD1 3.95Å; V1075-L1079 WeakPolarHBondContact O-CG 3.21Å; V1075-L1079 PolarHBondContact O-N 3.48Å |
| 1076 | G | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L848 M850 N1072 K1073 K1078 L1079 A1080 | L848-G1076 VanDerWaalsContact O-CA 3.26Å; L848-G1076 WeakPolarHBondContact O-CA 3.36Å; M850-G1076 WeakPolarHBondContact CE-O 3.12Å; N1072-G1076 PolarHBondContact O-N 3.2Å; K1073-G1076 PolarHBondContact O-N 3.24Å; G1076-K1078 VanDerWaalsContact C-N 3.34Å; G1076-K1078 PolarHBondContact O-N 3.2Å; G1076-L1079 PolarHBondContact O-N 3.5Å; G1076-A1080 VanDerWaalsContact O-CB 3.25Å; G1076-A1080 WeakPolarHBondContact O-CB 3.25Å; G1076-A1080 PolarHBondContact O-N 3.49Å |
| 1077 | E | 91.2 | Very high | 88.9 | Confident | 133 Ų | 133 | 47 Ų | 47 | 62% | 0.621 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -57.6 | -45.5 | 172.6 | -75.9 | 171.2 | -174.8 | 0 | 0 | 111.8 | K1073 A1080 E1081 | K1073-E1077 WeakPolarHBondContact O-CG 3.42Å; K1073-E1077 PolarHBondContact O-N 3.33Å; E1077-A1080 PolarHBondContact O-N 3.13Å; E1077-E1081 PolarHBondContact O-N 3.26Å |
| 1078 | K | 90 | Very high | 88.8 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -38.2 | -179.8 | -163.6 | 71 | -162.5 | 162.5 | 0 | 112.7 | M1054 L1057 R1074 V1075 G1076 E1081 M1097 | M1054-K1078 HydrophobicContact CE-CB 4.24Å; M1054-K1078 HydrophobicContact CE-CG 4.21Å; M1054-K1078 HydrophobicContact SD-CB 4.48Å; L1057-K1078 HydrophobicContact CD1-CG 4.29Å; R1074-K1078 PolarHBondContact O-N 3.21Å; R1074-K1078 VanDerWaalsContact O-N 3.12Å; V1075-K1078 PolarHBondContact O-N 2.75Å; G1076-K1078 VanDerWaalsContact C-N 3.34Å; G1076-K1078 PolarHBondContact O-N 3.2Å; K1078-E1081 WeakPolarHBondContact CE-OE2 3.42Å; K1078-E1081 IonicContact NZ-OE1 3.52Å; K1078-E1081 IonicContact NZ-OE2 3.15Å; K1078-E1081 PolarHBondContact NZ-OE2 3.47Å; K1078-M1097 WeakPolarHBondContact CE-O 3.33Å |
| 1079 | L | 91.2 | Very high | 88.9 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -52.6 | 171.3 | -73.2 | 167.8 | 0 | 0 | 0 | 109.9 | M850 I933 F936 M1054 V1075 G1076 E1081 M1082 L1083 V1098 | M850-L1079 HydrophobicContact CE-CB 3.53Å; M850-L1079 HydrophobicContact CE-CD1 4.31Å; I933-L1079 HydrophobicContact CD1-CD2 3.66Å; F936-L1079 HydrophobicContact CE1-CD1 3.7Å; F936-L1079 HydrophobicContact CE1-CD2 4.4Å; F936-L1079 HydrophobicContact CZ-CD1 4.33Å; M1054-L1079 HydrophobicContact CE-CD2 3.86Å; M1054-L1079 HydrophobicContact CE-CG 3.92Å; V1075-L1079 HydrophobicContact CG1-CD1 3.95Å; V1075-L1079 WeakPolarHBondContact O-CG 3.21Å; V1075-L1079 PolarHBondContact O-N 3.48Å; G1076-L1079 PolarHBondContact O-N 3.5Å; L1079-E1081 VanDerWaalsContact C-N 3.26Å; L1079-E1081 PolarHBondContact O-N 3.21Å; L1079-M1082 PolarHBondContact O-N 2.75Å; L1079-L1083 VanDerWaalsContact O-CG 3.28Å; L1079-L1083 WeakPolarHBondContact O-CG 3.22Å; L1079-L1083 PolarHBondContact O-N 2.69Å; L1079-V1098 HydrophobicContact CD2-CG1 4.41Å |
| 1080 | A | 91.7 | Very high | 88.9 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.2 | -38.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M850 H913 G1076 E1077 M1082 L1083 R1084 | M850-A1080 HydrophobicContact CE-CB 4.25Å; M850-A1080 HydrophobicContact SD-CB 4.11Å; H913-A1080 WeakPolarHBondContact NE2-CB 3.48Å; G1076-A1080 VanDerWaalsContact O-CB 3.25Å; G1076-A1080 WeakPolarHBondContact O-CB 3.25Å; G1076-A1080 PolarHBondContact O-N 3.49Å; E1077-A1080 PolarHBondContact O-N 3.13Å; A1080-M1082 VanDerWaalsContact C-N 3.32Å; A1080-M1082 PolarHBondContact O-N 2.84Å; A1080-L1083 PolarHBondContact O-N 3.22Å; A1080-R1084 WeakPolarHBondContact O-CB 3.34Å; A1080-R1084 WeakPolarHBondContact O-CG 3.49Å; A1080-R1084 PolarHBondContact O-N 2.84Å |
| 1081 | E | 90.1 | Very high | 89.1 | Confident | 90 Ų | 90 | 47.8 Ų | 47.8 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.4 | -44.7 | 174.6 | -171 | -173 | 164.2 | 0 | 0 | 112 | E1077 K1078 L1079 L1085 | E1077-E1081 PolarHBondContact O-N 3.26Å; K1078-E1081 WeakPolarHBondContact CE-OE2 3.42Å; K1078-E1081 IonicContact NZ-OE1 3.52Å; K1078-E1081 IonicContact NZ-OE2 3.15Å; K1078-E1081 PolarHBondContact NZ-OE2 3.47Å; L1079-E1081 VanDerWaalsContact C-N 3.26Å; L1079-E1081 PolarHBondContact O-N 3.21Å; E1081-L1085 WeakPolarHBondContact O-CG 3.3Å |
| 1082 | M | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.8 | -43.9 | 178.1 | -174.7 | -81.3 | -70.1 | 0 | 0 | 111.8 | Y910 I933 L1079 A1080 R1084 L1085 A1094 M1097 V1098 | Y910-M1082 HydrophobicContact CE1-SD 4.45Å; Y910-M1082 WeakPolarHBondContact OH-CE 3.45Å; Y910-M1082 PolarHBondContact OH-SD 3.47Å; I933-M1082 HydrophobicContact CD1-CE 3.61Å; I933-M1082 HydrophobicContact CG1-CE 3.88Å; L1079-M1082 PolarHBondContact O-N 2.75Å; A1080-M1082 VanDerWaalsContact C-N 3.32Å; A1080-M1082 PolarHBondContact O-N 2.84Å; M1082-R1084 VanDerWaalsContact C-N 3.3Å; M1082-R1084 PolarHBondContact O-N 2.89Å; M1082-L1085 WeakPolarHBondContact O-CB 3.46Å; M1082-L1085 PolarHBondContact O-N 3.45Å; M1082-A1094 HydrophobicContact CG-CB 4.08Å; M1082-M1097 HydrophobicContact CB-CB 4.41Å; M1082-V1098 HydrophobicContact CB-CG1 3.63Å; M1082-V1098 HydrophobicContact CE-CG1 4Å; M1082-V1098 HydrophobicContact CE-CG2 4.3Å; M1082-V1098 HydrophobicContact CG-CG1 3.95Å |
| 1083 | L | 91.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -39 | -178.9 | -61 | 180 | 0 | 0 | 0 | 112.2 | M850 Y910 H913 L1079 A1080 L1085 G1086 | M850-L1083 HydrophobicContact CE-CD1 4.15Å; Y910-L1083 HydrophobicContact CD1-CB 4.37Å; Y910-L1083 HydrophobicContact CD1-CD2 3.57Å; Y910-L1083 HydrophobicContact CD2-CD2 3.45Å; Y910-L1083 VanDerWaalsContact CD2-CD2 3.45Å; Y910-L1083 HydrophobicContact CE1-CD2 3.46Å; Y910-L1083 VanDerWaalsContact CE1-CD2 3.46Å; Y910-L1083 HydrophobicContact CE2-CD2 3.36Å; Y910-L1083 HydrophobicContact CG-CD2 3.57Å; H913-L1083 HydrophobicContact CB-CB 3.56Å; L1079-L1083 VanDerWaalsContact O-CG 3.28Å; L1079-L1083 WeakPolarHBondContact O-CG 3.22Å; L1079-L1083 PolarHBondContact O-N 2.69Å; A1080-L1083 PolarHBondContact O-N 3.22Å; L1083-L1085 PolarHBondContact O-N 3.23Å; L1083-G1086 PolarHBondContact O-N 2.8Å |
| 1084 | R | 90.5 | Very high | 89.1 | Confident | 150 Ų | 150 | 44.3 Ų | 44.3 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.8 | -179.8 | -75.2 | 171.5 | -164.6 | -179.5 | 7.7 | 114.4 | H913 Q917 A1080 M1082 G1086 | H913-R1084 HydrophobicContact CB-CG 4.09Å; H913-R1084 WeakPolarHBondContact O-CA 3.47Å; H913-R1084 WeakPolarHBondContact O-CG 3.12Å; Q917-R1084 WeakPolarHBondContact CG-O 3.45Å; Q917-R1084 PolarHBondContact NE2-O 2.94Å; A1080-R1084 WeakPolarHBondContact O-CB 3.34Å; A1080-R1084 WeakPolarHBondContact O-CG 3.49Å; A1080-R1084 PolarHBondContact O-N 2.84Å; M1082-R1084 VanDerWaalsContact C-N 3.3Å; M1082-R1084 PolarHBondContact O-N 2.89Å; R1084-G1086 VanDerWaalsContact C-N 3.3Å |
| 1085 | L | 87.4 | Confident | 89.1 | Confident | 40 Ų | 40 | 37.1 Ų | 37.1 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -24.3 | -177.6 | -61.1 | 172.4 | 0 | 0 | 0 | 111.6 | E1081 M1082 L1083 S1087 S1088 V1089 M1097 | E1081-L1085 WeakPolarHBondContact O-CG 3.3Å; M1082-L1085 WeakPolarHBondContact O-CB 3.46Å; M1082-L1085 PolarHBondContact O-N 3.45Å; L1083-L1085 PolarHBondContact O-N 3.23Å; L1085-S1087 PolarHBondContact O-N 2.88Å; L1085-S1088 VanDerWaalsContact O-CB 3.28Å; L1085-S1088 WeakPolarHBondContact O-CB 3.35Å; L1085-S1088 PolarHBondContact O-N 2.84Å; L1085-S1088 VanDerWaalsContact O-N 3.13Å; L1085-S1088 PolarHBondContact O-OG 3.33Å; L1085-V1089 HydrophobicContact CB-CG2 4.01Å; L1085-V1089 HydrophobicContact CD1-CG1 4.22Å; L1085-V1089 HydrophobicContact CD1-CG2 3.87Å; L1085-V1089 HydrophobicContact CD2-CG1 4.48Å; L1085-M1097 HydrophobicContact CD1-CE 3.54Å; L1085-M1097 HydrophobicContact CD1-SD 3.36Å; L1085-M1097 WeakPolarHBondContact CD1-SD 3.18Å |
| 1086 | G | 87.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | 46.7 | -130.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F921 Q923 P925 L1083 R1084 | F921-G1086 WeakPolarHBondContact O-CA 3.07Å; Q923-G1086 CarbonylContact O-C 3.17Å; Q923-G1086 VanDerWaalsContact O-CA 3.29Å; Q923-G1086 WeakPolarHBondContact O-CA 3.4Å; P925-G1086 VanDerWaalsContact CD-O 3.3Å; P925-G1086 WeakPolarHBondContact CD-O 3.48Å; P925-G1086 VanDerWaalsContact CG-O 3.22Å; P925-G1086 WeakPolarHBondContact CG-O 3.16Å; L1083-G1086 PolarHBondContact O-N 2.8Å; R1084-G1086 VanDerWaalsContact C-N 3.3Å |
| 1087 | S | 86.9 | Confident | 89 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -94 | 6.2 | -174.3 | 106.2 | 0 | 0 | 0 | 0 | 113.8 | R635 K639 V920 F921 Q923 L1085 V1089 | R635-S1087 PolarHBondContact NE-O 3.49Å; R635-S1087 PolarHBondContact NH2-O 3.44Å; K639-S1087 WeakPolarHBondContact CD-OG 3.47Å; K639-S1087 WeakPolarHBondContact CE-O 3.26Å; K639-S1087 WeakPolarHBondContact CE-OG 3.34Å; K639-S1087 PolarHBondContact NZ-O 2.8Å; K639-S1087 PolarHBondContact NZ-OG 3.45Å; V920-S1087 PolarHBondContact O-OG 3.41Å; F921-S1087 WeakPolarHBondContact CA-OG 3.25Å; F921-S1087 PolarHBondContact O-N 3.36Å; Q923-S1087 VanDerWaalsContact CG-CB 3.43Å; Q923-S1087 VanDerWaalsContact O-CB 3.29Å; Q923-S1087 WeakPolarHBondContact O-CB 3.44Å; Q923-S1087 PolarHBondContact O-N 3.23Å; L1085-S1087 PolarHBondContact O-N 2.88Å; S1087-V1089 PolarHBondContact O-N 2.89Å |
| 1088 | S | 86 | Confident | 88.9 | Confident | 29 Ų | 29 | 38 Ų | 38 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -66.2 | -20.9 | -177.1 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | R635 L1085 | R635-S1088 VanDerWaalsContact CD-O 3.24Å; R635-S1088 WeakPolarHBondContact CD-O 3.22Å; R635-S1088 PolarHBondContact NE-O 3.18Å; L1085-S1088 VanDerWaalsContact O-CB 3.28Å; L1085-S1088 WeakPolarHBondContact O-CB 3.35Å; L1085-S1088 PolarHBondContact O-N 2.84Å; L1085-S1088 VanDerWaalsContact O-N 3.13Å; L1085-S1088 PolarHBondContact O-OG 3.33Å |
| 1089 | V | 85 | Confident | 88.8 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -113.1 | 158 | 176 | -63 | 0 | 0 | 0 | 0 | 111.2 | R635 L1085 S1087 A1094 | R635-V1089 VanDerWaalsContact NH2-C 3.33Å; R635-V1089 PolarHBondContact NH2-O 2.84Å; L1085-V1089 HydrophobicContact CB-CG2 4.01Å; L1085-V1089 HydrophobicContact CD1-CG1 4.22Å; L1085-V1089 HydrophobicContact CD1-CG2 3.87Å; L1085-V1089 HydrophobicContact CD2-CG1 4.48Å; S1087-V1089 PolarHBondContact O-N 2.89Å; V1089-A1094 HydrophobicContact CG2-CB 4Å |
| 1090 | H | 86.8 | Confident | 88.2 | Confident | 63 Ų | 63 | 38.4 Ų | 38.4 | 29% | 0.292 | 19% | 0.187 | S | C | . | . | trans | -66.8 | 142.3 | 173 | -172.5 | -94.2 | 0 | 0 | 0 | 110.6 | E749 S1092 K1093 A1094 | E749-H1090 IonicContact OE2-CD2 3.77Å; E749-H1090 PolarHBondContact OE2-CD2 3.45Å; E749-H1090 IonicContact OE2-CG 3.35Å; E749-H1090 IonicContact OE2-NE2 3.39Å; H1090-S1092 VanDerWaalsContact C-N 3.29Å; H1090-S1092 PolarHBondContact ND1-N 3.44Å; H1090-S1092 PolarHBondContact ND1-OG 3.4Å; H1090-S1092 PolarHBondContact O-N 2.84Å; H1090-K1093 WeakPolarHBondContact O-CB 3.22Å; H1090-K1093 PolarHBondContact O-N 3.03Å; H1090-A1094 PolarHBondContact O-N 3.35Å | ||
| 1091 | W | 87.8 | Confident | 87.9 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -37.2 | -172.2 | 70.9 | -90.2 | 0 | 0 | 0 | 114.2 | E749 M750 P925 N926 L929 K1093 A1094 L1095 I1104 | E749-W1091 PolarHBondContact O-NE1 3.23Å; M750-W1091 HydrophobicContact CE-CH2 4.43Å; M750-W1091 HydrophobicContact CE-CZ2 4.3Å; M750-W1091 HydrophobicContact CG-CZ2 3.61Å; M750-W1091 HydrophobicContact SD-CH2 4.38Å; M750-W1091 HydrophobicContact SD-CZ2 3.98Å; P925-W1091 HydrophobicContact CB-CB 4.06Å; N926-W1091 HydrophobicContact CB-CB 3.5Å; N926-W1091 VanDerWaalsContact CB-CB 3.5Å; N926-W1091 HydrophobicContact CB-CG 4.05Å; L929-W1091 HydrophobicContact CD1-CB 4.13Å; W1091-K1093 VanDerWaalsContact C-N 3.29Å; W1091-K1093 PolarHBondContact O-N 2.99Å; W1091-A1094 PolarHBondContact O-N 3.16Å; W1091-L1095 HydrophobicContact CZ3-CD2 4.05Å; W1091-L1095 WeakPolarHBondContact O-CB 3.18Å; W1091-L1095 PolarHBondContact O-N 2.91Å; W1091-I1104 HydrophobicContact CH2-CD1 4.36Å; W1091-I1104 HydrophobicContact CH2-CG1 4.31Å; W1091-I1104 HydrophobicContact CZ3-CD1 4.21Å; W1091-I1104 HydrophobicContact CZ3-CG1 4.05Å |
| 1092 | S | 88.5 | Confident | 87.7 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -34.9 | 179.4 | 65.3 | 0 | 0 | 0 | 0 | 112.2 | H1090 K1096 | H1090-S1092 VanDerWaalsContact C-N 3.29Å; H1090-S1092 PolarHBondContact ND1-N 3.44Å; H1090-S1092 PolarHBondContact ND1-OG 3.4Å; H1090-S1092 PolarHBondContact O-N 2.84Å; S1092-K1096 WeakPolarHBondContact O-CB 3.4Å; S1092-K1096 PolarHBondContact O-N 3.01Å |
| 1093 | K | 87.8 | Confident | 87.5 | Confident | 127 Ų | 127 | 48.8 Ų | 48.8 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -70.5 | -39.9 | 174.6 | -66.7 | -176.2 | 179.6 | 179.2 | 0 | 111.1 | H1090 W1091 K1096 M1097 | H1090-K1093 WeakPolarHBondContact O-CB 3.22Å; H1090-K1093 PolarHBondContact O-N 3.03Å; W1091-K1093 VanDerWaalsContact C-N 3.29Å; W1091-K1093 PolarHBondContact O-N 2.99Å; K1093-K1096 WeakPolarHBondContact O-CB 3.15Å; K1093-K1096 PolarHBondContact O-N 3.33Å; K1093-M1097 WeakPolarHBondContact O-CG 3.19Å; K1093-M1097 PolarHBondContact O-N 2.96Å |
| 1094 | A | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P925 L929 M1082 V1089 H1090 W1091 K1096 M1097 | P925-A1094 HydrophobicContact CB-CB 3.96Å; P925-A1094 HydrophobicContact CG-CB 3.49Å; P925-A1094 VanDerWaalsContact CG-CB 3.49Å; L929-A1094 HydrophobicContact CD1-CB 4.25Å; M1082-A1094 HydrophobicContact CG-CB 4.08Å; V1089-A1094 HydrophobicContact CG2-CB 4Å; H1090-A1094 PolarHBondContact O-N 3.35Å; W1091-A1094 PolarHBondContact O-N 3.16Å; A1094-K1096 VanDerWaalsContact C-N 3.33Å; A1094-K1096 PolarHBondContact O-N 3.42Å; A1094-M1097 WeakPolarHBondContact O-CB 3.42Å; A1094-M1097 PolarHBondContact O-N 2.71Å; A1094-M1097 VanDerWaalsContact O-N 3.11Å |
| 1095 | L | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.6 | -179.3 | 62.6 | 0 | 0 | 0 | 111.3 | L929 M1046 I1050 W1091 M1097 V1098 A1099 I1104 | L929-L1095 HydrophobicContact CD2-CB 4.39Å; L929-L1095 HydrophobicContact CD2-CD1 4.02Å; M1046-L1095 HydrophobicContact CG-CD1 4.32Å; M1046-L1095 HydrophobicContact CG-CD2 4.43Å; M1046-L1095 HydrophobicContact SD-CD1 3.97Å; M1046-L1095 HydrophobicContact SD-CD2 3.89Å; I1050-L1095 HydrophobicContact CG1-CD1 4.49Å; W1091-L1095 HydrophobicContact CZ3-CD2 4.05Å; W1091-L1095 WeakPolarHBondContact O-CB 3.18Å; W1091-L1095 PolarHBondContact O-N 2.91Å; L1095-M1097 PolarHBondContact O-N 2.87Å; L1095-M1097 VanDerWaalsContact O-N 3.17Å; L1095-V1098 HydrophobicContact CD1-CG2 4.5Å; L1095-V1098 CarbonylContact O-C 3.56Å; L1095-V1098 PolarHBondContact O-N 3.33Å; L1095-A1099 HydrophobicContact CD1-CB 3.71Å; L1095-A1099 HydrophobicContact CG-CB 4.11Å; L1095-A1099 WeakPolarHBondContact O-CB 3.25Å; L1095-A1099 PolarHBondContact O-N 2.91Å; L1095-I1104 HydrophobicContact CD2-CG1 4.28Å |
| 1096 | K | 89.5 | Confident | 88 | Confident | 102 Ų | 102 | 41.9 Ų | 41.9 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.3 | -33 | 176.1 | -166.8 | -171.5 | -163.4 | 159.3 | 0 | 112.8 | S1092 K1093 A1094 V1098 S1100 R1101 E1102 | S1092-K1096 WeakPolarHBondContact O-CB 3.4Å; S1092-K1096 PolarHBondContact O-N 3.01Å; K1093-K1096 WeakPolarHBondContact O-CB 3.15Å; K1093-K1096 PolarHBondContact O-N 3.33Å; A1094-K1096 VanDerWaalsContact C-N 3.33Å; A1094-K1096 PolarHBondContact O-N 3.42Å; K1096-V1098 VanDerWaalsContact C-N 3.34Å; K1096-S1100 WeakPolarHBondContact O-CA 3.15Å; K1096-S1100 PolarHBondContact O-N 2.71Å; K1096-R1101 WeakPolarHBondContact CA-O 3.31Å; K1096-R1101 PolarHBondContact N-O 3.07Å; K1096-E1102 HydrophobicContact CB-CG 3.86Å; K1096-E1102 HydrophobicContact CD-CG 3.78Å; K1096-E1102 WeakPolarHBondContact CD-OE1 2.85Å; K1096-E1102 WeakPolarHBondContact CE-OE1 3.18Å; K1096-E1102 HydrophobicContact CG-CG 4.03Å; K1096-E1102 IonicContact NZ-OE1 3.58Å; K1096-E1102 PolarHBondContact NZ-OE1 3.01Å |
| 1097 | M | 88.3 | Confident | 88.3 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -37.6 | 177.5 | -63.8 | 168.8 | 178.6 | 0 | 0 | 111.6 | K1078 M1082 L1085 K1093 A1094 L1095 | K1078-M1097 WeakPolarHBondContact CE-O 3.33Å; M1082-M1097 HydrophobicContact CB-CB 4.41Å; L1085-M1097 HydrophobicContact CD1-CE 3.54Å; L1085-M1097 HydrophobicContact CD1-SD 3.36Å; L1085-M1097 WeakPolarHBondContact CD1-SD 3.18Å; K1093-M1097 WeakPolarHBondContact O-CG 3.19Å; K1093-M1097 PolarHBondContact O-N 2.96Å; A1094-M1097 WeakPolarHBondContact O-CB 3.42Å; A1094-M1097 PolarHBondContact O-N 2.71Å; A1094-M1097 VanDerWaalsContact O-N 3.11Å; L1095-M1097 PolarHBondContact O-N 2.87Å; L1095-M1097 VanDerWaalsContact O-N 3.17Å |
| 1098 | V | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -105 | -10.8 | -175 | -66.1 | 0 | 0 | 0 | 0 | 114.8 | I1050 H1053 M1054 L1079 M1082 L1095 K1096 | I1050-V1098 HydrophobicContact CD1-CG2 4.05Å; I1050-V1098 HydrophobicContact CG1-CB 4.45Å; I1050-V1098 HydrophobicContact CG1-CG2 3.94Å; I1050-V1098 HydrophobicContact CG2-CB 4.43Å; H1053-V1098 WeakPolarHBondContact CB-O 3.21Å; H1053-V1098 PolarHBondContact CD2-O 3.48Å; M1054-V1098 HydrophobicContact CE-CB 3.92Å; M1054-V1098 HydrophobicContact CE-CG1 4.01Å; L1079-V1098 HydrophobicContact CD2-CG1 4.41Å; M1082-V1098 HydrophobicContact CB-CG1 3.63Å; M1082-V1098 HydrophobicContact CE-CG1 4Å; M1082-V1098 HydrophobicContact CE-CG2 4.3Å; M1082-V1098 HydrophobicContact CG-CG1 3.95Å; L1095-V1098 HydrophobicContact CD1-CG2 4.5Å; L1095-V1098 CarbonylContact O-C 3.56Å; L1095-V1098 PolarHBondContact O-N 3.33Å; K1096-V1098 VanDerWaalsContact C-N 3.34Å |
| 1099 | A | 88.2 | Confident | 89.2 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -130.2 | 3.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1049 I1050 L1095 R1101 | Q1049-A1099 HydrophobicContact CB-CB 4.17Å; I1050-A1099 HydrophobicContact CG1-CB 4.44Å; L1095-A1099 HydrophobicContact CD1-CB 3.71Å; L1095-A1099 HydrophobicContact CG-CB 4.11Å; L1095-A1099 WeakPolarHBondContact O-CB 3.25Å; L1095-A1099 PolarHBondContact O-N 2.91Å; A1099-R1101 PolarHBondContact O-N 2.77Å |
| 1100 | S | 79 | Confident | 89.7 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 46% | 0.462 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 60.2 | -15.2 | -173.6 | 67.4 | 0 | 0 | 0 | 0 | 117.7 | K1096 | K1096-S1100 WeakPolarHBondContact O-CA 3.15Å; K1096-S1100 PolarHBondContact O-N 2.71Å |
| 1101 | R | 84.6 | Confident | 90 | Very high | 155 Ų | 155 | 45 Ų | 45 | 59% | 0.585 | 23% | 0.228 | S | C | * | . | trans | -116.5 | 147.6 | -179.4 | -62.9 | -176.2 | -179.7 | -174.8 | 0.8 | 110.8 | K1096 A1099 | K1096-R1101 WeakPolarHBondContact CA-O 3.31Å; K1096-R1101 PolarHBondContact N-O 3.07Å; A1099-R1101 PolarHBondContact O-N 2.77Å | ||
| 1102 | E | 84.9 | Confident | 90.3 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 43% | 0.425 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83.9 | -20.1 | 176 | -69.7 | 176.8 | -159.5 | 0 | 0 | 112.6 | K1096 | K1096-E1102 HydrophobicContact CB-CG 3.86Å; K1096-E1102 HydrophobicContact CD-CG 3.78Å; K1096-E1102 WeakPolarHBondContact CD-OE1 2.85Å; K1096-E1102 WeakPolarHBondContact CE-OE1 3.18Å; K1096-E1102 HydrophobicContact CG-CG 4.03Å; K1096-E1102 IonicContact NZ-OE1 3.58Å; K1096-E1102 PolarHBondContact NZ-OE1 3.01Å |
| 1103 | A | 87 | Confident | 90.6 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -98.8 | 143.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1049 | Q1049-A1103 PolarHBondContact NE2-O 2.82Š|
| 1104 | I | 92.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | trans | -71.7 | 135.7 | 172.4 | -54.5 | 176.8 | 0 | 0 | 0 | 108.8 | M750 L760 L1042 I1045 M1046 W1091 L1095 | M750-I1104 HydrophobicContact CE-CD1 4.23Å; L760-I1104 HydrophobicContact CD1-CB 4.34Å; L760-I1104 HydrophobicContact CD1-CG2 3.84Å; L760-I1104 HydrophobicContact CD2-CG2 4.23Å; L1042-I1104 HydrophobicContact CB-CD1 4.36Å; L1042-I1104 HydrophobicContact CD1-CD1 4.28Å; L1042-I1104 HydrophobicContact CD2-CD1 3.89Å; L1042-I1104 HydrophobicContact CG-CD1 4.41Å; I1045-I1104 HydrophobicContact CB-CG2 4.33Å; I1045-I1104 HydrophobicContact CG2-CG2 3.75Å; M1046-I1104 HydrophobicContact CE-CD1 4.37Å; M1046-I1104 HydrophobicContact CG-CD1 4.32Å; M1046-I1104 HydrophobicContact CG-CG1 4.04Å; M1046-I1104 HydrophobicContact CG-CG2 4.05Å; M1046-I1104 HydrophobicContact SD-CD1 3.99Å; M1046-I1104 HydrophobicContact SD-CG1 3.97Å; W1091-I1104 HydrophobicContact CH2-CD1 4.36Å; W1091-I1104 HydrophobicContact CH2-CG1 4.31Å; W1091-I1104 HydrophobicContact CZ3-CD1 4.21Å; W1091-I1104 HydrophobicContact CZ3-CG1 4.05Å; L1095-I1104 HydrophobicContact CD2-CG1 4.28Å | ||
| 1105 | S | 93.6 | Very high | 91 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | trans | -142.6 | 135.9 | -174.9 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | I1045 Q1049 P1108 | I1045-S1105 WeakPolarHBondContact CG2-O 3.47Å; Q1049-S1105 WeakPolarHBondContact CG-O 3.3Å; Q1049-S1105 VanDerWaalsContact NE2-CB 3.26Å; Q1049-S1105 VanDerWaalsContact OE1-N 3.16Å; S1105-P1108 WeakPolarHBondContact O-CD 3.35Å | ||
| 1106 | V | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81 | -24.5 | 179.3 | 174.6 | 0 | 0 | 0 | 0 | 112.8 | L760 E763 I764 I1045 P1108 L1109 L1110 | L760-V1106 HydrophobicContact CB-CG2 4.19Å; L760-V1106 HydrophobicContact CD2-CG2 3.79Å; E763-V1106 HydrophobicContact CB-CB 4.06Å; E763-V1106 HydrophobicContact CB-CG1 4.23Å; E763-V1106 HydrophobicContact CB-CG2 4Å; I764-V1106 HydrophobicContact CD1-CG1 4.33Å; I764-V1106 HydrophobicContact CD1-CG2 4.16Å; I764-V1106 HydrophobicContact CG1-CB 4.34Å; I764-V1106 HydrophobicContact CG1-CG1 3.42Å; I764-V1106 VanDerWaalsContact CG1-CG1 3.42Å; I764-V1106 HydrophobicContact CG1-CG2 3.93Å; I1045-V1106 HydrophobicContact CG2-CG2 4.25Å; V1106-P1108 VanDerWaalsContact C-N 3.3Å; V1106-P1108 VanDerWaalsContact O-N 3.1Å; V1106-L1109 VanDerWaalsContact O-CB 3.3Å; V1106-L1109 WeakPolarHBondContact O-CB 2.92Å; V1106-L1109 PolarHBondContact O-N 2.85Å; V1106-L1110 HydrophobicContact CG1-CD1 4.21Å; V1106-L1110 HydrophobicContact CG1-CG 4.06Å; V1106-L1110 PolarHBondContact O-N 3.21Å |
| 1107 | Q | 94.1 | Very high | 91.4 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 46% | 0.463 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -48.9 | -42.1 | -174.8 | -170 | 61.8 | 44.4 | 0 | 0 | 114.5 | L1109 L1110 D1111 | Q1107-L1109 VanDerWaalsContact C-N 3.28Å; Q1107-L1109 PolarHBondContact O-N 2.94Å; Q1107-L1110 PolarHBondContact O-N 2.97Å; Q1107-L1110 VanDerWaalsContact O-N 3.12Å; Q1107-D1111 PolarHBondContact NE2-OD1 2.02Å; Q1107-D1111 VanDerWaalsContact O-CG 3.25Å; Q1107-D1111 PolarHBondContact O-N 3.31Å |
| 1108 | P | 94.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.6 | -27.4 | -178.4 | -25.7 | 42 | 0 | 0 | 0 | 113.7 | F1048 Q1049 Q1052 S1105 V1106 Y1112 | F1048-P1108 HydrophobicContact CB-CB 4.16Å; F1048-P1108 WeakPolarHBondContact O-CB 3.42Å; Q1049-P1108 HydrophobicContact CB-CG 4.31Å; Q1049-P1108 HydrophobicContact CG-CB 4.42Å; Q1049-P1108 HydrophobicContact CG-CG 3.9Å; Q1052-P1108 HydrophobicContact CB-CB 4.05Å; Q1052-P1108 VanDerWaalsContact OE1-CB 3.3Å; S1105-P1108 WeakPolarHBondContact O-CD 3.35Å; V1106-P1108 VanDerWaalsContact C-N 3.3Å; V1106-P1108 VanDerWaalsContact O-N 3.1Å; P1108-Y1112 WeakPolarHBondContact O-CB 3.49Å; P1108-Y1112 PolarHBondContact O-N 3.44Å; P1108-Y1112 VanDerWaalsContact O-N 3.1Å |
| 1109 | L | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 171.4 | -179.2 | 161.1 | 0 | 0 | 0 | 109.8 | F767 L971 L975 F1048 V1106 Q1107 D1111 Y1112 F1113 | F767-L1109 HydrophobicContact CD1-CD2 4.13Å; F767-L1109 HydrophobicContact CE1-CD2 4.23Å; L971-L1109 HydrophobicContact CD2-CD1 4.1Å; L971-L1109 HydrophobicContact CD2-CG 4.41Å; L975-L1109 HydrophobicContact CD1-CD1 4.08Å; F1048-L1109 HydrophobicContact CB-CB 4.08Å; F1048-L1109 HydrophobicContact CD2-CB 3.81Å; F1048-L1109 HydrophobicContact CD2-CD1 3.85Å; F1048-L1109 HydrophobicContact CD2-CG 3.85Å; F1048-L1109 HydrophobicContact CE2-CB 4.42Å; F1048-L1109 HydrophobicContact CE2-CD1 3.86Å; F1048-L1109 HydrophobicContact CE2-CG 3.95Å; F1048-L1109 HydrophobicContact CG-CB 3.89Å; F1048-L1109 HydrophobicContact CG-CG 4.27Å; F1048-L1109 HydrophobicContact CZ-CG 4.44Å; V1106-L1109 VanDerWaalsContact O-CB 3.3Å; V1106-L1109 WeakPolarHBondContact O-CB 2.92Å; V1106-L1109 PolarHBondContact O-N 2.85Å; Q1107-L1109 VanDerWaalsContact C-N 3.28Å; Q1107-L1109 PolarHBondContact O-N 2.94Å; L1109-D1111 VanDerWaalsContact C-N 3.34Å; L1109-D1111 PolarHBondContact O-N 3.09Å; L1109-Y1112 WeakPolarHBondContact O-CB 3.29Å; L1109-Y1112 PolarHBondContact O-N 3.04Å; L1109-F1113 HydrophobicContact CD2-CD2 4.13Å; L1109-F1113 HydrophobicContact CG-CD2 4.39Å; L1109-F1113 WeakPolarHBondContact O-CD2 3.4Å; L1109-F1113 PolarHBondContact O-N 3.18Å |
| 1110 | L | 95.6 | Very high | 92 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 177.6 | -59.7 | 177.3 | 0 | 0 | 0 | 111.6 | F767 V1106 Q1107 Y1112 F1113 K1114 | F767-L1110 HydrophobicContact CB-CD2 4.03Å; F767-L1110 HydrophobicContact CD1-CD2 4.11Å; F767-L1110 HydrophobicContact CG-CD2 4.43Å; V1106-L1110 HydrophobicContact CG1-CD1 4.21Å; V1106-L1110 HydrophobicContact CG1-CG 4.06Å; V1106-L1110 PolarHBondContact O-N 3.21Å; Q1107-L1110 PolarHBondContact O-N 2.97Å; Q1107-L1110 VanDerWaalsContact O-N 3.12Å; L1110-Y1112 VanDerWaalsContact C-N 3.3Å; L1110-Y1112 PolarHBondContact O-N 3.37Å; L1110-F1113 CarbonylContact O-C 3.29Å; L1110-F1113 PolarHBondContact O-N 3.13Å; L1110-K1114 PolarHBondContact O-N 3.01Å |
| 1111 | D | 93.4 | Very high | 92.7 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 177 | -67.3 | -16.4 | 0 | 0 | 0 | 112.1 | Q1052 Q1107 L1109 | Q1052-D1111 PolarHBondContact NE2-OD2 3.43Å; Q1052-D1111 VanDerWaalsContact NE2-OD2 3.16Å; Q1107-D1111 PolarHBondContact NE2-OD1 2.02Å; Q1107-D1111 VanDerWaalsContact O-CG 3.25Å; Q1107-D1111 PolarHBondContact O-N 3.31Å; L1109-D1111 VanDerWaalsContact C-N 3.34Å; L1109-D1111 PolarHBondContact O-N 3.09Å |
| 1112 | Y | 94.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.7 | -175.7 | -82.6 | 0 | 0 | 0 | 111.8 | L939 L964 Q967 F1048 F1051 L1064 H1065 P1108 L1109 L1110 | L939-Y1112 HydrophobicContact CD2-CE2 4.24Å; L964-Y1112 HydrophobicContact CD2-CD1 3.94Å; L964-Y1112 HydrophobicContact CD2-CE1 3.51Å; Q967-Y1112 PolarHBondContact NE2-OH 3.39Å; Q967-Y1112 PolarHBondContact OE1-OH 2.74Å; F1048-Y1112 HydrophobicContact CD1-CD1 4.36Å; F1048-Y1112 HydrophobicContact CD1-CD2 4.1Å; F1048-Y1112 AromaticContact CD1-CG 3.85Å; F1048-Y1112 HydrophobicContact CD1-CG 3.85Å; F1048-Y1112 AromaticContact CE1-CD1 3.78Å; F1048-Y1112 HydrophobicContact CE1-CD1 3.78Å; F1048-Y1112 HydrophobicContact CE1-CD2 4.12Å; F1048-Y1112 HydrophobicContact CE1-CE1 4.24Å; F1048-Y1112 AromaticContact CE1-CG 3.73Å; F1048-Y1112 HydrophobicContact CE1-CG 3.73Å; F1051-Y1112 HydrophobicContact CD1-CD2 4.17Å; F1051-Y1112 HydrophobicContact CD1-CE2 4.34Å; F1051-Y1112 HydrophobicContact CE1-CD2 4.06Å; F1051-Y1112 AromaticContact CE1-CE2 3.92Å; F1051-Y1112 HydrophobicContact CE1-CE2 3.92Å; F1051-Y1112 HydrophobicContact CZ-CE2 4.42Å; L1064-Y1112 HydrophobicContact CD2-CD2 4.38Å; L1064-Y1112 HydrophobicContact CG-CD2 4.12Å; H1065-Y1112 VanDerWaalsContact CA-CE2 3.45Å; H1065-Y1112 HydrophobicContact CB-CD1 4.22Å; H1065-Y1112 HydrophobicContact CB-CD2 4.02Å; H1065-Y1112 HydrophobicContact CB-CE1 3.87Å; H1065-Y1112 HydrophobicContact CB-CE2 3.67Å; H1065-Y1112 HydrophobicContact CB-CG 4.27Å; P1108-Y1112 WeakPolarHBondContact O-CB 3.49Å; P1108-Y1112 PolarHBondContact O-N 3.44Å; P1108-Y1112 VanDerWaalsContact O-N 3.1Å; L1109-Y1112 WeakPolarHBondContact O-CB 3.29Å; L1109-Y1112 PolarHBondContact O-N 3.04Å; L1110-Y1112 VanDerWaalsContact C-N 3.3Å; L1110-Y1112 PolarHBondContact O-N 3.37Å |
| 1113 | F | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -88.8 | 4.2 | -178.4 | -72.9 | -77.4 | 0 | 0 | 0 | 114.6 | F767 L964 Q967 A968 L971 F1048 L1109 L1110 P1115 L1116 L1117 | F767-F1113 HydrophobicContact CE1-CB 3.64Å; F767-F1113 HydrophobicContact CE1-CD1 4.37Å; F767-F1113 AromaticContact CE1-CD2 3.86Å; F767-F1113 HydrophobicContact CE1-CD2 3.86Å; F767-F1113 AromaticContact CE1-CG 3.7Å; F767-F1113 HydrophobicContact CE1-CG 3.7Å; F767-F1113 HydrophobicContact CZ-CB 3.6Å; F767-F1113 HydrophobicContact CZ-CD1 4.05Å; F767-F1113 HydrophobicContact CZ-CD2 4.34Å; F767-F1113 AromaticContact CZ-CG 3.75Å; F767-F1113 HydrophobicContact CZ-CG 3.75Å; L964-F1113 HydrophobicContact CB-CD1 4.22Å; L964-F1113 HydrophobicContact CB-CE1 4.44Å; L964-F1113 HydrophobicContact CD2-CD1 3.89Å; L964-F1113 HydrophobicContact CD2-CE1 4.07Å; L964-F1113 WeakPolarHBondContact O-CE1 3.37Å; Q967-F1113 HydrophobicContact CB-CE1 3.86Å; Q967-F1113 HydrophobicContact CB-CZ 3.89Å; A968-F1113 HydrophobicContact CB-CD1 4.31Å; A968-F1113 HydrophobicContact CB-CE1 4.01Å; L971-F1113 HydrophobicContact CD2-CE2 3.59Å; L971-F1113 HydrophobicContact CD2-CZ 3.96Å; F1048-F1113 AromaticContact CE1-CE2 3.89Å; F1048-F1113 HydrophobicContact CE1-CE2 3.89Å; F1048-F1113 AromaticContact CZ-CE2 3.77Å; F1048-F1113 HydrophobicContact CZ-CE2 3.77Å; F1048-F1113 HydrophobicContact CZ-CZ 4.43Å; L1109-F1113 HydrophobicContact CD2-CD2 4.13Å; L1109-F1113 HydrophobicContact CG-CD2 4.39Å; L1109-F1113 WeakPolarHBondContact O-CD2 3.4Å; L1109-F1113 PolarHBondContact O-N 3.18Å; L1110-F1113 CarbonylContact O-C 3.29Å; L1110-F1113 PolarHBondContact O-N 3.13Å; F1113-P1115 VanDerWaalsContact C-CD 3.42Å; F1113-P1115 VanDerWaalsContact O-N 3.13Å; F1113-L1116 HydrophobicContact CD1-CD2 4.08Å; F1113-L1116 WeakPolarHBondContact O-CA 3.19Å; F1113-L1116 WeakPolarHBondContact O-CB 3.45Å; F1113-L1116 PolarHBondContact O-N 2.69Å; F1113-L1117 PolarHBondContact O-N 2.75Å |
| 1114 | K | 93.8 | Very high | 93.3 | Very high | 115 Ų | 115 | 38.9 Ų | 38.9 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -45.5 | -46.8 | -175.3 | -178.6 | 176.8 | 177 | 179 | 0 | 114.8 | L1110 L1116 L1117 E1118 | L1110-K1114 PolarHBondContact O-N 3.01Å; K1114-L1116 VanDerWaalsContact C-N 3.33Å; K1114-L1116 PolarHBondContact O-N 2.93Å; K1114-L1117 PolarHBondContact O-N 3.38Å; K1114-E1118 WeakPolarHBondContact CE-OE1 3.05Å; K1114-E1118 WeakPolarHBondContact O-CG 3.43Å; K1114-E1118 PolarHBondContact O-N 2.8Å |
| 1115 | P | 91.3 | Very high | 93 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 178.6 | -18.5 | 30.4 | 0 | 0 | 0 | 113.6 | L961 L964 F1113 F1119 | L961-P1115 HydrophobicContact CD2-CB 4.18Å; L964-P1115 HydrophobicContact CD1-CB 4.18Å; L964-P1115 HydrophobicContact CD1-CG 4.15Å; F1113-P1115 VanDerWaalsContact C-CD 3.42Å; F1113-P1115 VanDerWaalsContact O-N 3.13Å; P1115-F1119 WeakPolarHBondContact O-CB 3.07Å; P1115-F1119 PolarHBondContact O-N 3.31Å |
| 1116 | L | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.5 | -39.8 | 175.6 | 176.5 | 65.4 | 0 | 0 | 0 | 110.8 | F767 L964 M965 A968 F1113 K1114 E1118 F1119 L1120 | F767-L1116 HydrophobicContact CE2-CD2 4.37Å; F767-L1116 HydrophobicContact CZ-CD2 4.2Å; L964-L1116 HydrophobicContact CB-CB 3.99Å; L964-L1116 HydrophobicContact CB-CD2 4.18Å; L964-L1116 HydrophobicContact CD1-CB 4.29Å; M965-L1116 HydrophobicContact CB-CD1 4.3Å; M965-L1116 HydrophobicContact CE-CD1 3.64Å; M965-L1116 HydrophobicContact SD-CD1 4.23Å; A968-L1116 HydrophobicContact CB-CD2 3.53Å; F1113-L1116 HydrophobicContact CD1-CD2 4.08Å; F1113-L1116 WeakPolarHBondContact O-CA 3.19Å; F1113-L1116 WeakPolarHBondContact O-CB 3.45Å; F1113-L1116 PolarHBondContact O-N 2.69Å; K1114-L1116 VanDerWaalsContact C-N 3.33Å; K1114-L1116 PolarHBondContact O-N 2.93Å; L1116-E1118 VanDerWaalsContact C-N 3.32Å; L1116-E1118 PolarHBondContact O-N 3.32Å; L1116-F1119 HydrophobicContact CD1-CD1 4.09Å; L1116-F1119 PolarHBondContact O-N 2Å; L1116-L1120 HydrophobicContact CD1-CD1 4.34Å; L1116-L1120 HydrophobicContact CD1-CG 4.14Å; L1116-L1120 HydrophobicContact CG-CD1 4.01Å; L1116-L1120 HydrophobicContact CG-CG 4.26Å; L1116-L1120 WeakPolarHBondContact O-CB 3.46Å; L1116-L1120 VanDerWaalsContact O-CG 3.27Å; L1116-L1120 WeakPolarHBondContact O-CG 3.35Å; L1116-L1120 PolarHBondContact O-N 2.95Å |
| 1117 | L | 93.9 | Very high | 91.8 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.7 | -172.4 | 68.8 | 0 | 0 | 0 | 111.4 | F767 Q770 F1113 K1114 L1120 N1121 | F767-L1117 HydrophobicContact CB-CD1 4.06Å; F767-L1117 HydrophobicContact CD2-CD1 3.5Å; F767-L1117 VanDerWaalsContact CD2-CD1 3.5Å; F767-L1117 HydrophobicContact CE2-CD1 4.27Å; F767-L1117 HydrophobicContact CG-CD1 4.02Å; Q770-L1117 HydrophobicContact CB-CD1 4.46Å; Q770-L1117 HydrophobicContact CG-CD1 4.26Å; F1113-L1117 PolarHBondContact O-N 2.75Å; K1114-L1117 PolarHBondContact O-N 3.38Å; L1117-L1120 PolarHBondContact O-N 2.96Å; L1117-N1121 VanDerWaalsContact O-CB 3.24Å; L1117-N1121 WeakPolarHBondContact O-CB 3.43Å; L1117-N1121 PolarHBondContact O-N 2.88Å |
| 1118 | E | 92.5 | Very high | 91.2 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 173.2 | -73.1 | 169.1 | 179.3 | 0 | 0 | 111.1 | K1114 L1116 L1120 N1121 E1122 | K1114-E1118 WeakPolarHBondContact CE-OE1 3.05Å; K1114-E1118 WeakPolarHBondContact O-CG 3.43Å; K1114-E1118 PolarHBondContact O-N 2.8Å; L1116-E1118 VanDerWaalsContact C-N 3.32Å; L1116-E1118 PolarHBondContact O-N 3.32Å; E1118-L1120 PolarHBondContact O-N 3.37Å; E1118-N1121 PolarHBondContact O-N 3.47Å; E1118-E1122 WeakPolarHBondContact O-CG 3.21Å; E1118-E1122 PolarHBondContact O-N 3.34Å |
| 1119 | F | 93.4 | Very high | 90.9 | Very high | 44 Ų | 44 | 53 Ų | 53 | 19% | 0.193 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58 | -47 | 175.2 | 167.6 | -94.9 | 0 | 0 | 0 | 113.1 | F774 P814 L961 M965 P1115 L1116 N1121 T1123 | F774-F1119 HydrophobicContact CE2-CE1 4.15Å; F774-F1119 HydrophobicContact CE2-CZ 4.39Å; F774-F1119 HydrophobicContact CZ-CE1 4.01Å; F774-F1119 HydrophobicContact CZ-CZ 4.31Å; P814-F1119 HydrophobicContact CB-CD1 4.45Å; P814-F1119 HydrophobicContact CB-CE1 3.95Å; P814-F1119 HydrophobicContact CB-CE2 4.03Å; P814-F1119 HydrophobicContact CB-CZ 3.72Å; P814-F1119 HydrophobicContact CG-CD1 4.25Å; P814-F1119 HydrophobicContact CG-CE1 3.83Å; P814-F1119 HydrophobicContact CG-CZ 4.12Å; L961-F1119 HydrophobicContact CD2-CB 4.17Å; M965-F1119 HydrophobicContact CE-CE1 4.13Å; P1115-F1119 WeakPolarHBondContact O-CB 3.07Å; P1115-F1119 PolarHBondContact O-N 3.31Å; L1116-F1119 HydrophobicContact CD1-CD1 4.09Å; L1116-F1119 PolarHBondContact O-N 2Å; F1119-N1121 VanDerWaalsContact C-N 3.35Å; F1119-T1123 WeakPolarHBondContact CE2-OG1 3.26Å; F1119-T1123 VanDerWaalsContact O-CB 3.26Å; F1119-T1123 WeakPolarHBondContact O-CB 3.5Å; F1119-T1123 PolarHBondContact O-N 2.96Å; F1119-T1123 PolarHBondContact O-OG1 3.1Å |
| 1120 | L | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 179.5 | -73.5 | 173.2 | 0 | 0 | 0 | 110.7 | F767 Q770 L771 F774 M965 L1116 L1117 E1118 T1123 N1124 | F767-L1120 HydrophobicContact CD2-CD1 4.38Å; F767-L1120 HydrophobicContact CE2-CD1 3.9Å; Q770-L1120 HydrophobicContact CB-CB 4.21Å; Q770-L1120 HydrophobicContact CB-CD1 4.3Å; L771-L1120 HydrophobicContact CB-CD1 4.35Å; L771-L1120 HydrophobicContact CD1-CD1 4.47Å; F774-L1120 HydrophobicContact CB-CD2 3.55Å; F774-L1120 HydrophobicContact CD1-CD2 3.71Å; F774-L1120 HydrophobicContact CD2-CD2 4.08Å; F774-L1120 HydrophobicContact CE1-CD2 4.42Å; F774-L1120 HydrophobicContact CG-CD2 3.5Å; F774-L1120 VanDerWaalsContact CG-CD2 3.5Å; M965-L1120 HydrophobicContact CE-CD2 4.07Å; L1116-L1120 HydrophobicContact CD1-CD1 4.34Å; L1116-L1120 HydrophobicContact CD1-CG 4.14Å; L1116-L1120 HydrophobicContact CG-CD1 4.01Å; L1116-L1120 HydrophobicContact CG-CG 4.26Å; L1116-L1120 WeakPolarHBondContact O-CB 3.46Å; L1116-L1120 VanDerWaalsContact O-CG 3.27Å; L1116-L1120 WeakPolarHBondContact O-CG 3.35Å; L1116-L1120 PolarHBondContact O-N 2.95Å; L1117-L1120 PolarHBondContact O-N 2.96Å; E1118-L1120 PolarHBondContact O-N 3.37Å; L1120-T1123 PolarHBondContact O-N 3.33Å; L1120-N1124 WeakPolarHBondContact O-CB 3.23Å; L1120-N1124 VanDerWaalsContact O-CG 3.27Å; L1120-N1124 PolarHBondContact O-N 3.12Å; L1120-N1124 PolarHBondContact O-ND2 3.17Å |
| 1121 | N | 92.3 | Very high | 90.5 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 178.5 | -172.1 | 31.3 | 0 | 0 | 0 | 111.5 | Q770 L1117 E1118 F1119 T1123 N1125 | Q770-N1121 PolarHBondContact NE2-OD1 3.46Å; L1117-N1121 VanDerWaalsContact O-CB 3.24Å; L1117-N1121 WeakPolarHBondContact O-CB 3.43Å; L1117-N1121 PolarHBondContact O-N 2.88Å; E1118-N1121 PolarHBondContact O-N 3.47Å; F1119-N1121 VanDerWaalsContact C-N 3.35Å; N1121-T1123 PolarHBondContact O-N 2.69Å; N1121-N1125 VanDerWaalsContact O-CB 3.23Å; N1121-N1125 WeakPolarHBondContact O-CB 3.3Å; N1121-N1125 PolarHBondContact O-N 3.33Å; N1121-N1125 PolarHBondContact O-ND2 2.89Å; N1121-N1125 PolarHBondContact OD1-ND2 2.75Å |
| 1122 | E | 89.4 | Confident | 90.4 | Very high | 124 Ų | 124 | 49.9 Ų | 49.9 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.1 | -45.1 | 176.1 | -73.9 | -179.9 | -178.6 | 0 | 0 | 111.9 | E1118 N1125 N1126 | E1118-E1122 WeakPolarHBondContact O-CG 3.21Å; E1118-E1122 PolarHBondContact O-N 3.34Å; E1122-N1125 PolarHBondContact O-N 2.68Å; E1122-N1126 VanDerWaalsContact O-CB 3.26Å; E1122-N1126 WeakPolarHBondContact O-CB 3.44Å; E1122-N1126 PolarHBondContact O-N 3.45Å; E1122-N1126 PolarHBondContact O-ND2 2.95Å |
| 1123 | T | 88 | Confident | 90.4 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.9 | -45.9 | -177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | F774 F1119 L1120 N1121 N1125 N1126 K1127 | F774-T1123 HydrophobicContact CD2-CG2 4.09Å; F774-T1123 HydrophobicContact CE2-CG2 3.8Å; F1119-T1123 WeakPolarHBondContact CE2-OG1 3.26Å; F1119-T1123 VanDerWaalsContact O-CB 3.26Å; F1119-T1123 WeakPolarHBondContact O-CB 3.5Å; F1119-T1123 PolarHBondContact O-N 2.96Å; F1119-T1123 PolarHBondContact O-OG1 3.1Å; L1120-T1123 PolarHBondContact O-N 3.33Å; N1121-T1123 PolarHBondContact O-N 2.69Å; T1123-N1125 VanDerWaalsContact C-N 3.35Å; T1123-N1125 PolarHBondContact O-N 3.23Å; T1123-N1126 PolarHBondContact O-N 3.19Å; T1123-K1127 HydrophobicContact CG2-CG 4.5Å; T1123-K1127 WeakPolarHBondContact O-CB 3.31Å; T1123-K1127 VanDerWaalsContact O-CG 3.29Å; T1123-K1127 WeakPolarHBondContact O-CG 3.2Å; T1123-K1127 PolarHBondContact O-N 3.28Å |
| 1124 | N | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.7 | -74.7 | -32.2 | 0 | 0 | 0 | 111.5 | Q770 L1120 K1127 S1128 N1129 Y1131 | Q770-N1124 PolarHBondContact O-ND2 3.08Å; Q770-N1124 PolarHBondContact OE1-ND2 2.74Å; L1120-N1124 WeakPolarHBondContact O-CB 3.23Å; L1120-N1124 VanDerWaalsContact O-CG 3.27Å; L1120-N1124 PolarHBondContact O-N 3.12Å; L1120-N1124 PolarHBondContact O-ND2 3.17Å; N1124-K1127 PolarHBondContact O-N 3.34Å; N1124-S1128 PolarHBondContact O-N 3.42Å; N1124-N1129 HydrophobicContact CB-CB 4.11Å; N1124-N1129 PolarHBondContact O-N 3.13Å; N1124-N1129 PolarHBondContact OD1-ND2 3.24Å; N1124-Y1131 HydrophobicContact CB-CE1 3.89Å; N1124-Y1131 WeakPolarHBondContact CB-OH 3.28Å |
| 1125 | N | 87.3 | Confident | 89.9 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 175.4 | -68.3 | -23.7 | 0 | 0 | 0 | 111.9 | N1121 E1122 T1123 K1127 S1128 Y1131 | N1121-N1125 VanDerWaalsContact O-CB 3.23Å; N1121-N1125 WeakPolarHBondContact O-CB 3.3Å; N1121-N1125 PolarHBondContact O-N 3.33Å; N1121-N1125 PolarHBondContact O-ND2 2.89Å; N1121-N1125 PolarHBondContact OD1-ND2 2.75Å; E1122-N1125 PolarHBondContact O-N 2.68Å; T1123-N1125 VanDerWaalsContact C-N 3.35Å; T1123-N1125 PolarHBondContact O-N 3.23Å; N1125-K1127 PolarHBondContact O-N 3.45Å; N1125-S1128 PolarHBondContact O-N 3.3Å; N1125-S1128 VanDerWaalsContact O-N 3.11Å; N1125-Y1131 PolarHBondContact OD1-OH 3Å; N1125-Y1131 VanDerWaalsContact OD1-OH 3.08Å |
| 1126 | N | 81.3 | Confident | 89.7 | Confident | 135 Ų | 135 | 57.6 Ų | 57.6 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.4 | -29.9 | 177.1 | -75.9 | -20.1 | 0 | 0 | 0 | 113 | E1122 T1123 | E1122-N1126 VanDerWaalsContact O-CB 3.26Å; E1122-N1126 WeakPolarHBondContact O-CB 3.44Å; E1122-N1126 PolarHBondContact O-N 3.45Å; E1122-N1126 PolarHBondContact O-ND2 2.95Å; T1123-N1126 PolarHBondContact O-N 3.19Å |
| 1127 | K | 80.7 | Confident | 89.4 | Confident | 118 Ų | 118 | 58.3 Ų | 58.3 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.5 | 176.8 | -63 | -58.4 | -174.4 | -175.8 | 0 | 113.5 | F777 T1123 N1124 N1125 N1129 | F777-K1127 HydrophobicContact CD2-CB 4.3Å; F777-K1127 HydrophobicContact CE1-CD 4.26Å; F777-K1127 HydrophobicContact CE1-CG 4.03Å; F777-K1127 HydrophobicContact CE2-CB 3.9Å; F777-K1127 HydrophobicContact CE2-CD 4.13Å; F777-K1127 HydrophobicContact CE2-CG 4.01Å; F777-K1127 HydrophobicContact CZ-CB 4.11Å; F777-K1127 HydrophobicContact CZ-CD 3.61Å; F777-K1127 HydrophobicContact CZ-CG 3.68Å; T1123-K1127 HydrophobicContact CG2-CG 4.5Å; T1123-K1127 WeakPolarHBondContact O-CB 3.31Å; T1123-K1127 VanDerWaalsContact O-CG 3.29Å; T1123-K1127 WeakPolarHBondContact O-CG 3.2Å; T1123-K1127 PolarHBondContact O-N 3.28Å; N1124-K1127 PolarHBondContact O-N 3.34Å; N1125-K1127 PolarHBondContact O-N 3.45Å; K1127-N1129 PolarHBondContact O-N 3.38Å |
| 1128 | S | 82.4 | Confident | 89.2 | Confident | 103 Ų | 103 | 58.4 Ų | 58.4 | 72% | 0.72 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.2 | -174.6 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | N1124 N1125 | N1124-S1128 PolarHBondContact O-N 3.42Å; N1125-S1128 PolarHBondContact O-N 3.3Å; N1125-S1128 VanDerWaalsContact O-N 3.11Å |
| 1129 | N | 87.8 | Confident | 88.8 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | trans | -67.2 | 135 | 178 | -71 | -18.8 | 0 | 0 | 0 | 110.2 | F777 N1124 K1127 | F777-N1129 VanDerWaalsContact CB-ND2 3.34Å; F777-N1129 WeakPolarHBondContact CB-ND2 3.19Å; F777-N1129 WeakPolarHBondContact CD2-OD1 3.43Å; N1124-N1129 HydrophobicContact CB-CB 4.11Å; N1124-N1129 PolarHBondContact O-N 3.13Å; N1124-N1129 PolarHBondContact OD1-ND2 3.24Å; K1127-N1129 PolarHBondContact O-N 3.38Å | ||
| 1130 | C | 90.4 | Very high | 88.5 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 14% | 0.142 | 33% | 0.329 | C | S | . | . | trans | -77.9 | 159.2 | 166.6 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | A773 R776 P1148 C1150 M1154 | A773-C1130 WeakPolarHBondContact CB-O 3.33Å; R776-C1130 PolarHBondContact NH2-O 3.42Å; C1130-P1148 CarbonylContact C-O 3.57Å; C1130-P1148 VanDerWaalsContact CA-O 3.28Å; C1130-P1148 WeakPolarHBondContact CA-O 3.39Å; C1130-P1148 HydrophobicContact CB-CG 4.45Å; C1130-C1150 HydrophobicContact CB-CB 3.97Å; C1130-C1150 WeakPolarHBondContact CB-SG 3.36Å; C1130-C1150 PolarHBondContact O-SG 3.21Å; C1130-C1150 VanDerWaalsContact O-SG 3.36Å; C1130-C1150 VanDerWaalsContact SG-CA 3.52Å; C1130-C1150 WeakPolarHBondContact SG-CB 3.44Å; C1130-C1150 CovalentContact SG-SG 2.04Å; C1130-C1150 PolarHBondContact SG-SG 2.83Å; C1130-M1154 VanDerWaalsContact SG-SD 3.62Å | ||
| 1131 | Y | 92.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -117.1 | 149.7 | -176.9 | -56.9 | -83.2 | 0 | 0 | 0 | 112.3 | Q770 A773 N1124 N1125 P1146 K1147 P1148 R1149 C1150 | Q770-Y1131 HydrophobicContact CG-CE1 4.4Å; Q770-Y1131 VanDerWaalsContact OE1-CE1 3.25Å; A773-Y1131 HydrophobicContact CB-CD1 3.8Å; A773-Y1131 HydrophobicContact CB-CE1 4.15Å; N1124-Y1131 HydrophobicContact CB-CE1 3.89Å; N1124-Y1131 WeakPolarHBondContact CB-OH 3.28Å; N1125-Y1131 PolarHBondContact OD1-OH 3Å; N1125-Y1131 VanDerWaalsContact OD1-OH 3.08Å; Y1131-P1146 HydrophobicContact CD1-CB 3.89Å; Y1131-P1146 HydrophobicContact CD1-CG 3.77Å; Y1131-P1146 HydrophobicContact CD2-CB 3.76Å; Y1131-P1146 HydrophobicContact CD2-CG 4.31Å; Y1131-P1146 HydrophobicContact CE1-CB 4.13Å; Y1131-P1146 HydrophobicContact CE1-CG 4.38Å; Y1131-P1146 HydrophobicContact CE2-CB 4Å; Y1131-P1146 HydrophobicContact CG-CB 3.68Å; Y1131-P1146 HydrophobicContact CG-CG 3.71Å; Y1131-K1147 VanDerWaalsContact CE2-O 3.28Å; Y1131-K1147 WeakPolarHBondContact CE2-O 3.32Å; Y1131-P1148 WeakPolarHBondContact CD2-O 3.31Å; Y1131-P1148 PolarHBondContact N-O 2.98Å; Y1131-R1149 CarbonylContact O-C 3.55Å; Y1131-R1149 WeakPolarHBondContact O-CA 3.28Å; Y1131-C1150 PolarHBondContact N-SG 2.84Å; Y1131-C1150 PolarHBondContact O-N 3.49Å |
| 1132 | G | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 77.7 | -166.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R776 C1150 | R776-G1132 PolarHBondContact NH1-O 2.84Å; G1132-C1150 PolarHBondContact O-SG 3.2Å; G1132-C1150 VanDerWaalsContact O-SG 3.37Å |
| 1133 | W | 93.5 | Very high | 88 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | trans | -146.4 | 38.1 | -170.5 | 50.5 | 86.4 | 0 | 0 | 0 | 112.8 | L765 Y768 E769 H772 S790 A791 H1007 G1011 F1135 | L765-W1133 HydrophobicContact CD1-CH2 4.19Å; Y768-W1133 AromaticContact CD1-CH2 3.93Å; Y768-W1133 HydrophobicContact CD1-CH2 3.93Å; Y768-W1133 HydrophobicContact CD1-CZ3 4.05Å; Y768-W1133 AromaticContact CE1-CH2 3.69Å; Y768-W1133 HydrophobicContact CE1-CH2 3.69Å; Y768-W1133 AromaticContact CE1-CZ3 3.76Å; Y768-W1133 HydrophobicContact CE1-CZ3 3.76Å; E769-W1133 HydrophobicContact CG-CH2 4.38Å; E769-W1133 HydrophobicContact CG-CZ3 3.99Å; H772-W1133 AromaticContact CE1-CE3 3.93Å; H772-W1133 AromaticContact NE2-CE3 3.85Å; S790-W1133 WeakPolarHBondContact OG-CA 3.39Å; A791-W1133 HydrophobicContact CB-CB 4.04Å; H1007-W1133 AromaticContact CD2-CD1 3.88Å; H1007-W1133 AromaticContact NE2-CD1 3.72Å; H1007-W1133 PolarHBondContact O-NE1 3.46Å; G1011-W1133 VanDerWaalsContact CA-CG 3.41Å; G1011-W1133 VanDerWaalsContact N-CE2 3.26Å; G1011-W1133 VanDerWaalsContact N-CZ2 3.27Å; W1133-F1135 VanDerWaalsContact C-N 3.27Å; W1133-F1135 PolarHBondContact O-N 3.35Å | ||
| 1134 | G | 88.2 | Confident | 88 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 78.5 | -8.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | R1136 C1150 | G1134-R1136 PolarHBondContact O-N 3.33Å; G1134-C1150 WeakPolarHBondContact CA-O 3.37Å; G1134-C1150 PolarHBondContact N-O 3.06Å |
| 1135 | F | 90.4 | Very high | 87.9 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 25% | 0.25 | 35% | 0.348 | C | S | . | . | trans | -68.9 | 130.8 | 174.9 | -174.6 | -94.4 | 0 | 0 | 0 | 111.9 | Q1008 W1133 W1137 | Q1008-F1135 HydrophobicContact CB-CD2 4.3Å; Q1008-F1135 HydrophobicContact CB-CE2 4.05Å; Q1008-F1135 HydrophobicContact CB-CZ 4.4Å; Q1008-F1135 HydrophobicContact CG-CD1 4.37Å; Q1008-F1135 HydrophobicContact CG-CD2 4.2Å; Q1008-F1135 HydrophobicContact CG-CE1 3.88Å; Q1008-F1135 HydrophobicContact CG-CE2 3.68Å; Q1008-F1135 HydrophobicContact CG-CZ 3.52Å; W1133-F1135 VanDerWaalsContact C-N 3.27Å; W1133-F1135 PolarHBondContact O-N 3.35Å; F1135-W1137 AromaticContact CD1-CD2 3.92Å; F1135-W1137 HydrophobicContact CD1-CD2 3.92Å; F1135-W1137 AromaticContact CD1-CE2 3.75Å; F1135-W1137 HydrophobicContact CD1-CG 4.07Å; F1135-W1137 HydrophobicContact CD1-CZ2 4.22Å; F1135-W1137 AromaticContact CD1-NE1 3.85Å; F1135-W1137 AromaticContact CE1-CD2 3.96Å; F1135-W1137 HydrophobicContact CE1-CD2 3.96Å; F1135-W1137 HydrophobicContact CE1-CE3 4.15Å; F1135-W1137 HydrophobicContact CE1-CG 4.32Å; F1135-W1137 PolarHBondContact O-N 2.04Å | ||
| 1136 | R | 86.7 | Confident | 88.1 | Confident | 228 Ų | 228 | 64.1 Ų | 64.1 | 86% | 0.86 | 34% | 0.335 | S | S | * | . | trans | -88 | 102 | 178.4 | -61.9 | -173.1 | -162.1 | -177.3 | 5.2 | 111.1 | G1134 | G1134-R1136 PolarHBondContact O-N 3.33Š| ||
| 1137 | W | 88.8 | Confident | 88.3 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 6% | 0.057 | 33% | 0.329 | C | S | . | . | trans | -70.7 | 153.2 | 172.2 | -68.8 | 97.5 | 0 | 0 | 0 | 111.5 | L765 Q1008 Y1009 F1135 V1141 D1142 L1145 | L765-W1137 HydrophobicContact CD1-CZ2 4.16Å; L765-W1137 HydrophobicContact CD2-CD2 3.98Å; L765-W1137 HydrophobicContact CD2-CE3 4.31Å; L765-W1137 HydrophobicContact CD2-CH2 3.87Å; L765-W1137 HydrophobicContact CD2-CZ2 3.47Å; L765-W1137 VanDerWaalsContact CD2-CZ2 3.47Å; L765-W1137 HydrophobicContact CD2-CZ3 4.27Å; L765-W1137 HydrophobicContact CG-CZ2 4.49Å; Q1008-W1137 WeakPolarHBondContact O-CZ2 3.46Å; Y1009-W1137 AromaticContact CD1-CH2 3.86Å; Y1009-W1137 HydrophobicContact CD1-CH2 3.86Å; Y1009-W1137 HydrophobicContact CD1-CZ3 4.5Å; Y1009-W1137 HydrophobicContact CE1-CH2 4.03Å; Y1009-W1137 HydrophobicContact CE1-CZ3 4.22Å; F1135-W1137 AromaticContact CD1-CD2 3.92Å; F1135-W1137 HydrophobicContact CD1-CD2 3.92Å; F1135-W1137 AromaticContact CD1-CE2 3.75Å; F1135-W1137 HydrophobicContact CD1-CG 4.07Å; F1135-W1137 HydrophobicContact CD1-CZ2 4.22Å; F1135-W1137 AromaticContact CD1-NE1 3.85Å; F1135-W1137 AromaticContact CE1-CD2 3.96Å; F1135-W1137 HydrophobicContact CE1-CD2 3.96Å; F1135-W1137 HydrophobicContact CE1-CE3 4.15Å; F1135-W1137 HydrophobicContact CE1-CG 4.32Å; F1135-W1137 PolarHBondContact O-N 2.04Å; W1137-V1141 HydrophobicContact CB-CB 4.12Å; W1137-V1141 HydrophobicContact CB-CG1 4.01Å; W1137-V1141 HydrophobicContact CD2-CG1 4.1Å; W1137-V1141 HydrophobicContact CE3-CG1 3.95Å; W1137-V1141 HydrophobicContact CG-CG1 4.13Å; W1137-D1142 HydrophobicContact CB-CB 4.23Å; W1137-L1145 HydrophobicContact CB-CD1 4.36Å; W1137-L1145 VanDerWaalsContact CD1-CD1 3.4Å; W1137-L1145 HydrophobicContact CG-CD1 3.9Å | ||
| 1138 | P | 88.1 | Confident | 88.8 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | trans | -49.9 | 144.2 | 166.5 | -27.6 | 37.2 | 0 | 0 | 0 | 111.5 | D1140 V1141 D1142 | P1138-D1140 WeakPolarHBondContact CB-OD1 3.44Å; P1138-D1140 PolarHBondContact O-N 3.28Å; P1138-D1140 VanDerWaalsContact O-N 3.12Å; P1138-V1141 HydrophobicContact CB-CG2 4.5Å; P1138-V1141 WeakPolarHBondContact O-CA 3.36Å; P1138-V1141 WeakPolarHBondContact O-CB 3.44Å; P1138-V1141 PolarHBondContact O-N 2.76Å; P1138-D1142 PolarHBondContact O-N 3.42Å | ||
| 1139 | L | 85.8 | Confident | 89.2 | Confident | 140 Ų | 140 | 60.5 Ų | 60.5 | 73% | 0.733 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -53.2 | -37.1 | -172.1 | -82.7 | 158.1 | 0 | 0 | 0 | 113.8 | V1141 Q1143 | L1139-V1141 VanDerWaalsContact C-N 3.35Å; L1139-Q1143 VanDerWaalsContact O-CG 3.26Å; L1139-Q1143 WeakPolarHBondContact O-CG 3.4Å; L1139-Q1143 PolarHBondContact O-N 3.47Å |
| 1140 | D | 85.5 | Confident | 89.3 | Confident | 113 Ų | 113 | 60.1 Ų | 60.1 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.8 | -35.6 | 177.2 | 57.7 | -53.2 | 0 | 0 | 0 | 112.7 | P1138 | P1138-D1140 WeakPolarHBondContact CB-OD1 3.44Å; P1138-D1140 PolarHBondContact O-N 3.28Å; P1138-D1140 VanDerWaalsContact O-N 3.12Å |
| 1141 | V | 89 | Confident | 89.3 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -78.2 | -47.9 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | I762 L765 W1137 P1138 L1139 Q1143 T1144 L1145 | I762-V1141 HydrophobicContact CD1-CG2 3.93Å; I762-V1141 HydrophobicContact CG1-CG2 4.38Å; I762-V1141 HydrophobicContact CG2-CG1 3.98Å; I762-V1141 HydrophobicContact CG2-CG2 4.01Å; L765-V1141 HydrophobicContact CD2-CG1 4.32Å; W1137-V1141 HydrophobicContact CB-CB 4.12Å; W1137-V1141 HydrophobicContact CB-CG1 4.01Å; W1137-V1141 HydrophobicContact CD2-CG1 4.1Å; W1137-V1141 HydrophobicContact CE3-CG1 3.95Å; W1137-V1141 HydrophobicContact CG-CG1 4.13Å; P1138-V1141 HydrophobicContact CB-CG2 4.5Å; P1138-V1141 WeakPolarHBondContact O-CA 3.36Å; P1138-V1141 WeakPolarHBondContact O-CB 3.44Å; P1138-V1141 PolarHBondContact O-N 2.76Å; L1139-V1141 VanDerWaalsContact C-N 3.35Å; V1141-Q1143 PolarHBondContact O-N 2.9Å; V1141-T1144 PolarHBondContact O-N 3.08Å; V1141-T1144 PolarHBondContact O-OG1 2.96Å; V1141-L1145 HydrophobicContact CG1-CD1 4.43Å |
| 1142 | D | 87.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.1 | -32.8 | -176.3 | -168.8 | 70.1 | 0 | 0 | 0 | 112.8 | W1137 P1138 T1144 L1145 R1149 | W1137-D1142 HydrophobicContact CB-CB 4.23Å; P1138-D1142 PolarHBondContact O-N 3.42Å; D1142-T1144 PolarHBondContact O-N 3Å; D1142-L1145 PolarHBondContact O-N 3.5Å; D1142-R1149 IonicContact OD1-NE 3.23Å |
| 1143 | Q | 88.4 | Confident | 88.6 | Confident | 145 Ų | 145 | 76.5 Ų | 76.5 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.9 | 174.3 | -78 | 176.7 | 8.2 | 0 | 0 | 114.3 | L1139 V1141 | L1139-Q1143 VanDerWaalsContact O-CG 3.26Å; L1139-Q1143 WeakPolarHBondContact O-CG 3.4Å; L1139-Q1143 PolarHBondContact O-N 3.47Å; V1141-Q1143 PolarHBondContact O-N 2.9Å |
| 1144 | T | 88 | Confident | 88 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -8.3 | -178.7 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | V1141 D1142 | V1141-T1144 PolarHBondContact O-N 3.08Å; V1141-T1144 PolarHBondContact O-OG1 2.96Å; D1142-T1144 PolarHBondContact O-N 3Å |
| 1145 | L | 91.7 | Very high | 87.2 | Confident | 8 Ų | 8 | 84.1 Ų | 84.1 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -88.4 | 150.8 | -174.7 | -61 | -179.4 | 0 | 0 | 0 | 112.7 | L765 P766 W1137 V1141 D1142 | L765-L1145 HydrophobicContact CB-CD2 4.27Å; L765-L1145 HydrophobicContact CD2-CD1 4.19Å; L765-L1145 HydrophobicContact CD2-CD2 3.74Å; L765-L1145 HydrophobicContact CG-CD2 3.74Å; P766-L1145 HydrophobicContact CG-CD2 4.13Å; W1137-L1145 HydrophobicContact CB-CD1 4.36Å; W1137-L1145 VanDerWaalsContact CD1-CD1 3.4Å; W1137-L1145 HydrophobicContact CG-CD1 3.9Å; V1141-L1145 HydrophobicContact CG1-CD1 4.43Å; D1142-L1145 PolarHBondContact O-N 3.5Å |
| 1146 | P | 89.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 81.6 Ų | 81.6 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | trans | -63.8 | 151.3 | 177.2 | 26.1 | -34.3 | 0 | 0 | 0 | 112.7 | E769 Y1131 R1149 | E769-P1146 HydrophobicContact CB-CG 4.2Å; E769-P1146 WeakPolarHBondContact OE2-CD 3.03Å; Y1131-P1146 HydrophobicContact CD1-CB 3.89Å; Y1131-P1146 HydrophobicContact CD1-CG 3.77Å; Y1131-P1146 HydrophobicContact CD2-CB 3.76Å; Y1131-P1146 HydrophobicContact CD2-CG 4.31Å; Y1131-P1146 HydrophobicContact CE1-CB 4.13Å; Y1131-P1146 HydrophobicContact CE1-CG 4.38Å; Y1131-P1146 HydrophobicContact CE2-CB 4Å; Y1131-P1146 HydrophobicContact CG-CB 3.68Å; Y1131-P1146 HydrophobicContact CG-CG 3.71Å; P1146-R1149 WeakPolarHBondContact O-CD 3.46Å; P1146-R1149 PolarHBondContact O-NH1 3.49Å | ||
| 1147 | K | 87.5 | Confident | 84.9 | Confident | 139 Ų | 139 | 73.5 Ų | 73.5 | 60% | 0.604 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -128.2 | 148.7 | -175.4 | -65.1 | 179.3 | -177.6 | 177.2 | 0 | 110.6 | Y1131 | Y1131-K1147 VanDerWaalsContact CE2-O 3.28Å; Y1131-K1147 WeakPolarHBondContact CE2-O 3.32Å |
| 1148 | P | 91.1 | Very high | 82.7 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | S | Bend | cis | -77.7 | 151 | 6.8 | 31.1 | -34 | 0 | 0 | 0 | 113.5 | C1130 Y1131 | C1130-P1148 CarbonylContact C-O 3.57Å; C1130-P1148 VanDerWaalsContact CA-O 3.28Å; C1130-P1148 WeakPolarHBondContact CA-O 3.39Å; C1130-P1148 HydrophobicContact CB-CG 4.45Å; Y1131-P1148 WeakPolarHBondContact CD2-O 3.31Å; Y1131-P1148 PolarHBondContact N-O 2.98Å |
| 1149 | R | 90.4 | Very high | 80.7 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 142.1 | 177.4 | -56.3 | -61.1 | -67.4 | 162.5 | -1.2 | 110.5 | E769 Y1131 D1142 P1146 | E769-R1149 IonicContact OE1-CZ 3.39Å; E769-R1149 IonicContact OE1-NH1 3.17Å; E769-R1149 PolarHBondContact OE1-NH1 3.34Å; E769-R1149 IonicContact OE1-NH2 3.05Å; E769-R1149 PolarHBondContact OE1-NH2 2.58Å; E769-R1149 IonicContact OE2-CZ 3.52Å; E769-R1149 IonicContact OE2-NH1 3.87Å; E769-R1149 PolarHBondContact OE2-NH1 2.93Å; E769-R1149 IonicContact OE2-NH2 2.82Å; Y1131-R1149 CarbonylContact O-C 3.55Å; Y1131-R1149 WeakPolarHBondContact O-CA 3.28Å; D1142-R1149 IonicContact OD1-NE 3.23Å; P1146-R1149 WeakPolarHBondContact O-CD 3.46Å; P1146-R1149 PolarHBondContact O-NH1 3.49Å |
| 1150 | C | 90.5 | Very high | 78.9 | Confident | 8 Ų | 8 | 77.2 Ų | 77.2 | 5% | 0.054 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 142.5 | 172.1 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | R776 C1130 Y1131 G1132 G1134 | R776-C1150 PolarHBondContact NH2-SG 2.8Å; C1130-C1150 HydrophobicContact CB-CB 3.97Å; C1130-C1150 WeakPolarHBondContact CB-SG 3.36Å; C1130-C1150 PolarHBondContact O-SG 3.21Å; C1130-C1150 VanDerWaalsContact O-SG 3.36Å; C1130-C1150 VanDerWaalsContact SG-CA 3.52Å; C1130-C1150 WeakPolarHBondContact SG-CB 3.44Å; C1130-C1150 CovalentContact SG-SG 2.04Å; C1130-C1150 PolarHBondContact SG-SG 2.83Å; Y1131-C1150 PolarHBondContact N-SG 2.84Å; Y1131-C1150 PolarHBondContact O-N 3.49Å; G1132-C1150 PolarHBondContact O-SG 3.2Å; G1132-C1150 VanDerWaalsContact O-SG 3.37Å; G1134-C1150 WeakPolarHBondContact CA-O 3.37Å; G1134-C1150 PolarHBondContact N-O 3.06Å |
| 1151 | D | 88.5 | Confident | 77.1 | Confident | 131 Ų | 131 | 77.5 Ų | 77.5 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 161.6 | 162.1 | -68.7 | -39.6 | 0 | 0 | 0 | 110.6 | S790 H1153 | S790-D1151 WeakPolarHBondContact CB-O 3.37Å; S790-D1151 PolarHBondContact OG-O 2.94Å; D1151-H1153 PolarHBondContact O-N 2.93Å |
| 1152 | E | 85.2 | Confident | 75.3 | Confident | 101 Ų | 101 | 84.2 Ų | 84.2 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -59.6 | -38.6 | 175.4 | -173.4 | 174.6 | -171.4 | 0 | 0 | 111.3 | I789 S790 | I789-E1152 WeakPolarHBondContact CA-O 3.37Å; I789-E1152 WeakPolarHBondContact CG1-O 3.19Å; S790-E1152 PolarHBondContact N-O 2.93Å; S790-E1152 PolarHBondContact OG-O 3.17Å |
| 1153 | H | 85.1 | Confident | 73.8 | Confident | 134 Ų | 134 | 85.1 Ų | 85.1 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | B | Isolated β-bridge | trans | -98.7 | 127.7 | 177.8 | -63.3 | 77.5 | 0 | 0 | 0 | 110.5 | N788 D1151 | N788-H1153 VanDerWaalsContact O-CA 3.3Å; N788-H1153 WeakPolarHBondContact O-CA 3.49Å; D1151-H1153 PolarHBondContact O-N 2.93Å |
| 1154 | M | 80.9 | Confident | 72.4 | Confident | 51 Ų | 51 | 80 Ų | 80 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | trans | -152.2 | 123.4 | -178.3 | -179 | -177.5 | 179.6 | 0 | 0 | 110.4 | N788 I789 C1130 | N788-M1154 CarbonylContact C-O 3.5Å; N788-M1154 VanDerWaalsContact CA-O 3.26Å; N788-M1154 WeakPolarHBondContact CA-O 3.31Å; N788-M1154 PolarHBondContact O-N 2.79Å; I789-M1154 PolarHBondContact N-O 2.82Å; C1130-M1154 VanDerWaalsContact SG-SD 3.62Å | ||
| 1155 | D | 72.8 | Confident | 71.1 | Confident | 138 Ų | 138 | 81.6 Ų | 81.6 | 74% | 0.738 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 132.9 | 178.2 | -61.1 | -39.9 | 0 | 0 | 0 | 111.7 | ||
| 1156 | W | 74.3 | Confident | 69.8 | Low | 4 Ų | 4 | 84.3 Ų | 84.3 | 2% | 0.015 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 127.6 | -179.3 | -70.3 | 28.7 | 0 | 0 | 0 | 110.9 | R776 L779 Q780 Y783 F787 I789 L792 I796 | R776-W1156 HydrophobicContact CG-CZ2 4.11Å; L779-W1156 HydrophobicContact CB-CH2 4.11Å; L779-W1156 HydrophobicContact CB-CZ3 4.01Å; Q780-W1156 HydrophobicContact CB-CB 4.06Å; Q780-W1156 HydrophobicContact CB-CD2 3.96Å; Q780-W1156 HydrophobicContact CB-CE3 3.89Å; Q780-W1156 HydrophobicContact CB-CG 4.09Å; Q780-W1156 HydrophobicContact CB-CZ3 4.49Å; Y783-W1156 HydrophobicContact CD2-CZ3 4.12Å; Y783-W1156 HydrophobicContact CG-CZ3 4.44Å; F787-W1156 HydrophobicContact CB-CD2 4.17Å; F787-W1156 HydrophobicContact CB-CZ2 4.33Å; F787-W1156 HydrophobicContact CD2-CD2 4.29Å; F787-W1156 AromaticContact CD2-CE3 3.84Å; F787-W1156 HydrophobicContact CD2-CE3 3.84Å; F787-W1156 AromaticContact CD2-CH2 3.87Å; F787-W1156 HydrophobicContact CD2-CH2 3.87Å; F787-W1156 HydrophobicContact CD2-CZ2 4.18Å; F787-W1156 AromaticContact CD2-CZ3 3.69Å; F787-W1156 HydrophobicContact CD2-CZ3 3.69Å; F787-W1156 HydrophobicContact CE2-CZ3 4.27Å; I789-W1156 PolarHBondContact O-NE1 3.12Å; L792-W1156 HydrophobicContact CD2-CH2 4.12Å; L792-W1156 HydrophobicContact CD2-CZ2 4.13Å; I796-W1156 HydrophobicContact CD1-CH2 3.72Å; I796-W1156 HydrophobicContact CD1-CZ3 4.22Å |
| 1157 | P | 54.6 | Low | 68.7 | Low | 59 Ų | 59 | 90.1 Ų | 90.1 | 38% | 0.383 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 157.9 | -166.8 | 26.3 | -35.1 | 0 | 0 | 0 | 117.9 | Q780 V784 | Q780-P1157 VanDerWaalsContact CD-CG 3.48Å; Q780-P1157 HydrophobicContact CG-CG 3.81Å; V784-P1157 WeakPolarHBondContact CG1-O 3.46Å; V784-P1157 WeakPolarHBondContact CG2-O 3.39Å |
| 1158 | F | 41.5 | Very low | 68.1 | Low | 125 Ų | 125 | 84.2 Ų | 84.2 | 55% | 0.548 | 41% | 0.41 | S | S | . | . | trans | -105.8 | 123.3 | -168.8 | -178.7 | -93.2 | 0 | 0 | 0 | 115.8 | V784 D785 Q1160 | V784-F1158 HydrophobicContact CG1-CB 4.03Å; V784-F1158 HydrophobicContact CG1-CD2 3.83Å; V784-F1158 HydrophobicContact CG1-CG 4.34Å; D785-F1158 WeakPolarHBondContact OD2-CD2 3.26Å; F1158-Q1160 HydrophobicContact CE1-CB 4.15Å; F1158-Q1160 HydrophobicContact CZ-CB 4.17Å; F1158-Q1160 HydrophobicContact CZ-CG 4.39Å | ||
| 1159 | D | 47.2 | Very low | 67.3 | Low | 71 Ų | 71 | 83 Ų | 83 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | trans | -138.6 | 114.1 | 167.2 | 179.3 | -13.1 | 0 | 0 | 0 | 110.9 | V1161 K1163 | D1159-V1161 PolarHBondContact OD1-N 3Å; D1159-K1163 VanDerWaalsContact O-CB 3.26Å; D1159-K1163 WeakPolarHBondContact O-CB 3.36Å; D1159-K1163 PolarHBondContact O-N 3.19Å | ||
| 1160 | Q | 47 | Very low | 66.5 | Low | 93 Ų | 93 | 81.2 Ų | 81.2 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -78.9 | -30.2 | -168.5 | -163.6 | 70.5 | -20.5 | 0 | 0 | 114.6 | F1158 | F1158-Q1160 HydrophobicContact CE1-CB 4.15Å; F1158-Q1160 HydrophobicContact CZ-CB 4.17Å; F1158-Q1160 HydrophobicContact CZ-CG 4.39Å |
| 1161 | V | 47 | Very low | 66.2 | Low | 119 Ų | 119 | 82 Ų | 82 | 72% | 0.721 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -80.1 | -41.6 | -175.2 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | D1159 E1165 | D1159-V1161 PolarHBondContact OD1-N 3Å; V1161-E1165 PolarHBondContact O-N 2.96Å |
| 1162 | R | 51.7 | Low | 66.1 | Low | 147 Ų | 147 | 76.5 Ų | 76.5 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.3 | -32.5 | 178.6 | -162.9 | 168.5 | -174.9 | 173.8 | -0.4 | 112.6 | E1165 L1166 | R1162-E1165 PolarHBondContact O-N 3.32Å; R1162-L1166 HydrophobicContact CG-CD1 4.15Å; R1162-L1166 HydrophobicContact CG-CG 4.48Å; R1162-L1166 WeakPolarHBondContact O-CB 3.17Å; R1162-L1166 VanDerWaalsContact O-CG 3.32Å; R1162-L1166 WeakPolarHBondContact O-CG 3.16Å; R1162-L1166 PolarHBondContact O-N 3.1Å |
| 1163 | K | 56.3 | Low | 65.7 | Low | 66 Ų | 66 | 76 Ų | 76 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 175.8 | -175.1 | 172.7 | -176.9 | 170.4 | 0 | 112.3 | V784 D1159 R1167 | V784-K1163 HydrophobicContact CB-CD 4.43Å; D1159-K1163 VanDerWaalsContact O-CB 3.26Å; D1159-K1163 WeakPolarHBondContact O-CB 3.36Å; D1159-K1163 PolarHBondContact O-N 3.19Å; K1163-R1167 WeakPolarHBondContact O-CB 3.49Å; K1163-R1167 PolarHBondContact O-N 3.42Å |
| 1164 | E | 60.2 | Low | 65.4 | Low | 38 Ų | 38 | 70.6 Ų | 70.6 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | -179.9 | -68.8 | -74.6 | -170.9 | 0 | 0 | 112.3 | R1167 L1168 | E1164-R1167 PolarHBondContact O-N 3.16Å; E1164-L1168 WeakPolarHBondContact O-CB 3.34Å; E1164-L1168 PolarHBondContact O-N 2.73Å |
| 1165 | E | 59.3 | Low | 65.7 | Low | 117 Ų | 117 | 68.2 Ų | 68.2 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 176.5 | -174 | 175 | -163.3 | 0 | 0 | 112.2 | V1161 R1162 L1168 N1169 | V1161-E1165 PolarHBondContact O-N 2.96Å; R1162-E1165 PolarHBondContact O-N 3.32Å; E1165-L1168 PolarHBondContact O-N 2.93Å; E1165-N1169 WeakPolarHBondContact O-CB 3.12Å; E1165-N1169 VanDerWaalsContact O-CG 3.31Å; E1165-N1169 PolarHBondContact O-N 2.04Å; E1165-N1169 PolarHBondContact O-ND2 2.81Å |
| 1166 | L | 64 | Low | 66.4 | Low | 65 Ų | 65 | 63.3 Ų | 63.3 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 173.4 | -75.1 | 171.2 | 0 | 0 | 0 | 111.1 | R1162 L1168 N1169 D1170 | R1162-L1166 HydrophobicContact CG-CD1 4.15Å; R1162-L1166 HydrophobicContact CG-CG 4.48Å; R1162-L1166 WeakPolarHBondContact O-CB 3.17Å; R1162-L1166 VanDerWaalsContact O-CG 3.32Å; R1162-L1166 WeakPolarHBondContact O-CG 3.16Å; R1162-L1166 PolarHBondContact O-N 3.1Å; L1166-L1168 VanDerWaalsContact C-N 3.33Å; L1166-L1168 PolarHBondContact O-N 3.42Å; L1166-N1169 PolarHBondContact O-N 2.81Å; L1166-D1170 VanDerWaalsContact O-CB 3.23Å; L1166-D1170 WeakPolarHBondContact O-CB 3.14Å; L1166-D1170 PolarHBondContact O-N 2.95Å |
| 1167 | R | 68.3 | Low | 66.7 | Low | 144 Ų | 144 | 66.1 Ų | 66.1 | 54% | 0.543 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 177.8 | -170 | -178.3 | -174.6 | 178.5 | 2.9 | 112 | K1163 E1164 F1171 L1226 | K1163-R1167 WeakPolarHBondContact O-CB 3.49Å; K1163-R1167 PolarHBondContact O-N 3.42Å; E1164-R1167 PolarHBondContact O-N 3.16Å; R1167-F1171 WeakPolarHBondContact O-CB 3.44Å; R1167-F1171 PolarHBondContact O-N 3.19Å; R1167-L1226 HydrophobicContact CG-CD2 4.02Å |
| 1168 | L | 74.3 | Confident | 68.1 | Low | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -50 | 175.1 | 174.6 | 68.5 | 0 | 0 | 0 | 112 | E1164 E1165 L1166 D1170 F1171 L1172 L1226 I1231 L1240 | E1164-L1168 WeakPolarHBondContact O-CB 3.34Å; E1164-L1168 PolarHBondContact O-N 2.73Å; E1165-L1168 PolarHBondContact O-N 2.93Å; L1166-L1168 VanDerWaalsContact C-N 3.33Å; L1166-L1168 PolarHBondContact O-N 3.42Å; L1168-D1170 VanDerWaalsContact C-N 3.3Å; L1168-D1170 PolarHBondContact O-N 3.32Å; L1168-F1171 PolarHBondContact O-N 3.46Å; L1168-L1172 HydrophobicContact CD1-CD1 4.1Å; L1168-L1172 HydrophobicContact CD1-CG 4.13Å; L1168-L1172 HydrophobicContact CG-CD1 4.16Å; L1168-L1172 HydrophobicContact CG-CG 4.47Å; L1168-L1172 WeakPolarHBondContact O-CG 3.46Å; L1168-L1172 PolarHBondContact O-N 3.36Å; L1168-L1226 HydrophobicContact CD1-CD1 4.08Å; L1168-I1231 HydrophobicContact CD1-CD1 3.63Å; L1168-I1231 HydrophobicContact CD2-CB 4.37Å; L1168-I1231 HydrophobicContact CD2-CD1 3.49Å; L1168-I1231 VanDerWaalsContact CD2-CD1 3.49Å; L1168-I1231 HydrophobicContact CD2-CG1 3.55Å; L1168-I1231 HydrophobicContact CD2-CG2 4.03Å; L1168-I1231 HydrophobicContact CG-CD1 4.21Å; L1168-L1240 HydrophobicContact CD1-CD1 4.34Å; L1168-L1240 HydrophobicContact CD1-CD2 3.98Å |
| 1169 | N | 74.3 | Confident | 70.4 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | -178.1 | -72.3 | -33.9 | 0 | 0 | 0 | 111.4 | E1165 L1166 R1173 K1236 | E1165-N1169 WeakPolarHBondContact O-CB 3.12Å; E1165-N1169 VanDerWaalsContact O-CG 3.31Å; E1165-N1169 PolarHBondContact O-N 2.04Å; E1165-N1169 PolarHBondContact O-ND2 2.81Å; L1166-N1169 PolarHBondContact O-N 2.81Å; N1169-R1173 WeakPolarHBondContact O-CB 3.46Å; N1169-R1173 PolarHBondContact O-N 3.37Å; N1169-K1236 PolarHBondContact OD1-NZ 3.01Å |
| 1170 | D | 74.4 | Confident | 72.3 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 175.4 | -161.9 | 74.4 | 0 | 0 | 0 | 111.9 | T697 L1166 L1168 R1173 T1174 | T697-D1170 WeakPolarHBondContact CB-OD2 3.32Å; T697-D1170 WeakPolarHBondContact CG2-OD1 3.16Å; T697-D1170 PolarHBondContact N-OD2 2.99Å; T697-D1170 PolarHBondContact OG1-OD2 2.83Å; L1166-D1170 VanDerWaalsContact O-CB 3.23Å; L1166-D1170 WeakPolarHBondContact O-CB 3.14Å; L1166-D1170 PolarHBondContact O-N 2.95Å; L1168-D1170 VanDerWaalsContact C-N 3.3Å; L1168-D1170 PolarHBondContact O-N 3.32Å; D1170-R1173 PolarHBondContact O-N 3.43Å; D1170-T1174 VanDerWaalsContact O-CB 3.27Å; D1170-T1174 WeakPolarHBondContact O-CB 3.46Å; D1170-T1174 PolarHBondContact O-N 2.82Å; D1170-T1174 PolarHBondContact O-OG1 3.39Å |
| 1171 | F | 84 | Confident | 74 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -50.9 | 173.3 | 173 | -101.1 | 0 | 0 | 0 | 111.5 | R1167 L1168 R1173 T1174 N1175 Q1219 A1222 A1223 L1226 L1240 I1243 | R1167-F1171 WeakPolarHBondContact O-CB 3.44Å; R1167-F1171 PolarHBondContact O-N 3.19Å; L1168-F1171 PolarHBondContact O-N 3.46Å; F1171-R1173 VanDerWaalsContact C-N 3.32Å; F1171-R1173 PolarHBondContact O-N 2.85Å; F1171-T1174 PolarHBondContact O-N 3.25Å; F1171-N1175 HydrophobicContact CE1-CB 4.41Å; F1171-N1175 HydrophobicContact CE2-CB 4.38Å; F1171-N1175 HydrophobicContact CZ-CB 4.19Å; F1171-N1175 WeakPolarHBondContact O-CB 3.45Å; F1171-N1175 PolarHBondContact O-N 3.29Å; F1171-Q1219 WeakPolarHBondContact CZ-O 3.13Å; F1171-A1222 HydrophobicContact CD2-CB 4.17Å; F1171-A1222 HydrophobicContact CE2-CB 3.52Å; F1171-A1222 HydrophobicContact CZ-CB 4.3Å; F1171-A1223 HydrophobicContact CE1-CB 3.71Å; F1171-A1223 HydrophobicContact CZ-CB 3.61Å; F1171-L1226 HydrophobicContact CB-CD1 3.82Å; F1171-L1226 HydrophobicContact CD1-CD1 3.42Å; F1171-L1226 VanDerWaalsContact CD1-CD1 3.42Å; F1171-L1226 HydrophobicContact CD2-CD1 4.38Å; F1171-L1226 HydrophobicContact CE1-CD1 4.12Å; F1171-L1226 HydrophobicContact CG-CD1 3.58Å; F1171-L1240 HydrophobicContact CD1-CD1 3.98Å; F1171-L1240 HydrophobicContact CE1-CD1 3.67Å; F1171-I1243 HydrophobicContact CE1-CD1 4.12Å; F1171-I1243 HydrophobicContact CE1-CG2 4.04Å; F1171-I1243 HydrophobicContact CZ-CG2 3.75Å |
| 1172 | L | 85 | Confident | 75.9 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | -178.5 | -70.1 | 178.9 | 0 | 0 | 0 | 111.9 | L1168 E1176 K1236 L1239 L1240 I1243 | L1168-L1172 HydrophobicContact CD1-CD1 4.1Å; L1168-L1172 HydrophobicContact CD1-CG 4.13Å; L1168-L1172 HydrophobicContact CG-CD1 4.16Å; L1168-L1172 HydrophobicContact CG-CG 4.47Å; L1168-L1172 WeakPolarHBondContact O-CG 3.46Å; L1168-L1172 PolarHBondContact O-N 3.36Å; L1172-E1176 WeakPolarHBondContact O-CB 3.39Å; L1172-E1176 PolarHBondContact O-N 2.89Å; L1172-K1236 HydrophobicContact CD1-CB 4.02Å; L1172-K1236 HydrophobicContact CD1-CD 4.16Å; L1172-K1236 HydrophobicContact CD1-CG 3.9Å; L1172-L1239 HydrophobicContact CD1-CD2 4.5Å; L1172-L1239 HydrophobicContact CD2-CD2 3.92Å; L1172-L1239 HydrophobicContact CD2-CG 4.01Å; L1172-L1240 HydrophobicContact CD2-CD1 4.48Å; L1172-I1243 HydrophobicContact CD2-CD1 3.67Å |
| 1173 | R | 78.3 | Confident | 77.8 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 34% | 0.34 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.3 | -49.5 | 176 | 178.9 | -175 | 167.9 | 179.3 | -2.8 | 111.9 | N695 N1169 D1170 F1171 E1176 I1177 | N695-R1173 PolarHBondContact OD1-NH2 2.87Å; N695-R1173 VanDerWaalsContact OD1-NH2 3.1Å; N1169-R1173 WeakPolarHBondContact O-CB 3.46Å; N1169-R1173 PolarHBondContact O-N 3.37Å; D1170-R1173 PolarHBondContact O-N 3.43Å; F1171-R1173 VanDerWaalsContact C-N 3.32Å; F1171-R1173 PolarHBondContact O-N 2.85Å; R1173-E1176 PolarHBondContact O-N 2.87Å; R1173-I1177 HydrophobicContact CG-CD1 4.25Å; R1173-I1177 WeakPolarHBondContact O-CG1 3.46Å; R1173-I1177 PolarHBondContact O-N 2.95Å; R1173-I1177 VanDerWaalsContact O-N 3.12Å |
| 1174 | T | 78.4 | Confident | 79.5 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | -178.7 | -60.8 | 0 | 0 | 0 | 0 | 111 | N695 D1170 F1171 E1176 I1177 K1178 | N695-T1174 PolarHBondContact O-OG1 2.63Å; D1170-T1174 VanDerWaalsContact O-CB 3.27Å; D1170-T1174 WeakPolarHBondContact O-CB 3.46Å; D1170-T1174 PolarHBondContact O-N 2.82Å; D1170-T1174 PolarHBondContact O-OG1 3.39Å; F1171-T1174 PolarHBondContact O-N 3.25Å; T1174-E1176 VanDerWaalsContact C-N 3.33Å; T1174-E1176 PolarHBondContact O-N 3.07Å; T1174-I1177 PolarHBondContact O-N 3.47Å; T1174-K1178 HydrophobicContact CG2-CD 4.06Å; T1174-K1178 HydrophobicContact CG2-CG 4.35Å; T1174-K1178 WeakPolarHBondContact O-CB 3.38Å; T1174-K1178 WeakPolarHBondContact O-CG 3.36Å; T1174-K1178 PolarHBondContact O-N 3.05Å |
| 1175 | N | 87.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.3 | -46.7 | 173.2 | 172.7 | 86.6 | 0 | 0 | 0 | 110.7 | F1171 I1177 K1178 M1179 Q1219 I1243 | F1171-N1175 HydrophobicContact CE1-CB 4.41Å; F1171-N1175 HydrophobicContact CE2-CB 4.38Å; F1171-N1175 HydrophobicContact CZ-CB 4.19Å; F1171-N1175 WeakPolarHBondContact O-CB 3.45Å; F1171-N1175 PolarHBondContact O-N 3.29Å; N1175-I1177 PolarHBondContact O-N 3.36Å; N1175-K1178 PolarHBondContact O-N 3.15Å; N1175-M1179 WeakPolarHBondContact O-CB 3.13Å; N1175-M1179 WeakPolarHBondContact O-CG 3.06Å; N1175-M1179 PolarHBondContact O-N 3.22Å; N1175-Q1219 VanDerWaalsContact OD1-CB 3.25Å; N1175-Q1219 WeakPolarHBondContact OD1-CB 3.32Å; N1175-Q1219 WeakPolarHBondContact OD1-CG 3.29Å; N1175-I1243 HydrophobicContact CB-CD1 4.43Å; N1175-I1243 WeakPolarHBondContact ND2-CD1 3.43Å; N1175-I1243 WeakPolarHBondContact OD1-CG2 3.04Å |
| 1176 | E | 87.6 | Confident | 82.1 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 16% | 0.159 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 178.9 | -179.9 | 59.1 | -165.5 | 0 | 0 | 111.9 | L1172 R1173 T1174 M1179 Q1180 P1529 V1530 | L1172-E1176 WeakPolarHBondContact O-CB 3.39Å; L1172-E1176 PolarHBondContact O-N 2.89Å; R1173-E1176 PolarHBondContact O-N 2.87Å; T1174-E1176 VanDerWaalsContact C-N 3.33Å; T1174-E1176 PolarHBondContact O-N 3.07Å; E1176-M1179 PolarHBondContact O-N 3.4Å; E1176-Q1180 WeakPolarHBondContact O-CB 3.14Å; E1176-Q1180 PolarHBondContact O-N 2.86Å; E1176-P1529 VanDerWaalsContact CD-CA 3.47Å; E1176-P1529 WeakPolarHBondContact OE1-CA 3.31Å; E1176-P1529 WeakPolarHBondContact OE2-CA 3.34Å; E1176-P1529 VanDerWaalsContact OE2-CB 3.3Å; E1176-P1529 WeakPolarHBondContact OE2-CB 3.31Å; E1176-V1530 VanDerWaalsContact CD-N 3.3Å; E1176-V1530 WeakPolarHBondContact OE1-CG2 3.43Å; E1176-V1530 PolarHBondContact OE1-N 3.29Å; E1176-V1530 PolarHBondContact OE2-N 3.25Å |
| 1177 | I | 79.7 | Confident | 83.4 | Confident | 63 Ų | 63 | 41.3 Ų | 41.3 | 32% | 0.323 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 178.9 | -65.4 | 167.8 | 0 | 0 | 0 | 111 | N695 R1173 T1174 N1175 Q1180 A1181 | N695-I1177 HydrophobicContact CB-CD1 4.09Å; R1173-I1177 HydrophobicContact CG-CD1 4.25Å; R1173-I1177 WeakPolarHBondContact O-CG1 3.46Å; R1173-I1177 PolarHBondContact O-N 2.95Å; R1173-I1177 VanDerWaalsContact O-N 3.12Å; T1174-I1177 PolarHBondContact O-N 3.47Å; N1175-I1177 PolarHBondContact O-N 3.36Å; I1177-Q1180 PolarHBondContact O-N 3.22Å; I1177-A1181 PolarHBondContact O-N 3.22Å; I1177-A1181 VanDerWaalsContact O-N 3.1Å |
| 1178 | K | 84.5 | Confident | 84.5 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 27% | 0.274 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 179.2 | -78.1 | -176.7 | 171.9 | -169.2 | 0 | 111.4 | T1174 N1175 A1182 L1215 E1218 | T1174-K1178 HydrophobicContact CG2-CD 4.06Å; T1174-K1178 HydrophobicContact CG2-CG 4.35Å; T1174-K1178 WeakPolarHBondContact O-CB 3.38Å; T1174-K1178 WeakPolarHBondContact O-CG 3.36Å; T1174-K1178 PolarHBondContact O-N 3.05Å; N1175-K1178 PolarHBondContact O-N 3.15Å; K1178-A1182 PolarHBondContact O-N 3.1Å; K1178-A1182 VanDerWaalsContact O-N 3.1Å; K1178-L1215 HydrophobicContact CB-CD2 4.16Å; K1178-L1215 HydrophobicContact CD-CD1 4.31Å; K1178-L1215 WeakPolarHBondContact O-CD2 3.25Å; K1178-E1218 IonicContact NZ-OE1 3.87Å |
| 1179 | M | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 177.7 | -72.4 | -67.7 | 105.3 | 0 | 0 | 111.1 | N1175 E1176 A1181 A1182 Y1183 L1215 E1216 Q1219 V1530 | N1175-M1179 WeakPolarHBondContact O-CB 3.13Å; N1175-M1179 WeakPolarHBondContact O-CG 3.06Å; N1175-M1179 PolarHBondContact O-N 3.22Å; E1176-M1179 PolarHBondContact O-N 3.4Å; M1179-A1181 VanDerWaalsContact C-N 3.32Å; M1179-A1181 PolarHBondContact O-N 3.27Å; M1179-A1182 PolarHBondContact O-N 3.06Å; M1179-Y1183 WeakPolarHBondContact O-CB 3.28Å; M1179-Y1183 VanDerWaalsContact O-CD2 3.24Å; M1179-Y1183 WeakPolarHBondContact O-CD2 3.31Å; M1179-Y1183 PolarHBondContact O-N 2.85Å; M1179-Y1183 HydrophobicContact SD-CE2 4.1Å; M1179-L1215 HydrophobicContact CE-CB 4.14Å; M1179-L1215 HydrophobicContact CE-CD2 3.57Å; M1179-L1215 HydrophobicContact CE-CG 3.43Å; M1179-L1215 VanDerWaalsContact CE-CG 3.43Å; M1179-E1216 HydrophobicContact CE-CG 4.08Å; M1179-E1216 HydrophobicContact SD-CG 3.8Å; M1179-Q1219 HydrophobicContact CE-CB 4.31Å; M1179-Q1219 HydrophobicContact CE-CG 3.74Å; M1179-V1530 HydrophobicContact CB-CB 4.11Å; M1179-V1530 HydrophobicContact CB-CG1 4.07Å; M1179-V1530 HydrophobicContact CB-CG2 4.46Å |
| 1180 | Q | 87.5 | Confident | 85.8 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.5 | -44.6 | -179 | -168.2 | 179 | 7.1 | 0 | 0 | 111.7 | E1176 I1177 Q1184 Y1491 V1530 | E1176-Q1180 WeakPolarHBondContact O-CB 3.14Å; E1176-Q1180 PolarHBondContact O-N 2.86Å; I1177-Q1180 PolarHBondContact O-N 3.22Å; Q1180-Q1184 WeakPolarHBondContact O-CB 3.33Å; Q1180-Q1184 PolarHBondContact O-N 2.99Å; Q1180-Y1491 WeakPolarHBondContact CG-O 3.39Å; Q1180-Y1491 PolarHBondContact NE2-O 3.36Å; Q1180-V1530 HydrophobicContact CB-CG2 3.73Å; Q1180-V1530 HydrophobicContact CG-CG2 4.1Å |
| 1181 | A | 82.9 | Confident | 86.6 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63 | -47.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1177 M1179 Q1184 Q1185 | I1177-A1181 PolarHBondContact O-N 3.22Å; I1177-A1181 VanDerWaalsContact O-N 3.1Å; M1179-A1181 VanDerWaalsContact C-N 3.32Å; M1179-A1181 PolarHBondContact O-N 3.27Å; A1181-Q1184 PolarHBondContact O-N 3.21Å; A1181-Q1185 WeakPolarHBondContact O-CB 3.47Å; A1181-Q1185 PolarHBondContact O-N 3.29Å |
| 1182 | A | 87.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 46 Ų | 46 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1178 M1179 Q1185 A1186 R1212 L1215 | K1178-A1182 PolarHBondContact O-N 3.1Å; K1178-A1182 VanDerWaalsContact O-N 3.1Å; M1179-A1182 PolarHBondContact O-N 3.06Å; A1182-Q1185 PolarHBondContact O-N 3.06Å; A1182-A1186 WeakPolarHBondContact O-CB 3.33Å; A1182-A1186 PolarHBondContact O-N 2.99Å; A1182-R1212 HydrophobicContact CB-CB 4.37Å; A1182-R1212 HydrophobicContact CB-CG 4.28Å; A1182-L1215 HydrophobicContact CB-CD2 3.52Å |
| 1183 | Y | 91.8 | Very high | 86.5 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 13% | 0.129 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 174.9 | -89.5 | -101.6 | 0 | 0 | 0 | 111.9 | M1179 Q1185 A1186 A1187 R1212 E1216 Y1491 V1530 | M1179-Y1183 WeakPolarHBondContact O-CB 3.28Å; M1179-Y1183 VanDerWaalsContact O-CD2 3.24Å; M1179-Y1183 WeakPolarHBondContact O-CD2 3.31Å; M1179-Y1183 PolarHBondContact O-N 2.85Å; M1179-Y1183 HydrophobicContact SD-CE2 4.1Å; Y1183-Q1185 PolarHBondContact O-N 3.09Å; Y1183-A1186 PolarHBondContact O-N 3.34Å; Y1183-A1187 VanDerWaalsContact O-CB 3.31Å; Y1183-A1187 WeakPolarHBondContact O-CB 3.35Å; Y1183-A1187 PolarHBondContact O-N 2.9Å; Y1183-R1212 HydrophobicContact CD2-CG 4Å; Y1183-R1212 HydrophobicContact CE2-CG 4.08Å; Y1183-R1212 PolarHBondContact OH-NH1 2.73Å; Y1183-E1216 HydrophobicContact CE2-CG 4.44Å; Y1183-E1216 VanDerWaalsContact CE2-OE1 3.23Å; Y1183-E1216 WeakPolarHBondContact CE2-OE1 3.44Å; Y1183-E1216 PolarHBondContact OH-OE1 3.49Å; Y1183-Y1491 AromaticContact CD1-CD1 3.98Å; Y1183-Y1491 HydrophobicContact CD1-CD1 3.98Å; Y1183-Y1491 HydrophobicContact CD1-CD2 4.19Å; Y1183-Y1491 AromaticContact CD1-CE1 3.48Å; Y1183-Y1491 HydrophobicContact CD1-CE1 3.48Å; Y1183-Y1491 VanDerWaalsContact CD1-CE1 3.48Å; Y1183-Y1491 AromaticContact CD1-CE2 3.71Å; Y1183-Y1491 HydrophobicContact CD1-CE2 3.71Å; Y1183-Y1491 HydrophobicContact CD1-CG 4.32Å; Y1183-Y1491 AromaticContact CD1-CZ 3.34Å; Y1183-Y1491 HydrophobicContact CE1-CE1 4.09Å; Y1183-Y1491 AromaticContact CE1-CZ 3.95Å; Y1183-Y1491 HydrophobicContact CG-CD1 4.19Å; Y1183-Y1491 HydrophobicContact CG-CE1 4.14Å; Y1183-Y1491 HydrophobicContact CG-CE2 4.47Å; Y1183-Y1491 HydrophobicContact CG-CG 4.4Å; Y1183-V1530 HydrophobicContact CD1-CG1 4.06Å; Y1183-V1530 HydrophobicContact CD2-CG1 3.54Å; Y1183-V1530 HydrophobicContact CE1-CG1 4.23Å; Y1183-V1530 HydrophobicContact CE2-CG1 3.77Å; Y1183-V1530 HydrophobicContact CG-CG1 3.66Å |
| 1184 | Q | 90.8 | Very high | 86.6 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 175 | 177.2 | 173.1 | 36.8 | 0 | 0 | 111.9 | Q1180 A1181 K1188 F1490 | Q1180-Q1184 WeakPolarHBondContact O-CB 3.33Å; Q1180-Q1184 PolarHBondContact O-N 2.99Å; A1181-Q1184 PolarHBondContact O-N 3.21Å; Q1184-K1188 HydrophobicContact CG-CD 4.15Å; Q1184-K1188 WeakPolarHBondContact O-CB 3.47Å; Q1184-K1188 VanDerWaalsContact O-CG 3.31Å; Q1184-K1188 WeakPolarHBondContact O-CG 3.21Å; Q1184-K1188 PolarHBondContact O-N 2.96Å; Q1184-F1490 WeakPolarHBondContact CB-O 3.06Å; Q1184-F1490 VanDerWaalsContact CG-O 3.26Å; Q1184-F1490 WeakPolarHBondContact CG-O 3.45Å |
| 1185 | Q | 86.5 | Confident | 86.6 | Confident | 104 Ų | 104 | 45.3 Ų | 45.3 | 49% | 0.486 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 177.5 | -175.8 | 177 | -23.6 | 0 | 0 | 111.3 | A1181 A1182 Y1183 K1188 A1189 A1208 E1211 | A1181-Q1185 WeakPolarHBondContact O-CB 3.47Å; A1181-Q1185 PolarHBondContact O-N 3.29Å; A1182-Q1185 PolarHBondContact O-N 3.06Å; Y1183-Q1185 PolarHBondContact O-N 3.09Å; Q1185-K1188 PolarHBondContact O-N 3.14Å; Q1185-A1189 WeakPolarHBondContact O-CB 3.46Å; Q1185-A1189 PolarHBondContact O-N 3.49Å; Q1185-A1208 HydrophobicContact CG-CB 4.42Å; Q1185-E1211 PolarHBondContact NE2-OE2 3.45Å |
| 1186 | A | 87.8 | Confident | 86.1 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1182 Y1183 K1188 A1189 E1190 V1209 R1212 | A1182-A1186 WeakPolarHBondContact O-CB 3.33Å; A1182-A1186 PolarHBondContact O-N 2.99Å; Y1183-A1186 PolarHBondContact O-N 3.34Å; A1186-K1188 PolarHBondContact O-N 3.45Å; A1186-A1189 PolarHBondContact O-N 3.32Å; A1186-E1190 WeakPolarHBondContact O-CB 3.42Å; A1186-E1190 PolarHBondContact O-N 2.88Å; A1186-V1209 HydrophobicContact CB-CG2 4.33Å; A1186-R1212 HydrophobicContact CB-CB 4.48Å |
| 1187 | A | 92 | Very high | 85.3 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1183 E1190 W1191 M1488 D1489 Y1491 | Y1183-A1187 VanDerWaalsContact O-CB 3.31Å; Y1183-A1187 WeakPolarHBondContact O-CB 3.35Å; Y1183-A1187 PolarHBondContact O-N 2.9Å; A1187-E1190 PolarHBondContact O-N 3.3Å; A1187-W1191 WeakPolarHBondContact O-CB 3.35Å; A1187-W1191 PolarHBondContact O-N 2.85Å; A1187-M1488 HydrophobicContact CB-SD 3.9Å; A1187-M1488 WeakPolarHBondContact O-CE 3.42Å; A1187-D1489 WeakPolarHBondContact CB-O 3.21Å; A1187-Y1491 HydrophobicContact CB-CD2 4.1Å; A1187-Y1491 HydrophobicContact CB-CE2 4.46Å |
| 1188 | K | 90.9 | Very high | 85 | Confident | 94 Ų | 94 | 48.6 Ų | 48.6 | 41% | 0.409 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 174.8 | -76.5 | 177.3 | 179.6 | 177.2 | 0 | 112.3 | Q1184 Q1185 A1186 W1191 R1192 F1490 | Q1184-K1188 HydrophobicContact CG-CD 4.15Å; Q1184-K1188 WeakPolarHBondContact O-CB 3.47Å; Q1184-K1188 VanDerWaalsContact O-CG 3.31Å; Q1184-K1188 WeakPolarHBondContact O-CG 3.21Å; Q1184-K1188 PolarHBondContact O-N 2.96Å; Q1185-K1188 PolarHBondContact O-N 3.14Å; A1186-K1188 PolarHBondContact O-N 3.45Å; K1188-W1191 PolarHBondContact O-N 2.97Å; K1188-R1192 VanDerWaalsContact O-CG 3.3Å; K1188-R1192 WeakPolarHBondContact O-CG 3.37Å; K1188-R1192 PolarHBondContact O-N 3.24Å; K1188-F1490 HydrophobicContact CG-CD1 4.05Å |
| 1189 | A | 87.5 | Confident | 84.3 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1185 A1186 R1192 Y1193 M1205 A1208 | Q1185-A1189 WeakPolarHBondContact O-CB 3.46Å; Q1185-A1189 PolarHBondContact O-N 3.49Å; A1186-A1189 PolarHBondContact O-N 3.32Å; A1189-R1192 WeakPolarHBondContact O-CB 3.38Å; A1189-R1192 PolarHBondContact O-N 3.31Å; A1189-Y1193 PolarHBondContact O-N 3.47Å; A1189-M1205 HydrophobicContact CB-CB 4.34Å; A1189-A1208 HydrophobicContact CB-CB 3.85Å |
| 1190 | E | 88.1 | Confident | 83.4 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 172.4 | -176.7 | 177.1 | 178.3 | 0 | 0 | 111.4 | A1186 A1187 R1192 Y1193 V1194 M1205 M1488 | A1186-E1190 WeakPolarHBondContact O-CB 3.42Å; A1186-E1190 PolarHBondContact O-N 2.88Å; A1187-E1190 PolarHBondContact O-N 3.3Å; E1190-R1192 VanDerWaalsContact C-N 3.33Å; E1190-R1192 PolarHBondContact O-N 2.78Å; E1190-Y1193 CarbonylContact O-C 3Å; E1190-Y1193 WeakPolarHBondContact O-CA 3.4Å; E1190-Y1193 WeakPolarHBondContact O-CB 3.37Å; E1190-Y1193 PolarHBondContact O-N 3.45Å; E1190-V1194 WeakPolarHBondContact O-CG2 3.49Å; E1190-V1194 PolarHBondContact O-N 3.21Å; E1190-M1205 HydrophobicContact CB-CG 3.99Å; E1190-M1205 HydrophobicContact CB-SD 4.08Å; E1190-M1205 HydrophobicContact CG-SD 3.97Å; E1190-M1488 HydrophobicContact CB-CE 3.76Å; E1190-M1488 HydrophobicContact CG-CE 3.64Å |
| 1191 | W | 90.6 | Very high | 83 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 176.6 | -169.7 | -109.6 | 0 | 0 | 0 | 112.2 | A1187 K1188 Y1193 V1194 V1195 N1470 I1472 M1488 F1490 A1497 | A1187-W1191 WeakPolarHBondContact O-CB 3.35Å; A1187-W1191 PolarHBondContact O-N 2.85Å; K1188-W1191 PolarHBondContact O-N 2.97Å; W1191-Y1193 VanDerWaalsContact C-N 3.28Å; W1191-Y1193 PolarHBondContact O-N 3.36Å; W1191-V1194 HydrophobicContact CE3-CB 4.42Å; W1191-V1194 HydrophobicContact CE3-CG1 4.37Å; W1191-V1194 HydrophobicContact CZ3-CG1 4.21Å; W1191-V1194 PolarHBondContact O-N 3.46Å; W1191-V1194 VanDerWaalsContact O-N 3.17Å; W1191-V1195 HydrophobicContact CD2-CG2 4.37Å; W1191-V1195 HydrophobicContact CG-CG2 4.36Å; W1191-V1195 HydrophobicContact CZ2-CG2 4.33Å; W1191-V1195 WeakPolarHBondContact O-CB 3.18Å; W1191-V1195 WeakPolarHBondContact O-CG2 3.26Å; W1191-V1195 PolarHBondContact O-N 2.92Å; W1191-N1470 VanDerWaalsContact CZ2-O 3.25Å; W1191-N1470 WeakPolarHBondContact CZ2-O 2.9Å; W1191-I1472 HydrophobicContact CZ2-CD1 4.35Å; W1191-I1472 HydrophobicContact CZ2-CG1 4.5Å; W1191-M1488 HydrophobicContact CB-CE 4.3Å; W1191-M1488 HydrophobicContact CE3-CB 3.95Å; W1191-M1488 HydrophobicContact CE3-CE 4.38Å; W1191-M1488 HydrophobicContact CE3-CG 4.22Å; W1191-M1488 HydrophobicContact CZ3-CB 4.16Å; W1191-F1490 HydrophobicContact CB-CE1 3.67Å; W1191-F1490 HydrophobicContact CB-CZ 3.98Å; W1191-F1490 AromaticContact CD1-CE1 3.96Å; W1191-F1490 AromaticContact CD1-CZ 3.74Å; W1191-F1490 HydrophobicContact CD2-CE1 4.39Å; W1191-F1490 AromaticContact CD2-CZ 3.77Å; W1191-F1490 HydrophobicContact CD2-CZ 3.77Å; W1191-F1490 HydrophobicContact CE3-CZ 4.37Å; W1191-F1490 AromaticContact CG-CE1 3.71Å; W1191-F1490 HydrophobicContact CG-CE1 3.71Å; W1191-F1490 AromaticContact CG-CZ 3.54Å; W1191-F1490 HydrophobicContact CG-CZ 3.54Å; W1191-A1497 HydrophobicContact CH2-CB 3.78Å; W1191-A1497 HydrophobicContact CZ2-CB 3.79Å; W1191-A1497 HydrophobicContact CZ3-CB 4.27Å |
| 1192 | R | 85.2 | Confident | 82.7 | Confident | 155 Ų | 155 | 53.7 Ų | 53.7 | 59% | 0.585 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -37.6 | 173.7 | -76.8 | 174.2 | -179.9 | -179.7 | 0.2 | 112.2 | K1188 A1189 E1190 S1196 N1201 | K1188-R1192 VanDerWaalsContact O-CG 3.3Å; K1188-R1192 WeakPolarHBondContact O-CG 3.37Å; K1188-R1192 PolarHBondContact O-N 3.24Å; A1189-R1192 WeakPolarHBondContact O-CB 3.38Å; A1189-R1192 PolarHBondContact O-N 3.31Å; E1190-R1192 VanDerWaalsContact C-N 3.33Å; E1190-R1192 PolarHBondContact O-N 2.78Å; R1192-S1196 WeakPolarHBondContact O-CB 3.4Å; R1192-S1196 PolarHBondContact O-N 3.1Å; R1192-S1196 PolarHBondContact O-OG 3.44Å; R1192-S1196 VanDerWaalsContact O-OG 3.12Å; R1192-N1201 PolarHBondContact O-ND2 3.41Å; R1192-N1201 VanDerWaalsContact O-ND2 3.1Å |
| 1193 | Y | 82.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 173 | 174.5 | -109.6 | 0 | 0 | 0 | 111.9 | A1189 E1190 W1191 V1195 S1196 K1197 N1201 E1202 M1205 K1270 | A1189-Y1193 PolarHBondContact O-N 3.47Å; E1190-Y1193 CarbonylContact O-C 3Å; E1190-Y1193 WeakPolarHBondContact O-CA 3.4Å; E1190-Y1193 WeakPolarHBondContact O-CB 3.37Å; E1190-Y1193 PolarHBondContact O-N 3.45Å; W1191-Y1193 VanDerWaalsContact C-N 3.28Å; W1191-Y1193 PolarHBondContact O-N 3.36Å; Y1193-V1195 VanDerWaalsContact C-N 3.26Å; Y1193-V1195 PolarHBondContact O-N 3.38Å; Y1193-S1196 PolarHBondContact O-N 2.94Å; Y1193-K1197 WeakPolarHBondContact O-CA 3.13Å; Y1193-K1197 VanDerWaalsContact O-CG 3.29Å; Y1193-K1197 WeakPolarHBondContact O-CG 3.19Å; Y1193-K1197 PolarHBondContact O-N 2.81Å; Y1193-N1201 HydrophobicContact CD2-CB 4.46Å; Y1193-E1202 HydrophobicContact CD2-CB 3.72Å; Y1193-E1202 HydrophobicContact CD2-CG 4.38Å; Y1193-E1202 HydrophobicContact CE2-CB 3.5Å; Y1193-E1202 VanDerWaalsContact CE2-CB 3.5Å; Y1193-E1202 HydrophobicContact CE2-CG 3.87Å; Y1193-E1202 PolarHBondContact OH-OE1 3.36Å; Y1193-M1205 HydrophobicContact CD1-CE 4.31Å; Y1193-M1205 HydrophobicContact CD1-SD 3.82Å; Y1193-M1205 HydrophobicContact CG-SD 4.21Å; Y1193-K1270 PolarHBondContact OH-NZ 2.99Å |
| 1194 | V | 80.3 | Confident | 81.3 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | E1190 W1191 V1486 | E1190-V1194 WeakPolarHBondContact O-CG2 3.49Å; E1190-V1194 PolarHBondContact O-N 3.21Å; W1191-V1194 HydrophobicContact CE3-CB 4.42Å; W1191-V1194 HydrophobicContact CE3-CG1 4.37Å; W1191-V1194 HydrophobicContact CZ3-CG1 4.21Å; W1191-V1194 PolarHBondContact O-N 3.46Å; W1191-V1194 VanDerWaalsContact O-N 3.17Å; V1194-V1486 HydrophobicContact CG2-CG2 4.49Å |
| 1195 | V | 78.7 | Confident | 81 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76 | -43.4 | 180 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | W1191 Y1193 I1472 L1478 | W1191-V1195 HydrophobicContact CD2-CG2 4.37Å; W1191-V1195 HydrophobicContact CG-CG2 4.36Å; W1191-V1195 HydrophobicContact CZ2-CG2 4.33Å; W1191-V1195 WeakPolarHBondContact O-CB 3.18Å; W1191-V1195 WeakPolarHBondContact O-CG2 3.26Å; W1191-V1195 PolarHBondContact O-N 2.92Å; Y1193-V1195 VanDerWaalsContact C-N 3.26Å; Y1193-V1195 PolarHBondContact O-N 3.38Å; V1195-I1472 HydrophobicContact CG2-CD1 3.96Å; V1195-L1478 WeakPolarHBondContact O-CD2 3.32Å |
| 1196 | S | 76.1 | Confident | 80.4 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -100 | -29.1 | -173.8 | 80.1 | 0 | 0 | 0 | 0 | 114.8 | R1192 Y1193 T1198 N1201 | R1192-S1196 WeakPolarHBondContact O-CB 3.4Å; R1192-S1196 PolarHBondContact O-N 3.1Å; R1192-S1196 PolarHBondContact O-OG 3.44Å; R1192-S1196 VanDerWaalsContact O-OG 3.12Å; Y1193-S1196 PolarHBondContact O-N 2.94Å; S1196-T1198 PolarHBondContact O-N 2.91Å; S1196-T1198 PolarHBondContact OG-N 3.5Å; S1196-T1198 PolarHBondContact OG-OG1 2.72Å; S1196-T1198 VanDerWaalsContact OG-OG1 3.08Å; S1196-N1201 WeakPolarHBondContact CB-ND2 3.23Å; S1196-N1201 PolarHBondContact OG-ND2 3.25Å |
| 1197 | K | 70.9 | Confident | 79.9 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | trans | 46.9 | 38.9 | -170.1 | -62.9 | -166.1 | 165.4 | -154.1 | 0 | 114.8 | Y1193 K1481 E1482 | Y1193-K1197 WeakPolarHBondContact O-CA 3.13Å; Y1193-K1197 VanDerWaalsContact O-CG 3.29Å; Y1193-K1197 WeakPolarHBondContact O-CG 3.19Å; Y1193-K1197 PolarHBondContact O-N 2.81Å; K1197-K1481 VanDerWaalsContact CD-O 3.28Å; K1197-K1481 WeakPolarHBondContact CD-O 3.45Å; K1197-E1482 VanDerWaalsContact CD-O 3.24Å; K1197-E1482 WeakPolarHBondContact CD-O 3.17Å; K1197-E1482 WeakPolarHBondContact CE-O 3.4Å; K1197-E1482 VanDerWaalsContact NZ-C 3.26Å; K1197-E1482 PolarHBondContact NZ-O 2.95Å | ||
| 1198 | T | 72.9 | Confident | 79.4 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | trans | -91.4 | 147.2 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 112 | S1196 L1200 N1201 E1202 | S1196-T1198 PolarHBondContact O-N 2.91Å; S1196-T1198 PolarHBondContact OG-N 3.5Å; S1196-T1198 PolarHBondContact OG-OG1 2.72Å; S1196-T1198 VanDerWaalsContact OG-OG1 3.08Å; T1198-L1200 PolarHBondContact O-N 3.48Å; T1198-N1201 PolarHBondContact O-N 3.16Å; T1198-N1201 WeakPolarHBondContact OG1-CB 3.28Å; T1198-N1201 PolarHBondContact OG1-N 3.4Å; T1198-E1202 PolarHBondContact O-N 2.84Å | ||
| 1199 | D | 69.7 | Low | 78.9 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.6 | -34.2 | 174.8 | -65.3 | -8.8 | 0 | 0 | 0 | 112.3 | E1202 K1203 | D1199-E1202 PolarHBondContact O-N 2.77Å; D1199-K1203 PolarHBondContact O-N 3.42Å |
| 1200 | L | 71.5 | Confident | 78.3 | Confident | 115 Ų | 115 | 61.4 Ų | 61.4 | 60% | 0.602 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.5 | -47.2 | 174.2 | 178.6 | 63.2 | 0 | 0 | 0 | 111.7 | T1198 E1202 K1203 L1204 | T1198-L1200 PolarHBondContact O-N 3.48Å; L1200-E1202 VanDerWaalsContact C-N 3.32Å; L1200-K1203 PolarHBondContact O-N 3.24Å; L1200-L1204 HydrophobicContact CG-CD1 4.25Å; L1200-L1204 WeakPolarHBondContact O-CG 3.13Å; L1200-L1204 PolarHBondContact O-N 3.29Å |
| 1201 | N | 79 | Confident | 77.9 | Confident | 29 Ų | 29 | 62 Ų | 62 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.7 | -29.9 | 179.6 | -75.7 | -0.5 | 0 | 0 | 0 | 111.7 | R1192 Y1193 S1196 T1198 L1204 M1205 | R1192-N1201 PolarHBondContact O-ND2 3.41Å; R1192-N1201 VanDerWaalsContact O-ND2 3.1Å; Y1193-N1201 HydrophobicContact CD2-CB 4.46Å; S1196-N1201 WeakPolarHBondContact CB-ND2 3.23Å; S1196-N1201 PolarHBondContact OG-ND2 3.25Å; T1198-N1201 PolarHBondContact O-N 3.16Å; T1198-N1201 WeakPolarHBondContact OG1-CB 3.28Å; T1198-N1201 PolarHBondContact OG1-N 3.4Å; N1201-L1204 PolarHBondContact O-N 2.84Å; N1201-M1205 VanDerWaalsContact O-CB 3.28Å; N1201-M1205 WeakPolarHBondContact O-CB 3.43Å; N1201-M1205 PolarHBondContact O-N 3.36Å |
| 1202 | E | 76.4 | Confident | 77.6 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 169.3 | -168.3 | 173.4 | -118 | 0 | 0 | 110.5 | Y1193 T1198 D1199 L1200 M1205 M1206 R1263 | Y1193-E1202 HydrophobicContact CD2-CB 3.72Å; Y1193-E1202 HydrophobicContact CD2-CG 4.38Å; Y1193-E1202 HydrophobicContact CE2-CB 3.5Å; Y1193-E1202 VanDerWaalsContact CE2-CB 3.5Å; Y1193-E1202 HydrophobicContact CE2-CG 3.87Å; Y1193-E1202 PolarHBondContact OH-OE1 3.36Å; T1198-E1202 PolarHBondContact O-N 2.84Å; D1199-E1202 PolarHBondContact O-N 2.77Å; L1200-E1202 VanDerWaalsContact C-N 3.32Å; E1202-M1205 HydrophobicContact CG-CE 4.5Å; E1202-M1205 WeakPolarHBondContact O-CB 3.37Å; E1202-M1205 PolarHBondContact O-N 2.9Å; E1202-M1206 VanDerWaalsContact O-CG 3.26Å; E1202-M1206 WeakPolarHBondContact O-CG 3.3Å; E1202-M1206 PolarHBondContact O-N 3.2Å; E1202-R1263 IonicContact OE2-NE 2.87Å |
| 1203 | K | 75.9 | Confident | 77.5 | Confident | 134 Ų | 134 | 56.8 Ų | 56.8 | 58% | 0.583 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.4 | -47.5 | 176.8 | -174.1 | 178.7 | 176.8 | -178 | 0 | 111.9 | D1199 L1200 M1205 M1206 D1207 | D1199-K1203 PolarHBondContact O-N 3.42Å; L1200-K1203 PolarHBondContact O-N 3.24Å; K1203-M1205 VanDerWaalsContact C-N 3.31Å; K1203-M1205 PolarHBondContact O-N 2.98Å; K1203-M1206 PolarHBondContact O-N 3.31Å; K1203-M1206 VanDerWaalsContact O-N 3.15Å; K1203-D1207 VanDerWaalsContact O-CG 3.26Å; K1203-D1207 PolarHBondContact O-N 3.28Å |
| 1204 | L | 73.7 | Confident | 77.3 | Confident | 77 Ų | 77 | 57.8 Ų | 57.8 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 178 | -69.9 | 173 | 0 | 0 | 0 | 112.7 | L1200 N1201 A1208 | L1200-L1204 HydrophobicContact CG-CD1 4.25Å; L1200-L1204 WeakPolarHBondContact O-CG 3.13Å; L1200-L1204 PolarHBondContact O-N 3.29Å; N1201-L1204 PolarHBondContact O-N 2.84Å; L1204-A1208 WeakPolarHBondContact O-CB 3.5Å; L1204-A1208 PolarHBondContact O-N 2.96Å |
| 1205 | M | 83.3 | Confident | 77.6 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 172.6 | 176.6 | -165 | 75.4 | 0 | 0 | 111 | A1189 E1190 Y1193 N1201 E1202 K1203 A1208 V1209 | A1189-M1205 HydrophobicContact CB-CB 4.34Å; E1190-M1205 HydrophobicContact CB-CG 3.99Å; E1190-M1205 HydrophobicContact CB-SD 4.08Å; E1190-M1205 HydrophobicContact CG-SD 3.97Å; Y1193-M1205 HydrophobicContact CD1-CE 4.31Å; Y1193-M1205 HydrophobicContact CD1-SD 3.82Å; Y1193-M1205 HydrophobicContact CG-SD 4.21Å; N1201-M1205 VanDerWaalsContact O-CB 3.28Å; N1201-M1205 WeakPolarHBondContact O-CB 3.43Å; N1201-M1205 PolarHBondContact O-N 3.36Å; E1202-M1205 HydrophobicContact CG-CE 4.5Å; E1202-M1205 WeakPolarHBondContact O-CB 3.37Å; E1202-M1205 PolarHBondContact O-N 2.9Å; K1203-M1205 VanDerWaalsContact C-N 3.31Å; K1203-M1205 PolarHBondContact O-N 2.98Å; M1205-A1208 PolarHBondContact O-N 3.07Å; M1205-V1209 WeakPolarHBondContact O-CB 3.26Å; M1205-V1209 VanDerWaalsContact O-CG2 3.3Å; M1205-V1209 WeakPolarHBondContact O-CG2 3.42Å; M1205-V1209 PolarHBondContact O-N 3.49Å |
| 1206 | M | 75.9 | Confident | 77.9 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 178.7 | -67.1 | -67.5 | 179.3 | 0 | 0 | 111.8 | E1202 K1203 V1209 A1210 | E1202-M1206 VanDerWaalsContact O-CG 3.26Å; E1202-M1206 WeakPolarHBondContact O-CG 3.3Å; E1202-M1206 PolarHBondContact O-N 3.2Å; K1203-M1206 PolarHBondContact O-N 3.31Å; K1203-M1206 VanDerWaalsContact O-N 3.15Å; M1206-V1209 PolarHBondContact O-N 3.12Å; M1206-A1210 WeakPolarHBondContact O-CB 3.23Å; M1206-A1210 PolarHBondContact O-N 2.84Å |
| 1207 | D | 77.4 | Confident | 78.2 | Confident | 77 Ų | 77 | 55.2 Ų | 55.2 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 176.9 | -66.6 | -18.8 | 0 | 0 | 0 | 110.8 | K1203 V1209 A1210 E1211 | K1203-D1207 VanDerWaalsContact O-CG 3.26Å; K1203-D1207 PolarHBondContact O-N 3.28Å; D1207-V1209 PolarHBondContact O-N 2.92Å; D1207-A1210 WeakPolarHBondContact O-CB 3.4Å; D1207-A1210 PolarHBondContact O-N 2.95Å; D1207-E1211 WeakPolarHBondContact O-CG 3.5Å; D1207-E1211 PolarHBondContact O-N 3.41Å |
| 1208 | A | 80 | Confident | 78.9 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -36.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1185 A1189 L1204 M1205 R1212 | Q1185-A1208 HydrophobicContact CG-CB 4.42Å; A1189-A1208 HydrophobicContact CB-CB 3.85Å; L1204-A1208 WeakPolarHBondContact O-CB 3.5Å; L1204-A1208 PolarHBondContact O-N 2.96Å; M1205-A1208 PolarHBondContact O-N 3.07Å; A1208-R1212 WeakPolarHBondContact O-CB 3.46Å; A1208-R1212 PolarHBondContact O-N 2.92Å |
| 1209 | V | 80.2 | Confident | 79.6 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 24% | 0.242 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 111 | A1186 M1205 M1206 D1207 R1212 I1213 | A1186-V1209 HydrophobicContact CB-CG2 4.33Å; M1205-V1209 WeakPolarHBondContact O-CB 3.26Å; M1205-V1209 VanDerWaalsContact O-CG2 3.3Å; M1205-V1209 WeakPolarHBondContact O-CG2 3.42Å; M1205-V1209 PolarHBondContact O-N 3.49Å; M1206-V1209 PolarHBondContact O-N 3.12Å; D1207-V1209 PolarHBondContact O-N 2.92Å; V1209-R1212 WeakPolarHBondContact O-CB 3.21Å; V1209-R1212 PolarHBondContact O-N 3.39Å; V1209-I1213 HydrophobicContact CG1-CD1 3.84Å; V1209-I1213 HydrophobicContact CG1-CG1 4.46Å; V1209-I1213 VanDerWaalsContact O-CG1 3.31Å; V1209-I1213 WeakPolarHBondContact O-CG1 3.23Å; V1209-I1213 PolarHBondContact O-N 2.86Å |
| 1210 | A | 74.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1206 D1207 R1212 I1213 A1214 | M1206-A1210 WeakPolarHBondContact O-CB 3.23Å; M1206-A1210 PolarHBondContact O-N 2.84Å; D1207-A1210 WeakPolarHBondContact O-CB 3.4Å; D1207-A1210 PolarHBondContact O-N 2.95Å; A1210-R1212 PolarHBondContact O-N 3.48Å; A1210-I1213 PolarHBondContact O-N 3.36Å; A1210-A1214 WeakPolarHBondContact O-CB 3.19Å; A1210-A1214 PolarHBondContact O-N 2.72Å |
| 1211 | E | 79.4 | Confident | 80.8 | Confident | 89 Ų | 89 | 48.6 Ų | 48.6 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 173.1 | -74 | 179.7 | 177 | 0 | 0 | 111.8 | Q1185 D1207 I1213 A1214 L1215 | Q1185-E1211 PolarHBondContact NE2-OE2 3.45Å; D1207-E1211 WeakPolarHBondContact O-CG 3.5Å; D1207-E1211 PolarHBondContact O-N 3.41Å; E1211-I1213 PolarHBondContact O-N 3.43Å; E1211-A1214 PolarHBondContact O-N 2.88Å; E1211-L1215 WeakPolarHBondContact O-CB 3.42Å; E1211-L1215 PolarHBondContact O-N 3.37Å |
| 1212 | R | 86.1 | Confident | 81 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 175.6 | -176.9 | -173.7 | 67.5 | 75.5 | 6.6 | 111.3 | A1182 Y1183 A1186 A1208 V1209 A1210 L1215 E1216 | A1182-R1212 HydrophobicContact CB-CB 4.37Å; A1182-R1212 HydrophobicContact CB-CG 4.28Å; Y1183-R1212 HydrophobicContact CD2-CG 4Å; Y1183-R1212 HydrophobicContact CE2-CG 4.08Å; Y1183-R1212 PolarHBondContact OH-NH1 2.73Å; A1186-R1212 HydrophobicContact CB-CB 4.48Å; A1208-R1212 WeakPolarHBondContact O-CB 3.46Å; A1208-R1212 PolarHBondContact O-N 2.92Å; V1209-R1212 WeakPolarHBondContact O-CB 3.21Å; V1209-R1212 PolarHBondContact O-N 3.39Å; A1210-R1212 PolarHBondContact O-N 3.48Å; R1212-L1215 PolarHBondContact O-N 3.49Å; R1212-E1216 IonicContact CZ-OE2 2.82Å; R1212-E1216 IonicContact NH1-OE1 3.54Å; R1212-E1216 PolarHBondContact NH1-OE1 2.84Å; R1212-E1216 VanDerWaalsContact NH1-OE1 3.1Å; R1212-E1216 IonicContact NH1-OE2 2.7Å; R1212-E1216 PolarHBondContact NH1-OE2 3.14Å; R1212-E1216 VanDerWaalsContact O-CG 3.3Å; R1212-E1216 WeakPolarHBondContact O-CG 3.31Å; R1212-E1216 PolarHBondContact O-N 2.8Å |
| 1213 | I | 81.5 | Confident | 81.5 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | -179.3 | -69.9 | 168.6 | 0 | 0 | 0 | 111.3 | V1209 A1210 E1211 L1215 E1216 N1217 L1248 L1250 | V1209-I1213 HydrophobicContact CG1-CD1 3.84Å; V1209-I1213 HydrophobicContact CG1-CG1 4.46Å; V1209-I1213 VanDerWaalsContact O-CG1 3.31Å; V1209-I1213 WeakPolarHBondContact O-CG1 3.23Å; V1209-I1213 PolarHBondContact O-N 2.86Å; A1210-I1213 PolarHBondContact O-N 3.36Å; E1211-I1213 PolarHBondContact O-N 3.43Å; I1213-L1215 VanDerWaalsContact C-N 3.33Å; I1213-L1215 PolarHBondContact O-N 2.8Å; I1213-E1216 PolarHBondContact O-N 2.91Å; I1213-N1217 PolarHBondContact O-N 2.85Å; I1213-N1217 PolarHBondContact O-ND2 2.82Å; I1213-L1248 VanDerWaalsContact CG2-O 3.25Å; I1213-L1248 WeakPolarHBondContact CG2-O 3.27Å; I1213-L1250 HydrophobicContact CD1-CD1 3.71Å |
| 1214 | A | 80.1 | Confident | 81.8 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1210 E1211 N1217 E1218 | A1210-A1214 WeakPolarHBondContact O-CB 3.19Å; A1210-A1214 PolarHBondContact O-N 2.72Å; E1211-A1214 PolarHBondContact O-N 2.88Å; A1214-N1217 PolarHBondContact O-N 3.06Å; A1214-E1218 PolarHBondContact O-N 3.5Å |
| 1215 | L | 85.3 | Confident | 82 | Confident | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 176.3 | -175.8 | 68.3 | 0 | 0 | 0 | 112.4 | K1178 M1179 A1182 E1211 R1212 I1213 N1217 E1218 Q1219 | K1178-L1215 HydrophobicContact CB-CD2 4.16Å; K1178-L1215 HydrophobicContact CD-CD1 4.31Å; K1178-L1215 WeakPolarHBondContact O-CD2 3.25Å; M1179-L1215 HydrophobicContact CE-CB 4.14Å; M1179-L1215 HydrophobicContact CE-CD2 3.57Å; M1179-L1215 HydrophobicContact CE-CG 3.43Å; M1179-L1215 VanDerWaalsContact CE-CG 3.43Å; A1182-L1215 HydrophobicContact CB-CD2 3.52Å; E1211-L1215 WeakPolarHBondContact O-CB 3.42Å; E1211-L1215 PolarHBondContact O-N 3.37Å; R1212-L1215 PolarHBondContact O-N 3.49Å; I1213-L1215 VanDerWaalsContact C-N 3.33Å; I1213-L1215 PolarHBondContact O-N 2.8Å; L1215-N1217 VanDerWaalsContact C-N 3.29Å; L1215-N1217 PolarHBondContact O-N 3.2Å; L1215-E1218 PolarHBondContact O-N 3.39Å; L1215-Q1219 HydrophobicContact CD1-CG 4.42Å; L1215-Q1219 HydrophobicContact CG-CG 4.44Å; L1215-Q1219 WeakPolarHBondContact O-CB 3.19Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.39Å; L1215-Q1219 PolarHBondContact O-N 3.45Å |
| 1216 | E | 85.7 | Confident | 81.7 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 174.8 | -75 | -175.2 | 136.4 | 0 | 0 | 112.1 | M1179 Y1183 R1212 I1213 A1220 K1531 | M1179-E1216 HydrophobicContact CE-CG 4.08Å; M1179-E1216 HydrophobicContact SD-CG 3.8Å; Y1183-E1216 HydrophobicContact CE2-CG 4.44Å; Y1183-E1216 VanDerWaalsContact CE2-OE1 3.23Å; Y1183-E1216 WeakPolarHBondContact CE2-OE1 3.44Å; Y1183-E1216 PolarHBondContact OH-OE1 3.49Å; R1212-E1216 IonicContact CZ-OE2 2.82Å; R1212-E1216 IonicContact NH1-OE1 3.54Å; R1212-E1216 PolarHBondContact NH1-OE1 2.84Å; R1212-E1216 VanDerWaalsContact NH1-OE1 3.1Å; R1212-E1216 IonicContact NH1-OE2 2.7Å; R1212-E1216 PolarHBondContact NH1-OE2 3.14Å; R1212-E1216 VanDerWaalsContact O-CG 3.3Å; R1212-E1216 WeakPolarHBondContact O-CG 3.31Å; R1212-E1216 PolarHBondContact O-N 2.8Å; I1213-E1216 PolarHBondContact O-N 2.91Å; E1216-A1220 VanDerWaalsContact O-CB 3.27Å; E1216-A1220 WeakPolarHBondContact O-CB 3.32Å; E1216-A1220 PolarHBondContact O-N 3.19Å; E1216-K1531 VanDerWaalsContact CD-NZ 3.3Å; E1216-K1531 IonicContact OE1-NZ 3.88Å; E1216-K1531 PolarHBondContact OE1-NZ 3.2Å |
| 1217 | N | 83.1 | Confident | 81.2 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -45 | 177.2 | -71.4 | -27.4 | 0 | 0 | 0 | 111.4 | I1213 A1214 L1215 Q1219 A1220 E1221 G1247 | I1213-N1217 PolarHBondContact O-N 2.85Å; I1213-N1217 PolarHBondContact O-ND2 2.82Å; A1214-N1217 PolarHBondContact O-N 3.06Å; L1215-N1217 VanDerWaalsContact C-N 3.29Å; L1215-N1217 PolarHBondContact O-N 3.2Å; N1217-Q1219 VanDerWaalsContact C-N 3.35Å; N1217-Q1219 PolarHBondContact O-N 2.87Å; N1217-A1220 WeakPolarHBondContact O-CB 3.19Å; N1217-A1220 PolarHBondContact O-N 3Å; N1217-A1220 VanDerWaalsContact O-N 3.16Å; N1217-E1221 WeakPolarHBondContact O-CG 3.39Å; N1217-E1221 PolarHBondContact O-N 2.75Å; N1217-G1247 PolarHBondContact OD1-N 2.87Å; N1217-G1247 PolarHBondContact OD1-O 2.81Å |
| 1218 | E | 84 | Confident | 80.6 | Confident | 99 Ų | 99 | 46.6 Ų | 46.6 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55 | -49.1 | 173.6 | -176.2 | -158.9 | 133.1 | 0 | 0 | 111.4 | K1178 A1214 L1215 A1220 E1221 A1222 | K1178-E1218 IonicContact NZ-OE1 3.87Å; A1214-E1218 PolarHBondContact O-N 3.5Å; L1215-E1218 PolarHBondContact O-N 3.39Å; E1218-A1220 VanDerWaalsContact C-N 3.32Å; E1218-A1220 PolarHBondContact O-N 3.05Å; E1218-E1221 PolarHBondContact O-N 3.43Å; E1218-A1222 PolarHBondContact O-N 3.4Å |
| 1219 | Q | 88 | Confident | 79.6 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68 | -32.3 | 179 | -64.9 | -48.7 | -66.2 | 0 | 0 | 112.3 | F1171 N1175 M1179 L1215 N1217 A1222 A1223 I1243 | F1171-Q1219 WeakPolarHBondContact CZ-O 3.13Å; N1175-Q1219 VanDerWaalsContact OD1-CB 3.25Å; N1175-Q1219 WeakPolarHBondContact OD1-CB 3.32Å; N1175-Q1219 WeakPolarHBondContact OD1-CG 3.29Å; M1179-Q1219 HydrophobicContact CE-CB 4.31Å; M1179-Q1219 HydrophobicContact CE-CG 3.74Å; L1215-Q1219 HydrophobicContact CD1-CG 4.42Å; L1215-Q1219 HydrophobicContact CG-CG 4.44Å; L1215-Q1219 WeakPolarHBondContact O-CB 3.19Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.39Å; L1215-Q1219 PolarHBondContact O-N 3.45Å; N1217-Q1219 VanDerWaalsContact C-N 3.35Å; N1217-Q1219 PolarHBondContact O-N 2.87Å; Q1219-A1222 PolarHBondContact O-N 3.03Å; Q1219-A1223 VanDerWaalsContact O-CB 3.31Å; Q1219-A1223 WeakPolarHBondContact O-CB 3.43Å; Q1219-A1223 PolarHBondContact O-N 2.68Å; Q1219-I1243 HydrophobicContact CB-CG2 4.15Å |
| 1220 | A | 85.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1216 N1217 E1218 A1223 N1224 I1243 R1246 | E1216-A1220 VanDerWaalsContact O-CB 3.27Å; E1216-A1220 WeakPolarHBondContact O-CB 3.32Å; E1216-A1220 PolarHBondContact O-N 3.19Å; N1217-A1220 WeakPolarHBondContact O-CB 3.19Å; N1217-A1220 PolarHBondContact O-N 3Å; N1217-A1220 VanDerWaalsContact O-N 3.16Å; E1218-A1220 VanDerWaalsContact C-N 3.32Å; E1218-A1220 PolarHBondContact O-N 3.05Å; A1220-A1223 PolarHBondContact O-N 2.9Å; A1220-N1224 WeakPolarHBondContact O-CB 3.47Å; A1220-N1224 PolarHBondContact O-N 3.3Å; A1220-N1224 PolarHBondContact O-ND2 3.03Å; A1220-I1243 WeakPolarHBondContact CA-O 3.26Å; A1220-I1243 WeakPolarHBondContact CB-O 3.29Å; A1220-R1246 HydrophobicContact CB-CB 4.35Å; A1220-R1246 HydrophobicContact CB-CG 3.7Å |
| 1221 | E | 81.6 | Confident | 78.2 | Confident | 108 Ų | 108 | 55 Ų | 55 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 173.2 | -64.9 | -163.6 | 151.2 | 0 | 0 | 111.8 | N1217 E1218 A1223 N1224 A1225 R1246 | N1217-E1221 WeakPolarHBondContact O-CG 3.39Å; N1217-E1221 PolarHBondContact O-N 2.75Å; E1218-E1221 PolarHBondContact O-N 3.43Å; E1221-A1223 VanDerWaalsContact C-N 3.31Å; E1221-A1223 PolarHBondContact O-N 3.38Å; E1221-N1224 PolarHBondContact O-N 3.49Å; E1221-A1225 PolarHBondContact O-N 3.36Å; E1221-A1225 VanDerWaalsContact O-N 3.1Å; E1221-R1246 VanDerWaalsContact CG-NH2 3.31Å; E1221-R1246 IonicContact OE1-CZ 3.57Å; E1221-R1246 IonicContact OE1-NH1 2.85Å; E1221-R1246 IonicContact OE1-NH2 2.77Å; E1221-R1246 PolarHBondContact OE1-NH2 3.3Å |
| 1222 | A | 84.1 | Confident | 77.7 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1171 E1218 Q1219 A1225 | F1171-A1222 HydrophobicContact CD2-CB 4.17Å; F1171-A1222 HydrophobicContact CE2-CB 3.52Å; F1171-A1222 HydrophobicContact CZ-CB 4.3Å; E1218-A1222 PolarHBondContact O-N 3.4Å; Q1219-A1222 PolarHBondContact O-N 3.03Å; A1222-A1225 PolarHBondContact O-N 3.23Å |
| 1223 | A | 86.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | F1171 Q1219 A1220 E1221 A1225 L1226 L1240 I1243 A1244 | F1171-A1223 HydrophobicContact CE1-CB 3.71Å; F1171-A1223 HydrophobicContact CZ-CB 3.61Å; Q1219-A1223 VanDerWaalsContact O-CB 3.31Å; Q1219-A1223 WeakPolarHBondContact O-CB 3.43Å; Q1219-A1223 PolarHBondContact O-N 2.68Å; A1220-A1223 PolarHBondContact O-N 2.9Å; E1221-A1223 VanDerWaalsContact C-N 3.31Å; E1221-A1223 PolarHBondContact O-N 3.38Å; A1223-A1225 PolarHBondContact O-N 3.22Å; A1223-L1226 WeakPolarHBondContact O-CB 3.44Å; A1223-L1226 PolarHBondContact O-N 3.39Å; A1223-L1226 VanDerWaalsContact O-N 3.11Å; A1223-L1240 HydrophobicContact CB-CD1 3.65Å; A1223-I1243 HydrophobicContact CB-CB 4.13Å; A1223-I1243 HydrophobicContact CB-CG2 3.74Å; A1223-A1244 HydrophobicContact CB-CB 3.86Å |
| 1224 | N | 81 | Confident | 76.9 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.6 | -25.2 | 177.2 | -79.8 | -55.4 | 0 | 0 | 0 | 112.8 | A1220 E1221 L1226 A1244 | A1220-N1224 WeakPolarHBondContact O-CB 3.47Å; A1220-N1224 PolarHBondContact O-N 3.3Å; A1220-N1224 PolarHBondContact O-ND2 3.03Å; E1221-N1224 PolarHBondContact O-N 3.49Å; N1224-L1226 PolarHBondContact O-N 2.89Å; N1224-A1244 PolarHBondContact ND2-O 3.48Å |
| 1225 | A | 78.2 | Confident | 77.1 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1221 A1222 A1223 | E1221-A1225 PolarHBondContact O-N 3.36Å; E1221-A1225 VanDerWaalsContact O-N 3.1Å; A1222-A1225 PolarHBondContact O-N 3.23Å; A1223-A1225 PolarHBondContact O-N 3.22Å |
| 1226 | L | 78.1 | Confident | 77 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -86.3 | 139 | 179 | -64.2 | 172.7 | 0 | 0 | 0 | 111.8 | R1167 L1168 F1171 A1223 N1224 V1228 L1240 | R1167-L1226 HydrophobicContact CG-CD2 4.02Å; L1168-L1226 HydrophobicContact CD1-CD1 4.08Å; F1171-L1226 HydrophobicContact CB-CD1 3.82Å; F1171-L1226 HydrophobicContact CD1-CD1 3.42Å; F1171-L1226 VanDerWaalsContact CD1-CD1 3.42Å; F1171-L1226 HydrophobicContact CD2-CD1 4.38Å; F1171-L1226 HydrophobicContact CE1-CD1 4.12Å; F1171-L1226 HydrophobicContact CG-CD1 3.58Å; A1223-L1226 WeakPolarHBondContact O-CB 3.44Å; A1223-L1226 PolarHBondContact O-N 3.39Å; A1223-L1226 VanDerWaalsContact O-N 3.11Å; N1224-L1226 PolarHBondContact O-N 2.89Å; L1226-V1228 PolarHBondContact O-N 3.48Å; L1226-L1240 HydrophobicContact CB-CD2 4.21Å; L1226-L1240 HydrophobicContact CD1-CD1 3.91Å |
| 1227 | K | 66 | Low | 76.9 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 53% | 0.53 | 37% | 0.367 | S | S | . | . | trans | -76.6 | 95.7 | -180 | -70.2 | 177 | -177.2 | 167.8 | 0 | 111.8 | T1229 Q1230 | K1227-T1229 PolarHBondContact O-N 2.97Å; K1227-T1229 VanDerWaalsContact O-N 3.11Å; K1227-Q1230 PolarHBondContact O-N 2.93Å | ||
| 1228 | V | 63.1 | Low | 77.2 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 30% | 0.297 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -55.8 | -29.1 | 179.7 | -174.4 | 0 | 0 | 0 | 0 | 113.5 | L1226 Q1230 I1231 R1237 L1240 | L1226-V1228 PolarHBondContact O-N 3.48Å; V1228-Q1230 PolarHBondContact O-N 3.33Å; V1228-I1231 PolarHBondContact O-N 3.49Å; V1228-R1237 HydrophobicContact CG1-CG 3.91Å; V1228-L1240 HydrophobicContact CG2-CD2 3.95Å |
| 1229 | T | 60.8 | Low | 77.5 | Confident | 136 Ų | 136 | 64.8 Ų | 64.8 | 83% | 0.834 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -67.7 | -16.9 | -175 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | K1227 | K1227-T1229 PolarHBondContact O-N 2.97Å; K1227-T1229 VanDerWaalsContact O-N 3.11Å |
| 1230 | Q | 61.4 | Low | 77.5 | Confident | 115 Ų | 115 | 64.5 Ų | 64.5 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -93.3 | -0.6 | -177.8 | -65.2 | -178.3 | -17.4 | 0 | 0 | 113.5 | K1227 V1228 | K1227-Q1230 PolarHBondContact O-N 2.93Å; V1228-Q1230 PolarHBondContact O-N 3.33Å |
| 1231 | I | 64.2 | Low | 77.4 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.087 | 38% | 0.375 | C | S | . | . | trans | -93 | 108.2 | -174.4 | -48.9 | -179.2 | 0 | 0 | 0 | 110.5 | L1168 V1228 K1236 R1237 L1240 | L1168-I1231 HydrophobicContact CD1-CD1 3.63Å; L1168-I1231 HydrophobicContact CD2-CB 4.37Å; L1168-I1231 HydrophobicContact CD2-CD1 3.49Å; L1168-I1231 VanDerWaalsContact CD2-CD1 3.49Å; L1168-I1231 HydrophobicContact CD2-CG1 3.55Å; L1168-I1231 HydrophobicContact CD2-CG2 4.03Å; L1168-I1231 HydrophobicContact CG-CD1 4.21Å; V1228-I1231 PolarHBondContact O-N 3.49Å; I1231-K1236 HydrophobicContact CG2-CB 3.86Å; I1231-R1237 HydrophobicContact CB-CB 4.45Å; I1231-R1237 HydrophobicContact CG2-CB 4.2Å; I1231-L1240 HydrophobicContact CD1-CB 4.47Å; I1231-L1240 HydrophobicContact CD1-CD2 3.36Å | ||
| 1232 | C | 68.6 | Low | 77.7 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 87% | 0.872 | 36% | 0.358 | S | S | * | . | trans | -75.3 | -31.2 | 177.7 | -66.1 | 0 | 0 | 0 | 0 | 113.2 | P1234 | C1232-P1234 WeakPolarHBondContact O-CD 3.02Š| ||
| 1233 | D | 75 | Confident | 77.9 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | trans | -74.3 | 115.6 | -179 | 179.9 | -21.3 | 0 | 0 | 0 | 111 | K1235 K1236 R1237 | D1233-K1235 VanDerWaalsContact C-N 3.3Å; D1233-K1235 PolarHBondContact O-N 2.58Å; D1233-K1235 WeakPolarHBondContact OD1-CA 3.34Å; D1233-K1235 WeakPolarHBondContact OD1-CB 3.28Å; D1233-K1235 PolarHBondContact OD1-N 2.97Å; D1233-K1236 HydrophobicContact CB-CB 3.99Å; D1233-K1236 HydrophobicContact CB-CD 4.02Å; D1233-K1236 HydrophobicContact CB-CG 4.03Å; D1233-K1236 PolarHBondContact O-N 3.12Å; D1233-K1236 PolarHBondContact OD1-N 3.37Å; D1233-K1236 WeakPolarHBondContact OD2-CG 3.24Å; D1233-R1237 WeakPolarHBondContact O-CB 3.45Å; D1233-R1237 PolarHBondContact O-N 3.22Å | ||
| 1234 | P | 75.6 | Confident | 77.7 | Confident | 84 Ų | 84 | 66 Ų | 66 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -31.6 | -178.2 | 26.3 | -33.6 | 0 | 0 | 0 | 113.2 | C1232 R1238 | C1232-P1234 WeakPolarHBondContact O-CD 3.02Å; P1234-R1238 WeakPolarHBondContact O-CB 3.26Å; P1234-R1238 PolarHBondContact O-N 3.11Å |
| 1235 | K | 83.8 | Confident | 77.5 | Confident | 89 Ų | 89 | 65.1 Ų | 65.1 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.2 | -46.7 | 177.4 | -175 | 178 | -178.4 | 176.5 | 0 | 110.3 | D1233 R1237 R1238 L1239 F1532 | D1233-K1235 VanDerWaalsContact C-N 3.3Å; D1233-K1235 PolarHBondContact O-N 2.58Å; D1233-K1235 WeakPolarHBondContact OD1-CA 3.34Å; D1233-K1235 WeakPolarHBondContact OD1-CB 3.28Å; D1233-K1235 PolarHBondContact OD1-N 2.97Å; K1235-R1237 VanDerWaalsContact C-N 3.32Å; K1235-R1237 PolarHBondContact O-N 3.17Å; K1235-R1238 PolarHBondContact O-N 3.26Å; K1235-L1239 WeakPolarHBondContact O-CB 3.48Å; K1235-L1239 PolarHBondContact O-N 2.89Å; K1235-F1532 HydrophobicContact CG-CE2 3.91Å; K1235-F1532 HydrophobicContact CG-CZ 4.43Å |
| 1236 | K | 84.2 | Confident | 77.1 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 174.2 | -71 | -177.8 | -171.2 | -177 | 0 | 111.6 | N1169 L1172 I1231 D1233 R1238 L1239 L1240 | N1169-K1236 PolarHBondContact OD1-NZ 3.01Å; L1172-K1236 HydrophobicContact CD1-CB 4.02Å; L1172-K1236 HydrophobicContact CD1-CD 4.16Å; L1172-K1236 HydrophobicContact CD1-CG 3.9Å; I1231-K1236 HydrophobicContact CG2-CB 3.86Å; D1233-K1236 HydrophobicContact CB-CB 3.99Å; D1233-K1236 HydrophobicContact CB-CD 4.02Å; D1233-K1236 HydrophobicContact CB-CG 4.03Å; D1233-K1236 PolarHBondContact O-N 3.12Å; D1233-K1236 PolarHBondContact OD1-N 3.37Å; D1233-K1236 WeakPolarHBondContact OD2-CG 3.24Å; K1236-R1238 PolarHBondContact O-N 2.93Å; K1236-L1239 PolarHBondContact O-N 3.32Å; K1236-L1240 WeakPolarHBondContact O-CB 3.17Å; K1236-L1240 PolarHBondContact O-N 3.41Å |
| 1237 | R | 83.4 | Confident | 76.6 | Confident | 112 Ų | 112 | 67 Ų | 67 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.5 | -173.1 | 178.2 | 64.3 | -172.2 | -1.3 | 111.9 | V1228 I1231 D1233 K1235 K1241 | V1228-R1237 HydrophobicContact CG1-CG 3.91Å; I1231-R1237 HydrophobicContact CB-CB 4.45Å; I1231-R1237 HydrophobicContact CG2-CB 4.2Å; D1233-R1237 WeakPolarHBondContact O-CB 3.45Å; D1233-R1237 PolarHBondContact O-N 3.22Å; K1235-R1237 VanDerWaalsContact C-N 3.32Å; K1235-R1237 PolarHBondContact O-N 3.17Å; R1237-K1241 WeakPolarHBondContact O-CB 3.43Å; R1237-K1241 WeakPolarHBondContact O-CG 3.28Å; R1237-K1241 PolarHBondContact O-N 3.39Å |
| 1238 | R | 88.4 | Confident | 76.9 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 175.4 | -173.3 | 177.3 | 171.7 | 78.9 | 1.4 | 111.7 | P1234 K1235 K1236 K1241 R1242 E1358 F1532 S1713 S1714 I1715 | P1234-R1238 WeakPolarHBondContact O-CB 3.26Å; P1234-R1238 PolarHBondContact O-N 3.11Å; K1235-R1238 PolarHBondContact O-N 3.26Å; K1236-R1238 PolarHBondContact O-N 2.93Å; R1238-K1241 PolarHBondContact O-N 3.32Å; R1238-R1242 PolarHBondContact O-N 3.03Å; R1238-E1358 IonicContact CZ-OE1 3.73Å; R1238-E1358 IonicContact CZ-OE2 2.78Å; R1238-E1358 IonicContact NH1-OE1 2.64Å; R1238-E1358 PolarHBondContact NH1-OE1 3.12Å; R1238-E1358 IonicContact NH1-OE2 3.78Å; R1238-E1358 PolarHBondContact NH1-OE2 3.49Å; R1238-E1358 VanDerWaalsContact NH2-CD 3.32Å; R1238-E1358 IonicContact NH2-OE1 2.72Å; R1238-E1358 PolarHBondContact NH2-OE1 3.23Å; R1238-E1358 IonicContact NH2-OE2 3.07Å; R1238-E1358 PolarHBondContact NH2-OE2 3.33Å; R1238-F1532 HydrophobicContact CB-CZ 4.32Å; R1238-F1532 HydrophobicContact CG-CE1 4.12Å; R1238-F1532 HydrophobicContact CG-CZ 4.33Å; R1238-S1713 PolarHBondContact NE-O 3.02Å; R1238-S1713 PolarHBondContact NH2-O 3.5Å; R1238-S1714 VanDerWaalsContact CD-O 3.26Å; R1238-S1714 WeakPolarHBondContact CD-O 3.11Å; R1238-I1715 PolarHBondContact NH2-O 3.31Å; R1238-I1715 VanDerWaalsContact NH2-O 3.16Å |
| 1239 | L | 89.6 | Confident | 77.2 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -49.4 | 176.4 | -178.1 | 57.7 | 0 | 0 | 0 | 110.4 | L1172 K1235 K1236 K1241 R1242 I1243 P1529 K1531 F1532 | L1172-L1239 HydrophobicContact CD1-CD2 4.5Å; L1172-L1239 HydrophobicContact CD2-CD2 3.92Å; L1172-L1239 HydrophobicContact CD2-CG 4.01Å; K1235-L1239 WeakPolarHBondContact O-CB 3.48Å; K1235-L1239 PolarHBondContact O-N 2.89Å; K1236-L1239 PolarHBondContact O-N 3.32Å; L1239-K1241 PolarHBondContact O-N 3.1Å; L1239-R1242 PolarHBondContact O-N 3.3Å; L1239-R1242 VanDerWaalsContact O-N 3.15Å; L1239-I1243 HydrophobicContact CD1-CD1 4.11Å; L1239-I1243 HydrophobicContact CD1-CG1 4.38Å; L1239-I1243 HydrophobicContact CG-CD1 3.86Å; L1239-I1243 VanDerWaalsContact O-CG1 3.3Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.48Å; L1239-I1243 PolarHBondContact O-N 3.37Å; L1239-P1529 HydrophobicContact CD1-CB 3.86Å; L1239-P1529 HydrophobicContact CD1-CG 4.4Å; L1239-P1529 HydrophobicContact CD2-CB 4.17Å; L1239-P1529 HydrophobicContact CD2-CG 4Å; L1239-K1531 HydrophobicContact CD1-CB 3.98Å; L1239-F1532 VanDerWaalsContact CA-CZ 3.48Å; L1239-F1532 HydrophobicContact CB-CE1 4.3Å; L1239-F1532 HydrophobicContact CB-CE2 3.83Å; L1239-F1532 HydrophobicContact CB-CZ 3.52Å; L1239-F1532 HydrophobicContact CD1-CD1 4.49Å; L1239-F1532 HydrophobicContact CD1-CD2 4.23Å; L1239-F1532 HydrophobicContact CD1-CE1 4.26Å; L1239-F1532 HydrophobicContact CD1-CE2 3.98Å; L1239-F1532 HydrophobicContact CD1-CG 4.48Å; L1239-F1532 HydrophobicContact CD1-CZ 4.02Å; L1239-F1532 HydrophobicContact CG-CE2 4.33Å; L1239-F1532 HydrophobicContact CG-CZ 4.33Å |
| 1240 | L | 87.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 177.5 | -174.1 | 67.1 | 0 | 0 | 0 | 111.7 | L1168 F1171 L1172 A1223 L1226 V1228 I1231 K1236 R1242 I1243 A1244 | L1168-L1240 HydrophobicContact CD1-CD1 4.34Å; L1168-L1240 HydrophobicContact CD1-CD2 3.98Å; F1171-L1240 HydrophobicContact CD1-CD1 3.98Å; F1171-L1240 HydrophobicContact CE1-CD1 3.67Å; L1172-L1240 HydrophobicContact CD2-CD1 4.48Å; A1223-L1240 HydrophobicContact CB-CD1 3.65Å; L1226-L1240 HydrophobicContact CB-CD2 4.21Å; L1226-L1240 HydrophobicContact CD1-CD1 3.91Å; V1228-L1240 HydrophobicContact CG2-CD2 3.95Å; I1231-L1240 HydrophobicContact CD1-CB 4.47Å; I1231-L1240 HydrophobicContact CD1-CD2 3.36Å; K1236-L1240 WeakPolarHBondContact O-CB 3.17Å; K1236-L1240 PolarHBondContact O-N 3.41Å; L1240-R1242 VanDerWaalsContact C-N 3.29Å; L1240-R1242 PolarHBondContact O-N 2.98Å; L1240-I1243 PolarHBondContact O-N 3.36Å; L1240-A1244 WeakPolarHBondContact O-CB 3.37Å; L1240-A1244 PolarHBondContact O-N 3.4Å |
| 1241 | K | 85 | Confident | 77.5 | Confident | 128 Ų | 128 | 56 Ų | 56 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.7 | -37.8 | 175 | -78.8 | -177.2 | 176.3 | -167.6 | 0 | 112.7 | R1237 R1238 L1239 K1245 | R1237-K1241 WeakPolarHBondContact O-CB 3.43Å; R1237-K1241 WeakPolarHBondContact O-CG 3.28Å; R1237-K1241 PolarHBondContact O-N 3.39Å; R1238-K1241 PolarHBondContact O-N 3.32Å; L1239-K1241 PolarHBondContact O-N 3.1Å; K1241-K1245 PolarHBondContact O-N 3.04Å |
| 1242 | R | 87 | Confident | 77.6 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.6 | -33.5 | 177.8 | -80.7 | 174 | 153.4 | -100.2 | -5.4 | 112.9 | R1238 L1239 L1240 E1358 K1531 E1534 S1713 | R1238-R1242 PolarHBondContact O-N 3.03Å; L1239-R1242 PolarHBondContact O-N 3.3Å; L1239-R1242 VanDerWaalsContact O-N 3.15Å; L1240-R1242 VanDerWaalsContact C-N 3.29Å; L1240-R1242 PolarHBondContact O-N 2.98Å; R1242-E1358 IonicContact CZ-OE1 3.15Å; R1242-E1358 IonicContact NE-OE1 3.9Å; R1242-E1358 PolarHBondContact NE-OE1 3.02Å; R1242-E1358 IonicContact NH2-OE1 3.61Å; R1242-E1358 PolarHBondContact NH2-OE1 3.4Å; R1242-K1531 PolarHBondContact NH1-O 2.7Å; R1242-E1534 IonicContact CZ-OE1 3.06Å; R1242-E1534 IonicContact NH1-OE1 3.49Å; R1242-E1534 PolarHBondContact NH1-OE1 3.35Å; R1242-E1534 IonicContact NH2-OE1 2.97Å; R1242-S1713 PolarHBondContact NH1-OG 3.49Å |
| 1243 | I | 88.8 | Confident | 78 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 170.8 | -61.3 | 159.6 | 0 | 0 | 0 | 110.2 | F1171 L1172 N1175 Q1219 A1220 A1223 L1239 L1240 K1245 K1531 | F1171-I1243 HydrophobicContact CE1-CD1 4.12Å; F1171-I1243 HydrophobicContact CE1-CG2 4.04Å; F1171-I1243 HydrophobicContact CZ-CG2 3.75Å; L1172-I1243 HydrophobicContact CD2-CD1 3.67Å; N1175-I1243 HydrophobicContact CB-CD1 4.43Å; N1175-I1243 WeakPolarHBondContact ND2-CD1 3.43Å; N1175-I1243 WeakPolarHBondContact OD1-CG2 3.04Å; Q1219-I1243 HydrophobicContact CB-CG2 4.15Å; A1220-I1243 WeakPolarHBondContact CA-O 3.26Å; A1220-I1243 WeakPolarHBondContact CB-O 3.29Å; A1223-I1243 HydrophobicContact CB-CB 4.13Å; A1223-I1243 HydrophobicContact CB-CG2 3.74Å; L1239-I1243 HydrophobicContact CD1-CD1 4.11Å; L1239-I1243 HydrophobicContact CD1-CG1 4.38Å; L1239-I1243 HydrophobicContact CG-CD1 3.86Å; L1239-I1243 VanDerWaalsContact O-CG1 3.3Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.48Å; L1239-I1243 PolarHBondContact O-N 3.37Å; L1240-I1243 PolarHBondContact O-N 3.36Å; I1243-K1245 PolarHBondContact O-N 3Å; I1243-K1531 HydrophobicContact CG1-CG 3.98Å |
| 1244 | A | 82.5 | Confident | 78.2 | Confident | 14 Ų | 14 | 57 Ų | 57 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -19.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1223 N1224 L1240 R1246 | A1223-A1244 HydrophobicContact CB-CB 3.86Å; N1224-A1244 PolarHBondContact ND2-O 3.48Å; L1240-A1244 WeakPolarHBondContact O-CB 3.37Å; L1240-A1244 PolarHBondContact O-N 3.4Å; A1244-R1246 PolarHBondContact O-N 3.28Å; A1244-R1246 VanDerWaalsContact O-N 3.07Å |
| 1245 | K | 76.3 | Confident | 78.4 | Confident | 74 Ų | 74 | 53 Ų | 53 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -70.1 | 102.9 | 173.3 | -167.7 | 177.3 | -177.9 | -175.1 | 0 | 108.8 | K1241 I1243 Y1346 S1355 | K1241-K1245 PolarHBondContact O-N 3.04Å; I1243-K1245 PolarHBondContact O-N 3Å; K1245-Y1346 WeakPolarHBondContact CE-OH 3.34Å; K1245-S1355 WeakPolarHBondContact CE-OG 3.38Å; K1245-S1355 PolarHBondContact NZ-O 3.01Å; K1245-S1355 PolarHBondContact NZ-OG 3.4Å |
| 1246 | R | 68.4 | Low | 78.2 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 40% | 0.404 | 27% | 0.27 | S | S | . | . | trans | -58 | 138.6 | 174.7 | -71.2 | -179.4 | 179.4 | -168.2 | -5.2 | 110.2 | A1220 E1221 A1244 | A1220-R1246 HydrophobicContact CB-CB 4.35Å; A1220-R1246 HydrophobicContact CB-CG 3.7Å; E1221-R1246 VanDerWaalsContact CG-NH2 3.31Å; E1221-R1246 IonicContact OE1-CZ 3.57Å; E1221-R1246 IonicContact OE1-NH1 2.85Å; E1221-R1246 IonicContact OE1-NH2 2.77Å; E1221-R1246 PolarHBondContact OE1-NH2 3.3Å; A1244-R1246 PolarHBondContact O-N 3.28Å; A1244-R1246 VanDerWaalsContact O-N 3.07Å | ||
| 1247 | G | 69.4 | Low | 78.3 | Confident | 16 Ų | 16 | 54 Ų | 54 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | trans | -73.8 | -179.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1217 | N1217-G1247 PolarHBondContact OD1-N 2.87Å; N1217-G1247 PolarHBondContact OD1-O 2.81Å | ||
| 1248 | L | 71.7 | Confident | 78.4 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | trans | -76.2 | 125 | 169.8 | -69.4 | 175.7 | 0 | 0 | 0 | 109.4 | I1213 L1250 F1337 V1340 A1341 W1352 | I1213-L1248 VanDerWaalsContact CG2-O 3.25Å; I1213-L1248 WeakPolarHBondContact CG2-O 3.27Å; L1248-L1250 PolarHBondContact O-N 3.2Å; L1248-F1337 HydrophobicContact CD1-CD2 3.86Å; L1248-F1337 HydrophobicContact CD1-CE2 3.26Å; L1248-F1337 HydrophobicContact CD1-CZ 4.25Å; L1248-V1340 HydrophobicContact CB-CG1 3.67Å; L1248-V1340 HydrophobicContact CD2-CG1 3.94Å; L1248-V1340 HydrophobicContact CG-CG1 4.32Å; L1248-A1341 HydrophobicContact CD2-CB 4.06Å; L1248-W1352 HydrophobicContact CD1-CD2 3.6Å; L1248-W1352 HydrophobicContact CD1-CE3 3.45Å; L1248-W1352 VanDerWaalsContact CD1-CE3 3.45Å; L1248-W1352 HydrophobicContact CD1-CG 4.31Å; L1248-W1352 HydrophobicContact CD1-CH2 3.81Å; L1248-W1352 HydrophobicContact CD1-CZ2 3.92Å; L1248-W1352 HydrophobicContact CD1-CZ3 3.56Å; L1248-W1352 HydrophobicContact CD2-CD2 4.29Å; L1248-W1352 HydrophobicContact CD2-CG 4.2Å; L1248-W1352 HydrophobicContact CG-CD2 3.83Å; L1248-W1352 HydrophobicContact CG-CE3 4.21Å; L1248-W1352 HydrophobicContact CG-CG 4.24Å; L1248-W1352 HydrophobicContact CG-CH2 4.35Å; L1248-W1352 HydrophobicContact CG-CZ2 3.96Å; L1248-W1352 HydrophobicContact CG-CZ3 4.45Å | ||
| 1249 | S | 68.2 | Low | 78.1 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | trans | -79.3 | 102.6 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | V1340 | S1249-V1340 VanDerWaalsContact O-CG1 3.27Å; S1249-V1340 WeakPolarHBondContact O-CG1 3.05Å | ||
| 1250 | L | 67.6 | Low | 77.9 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | trans | -88.6 | 4.3 | -179.4 | -63.4 | 177.6 | 0 | 0 | 0 | 114.3 | I1213 L1248 T1252 G1255 F1258 | I1213-L1250 HydrophobicContact CD1-CD1 3.71Å; L1248-L1250 PolarHBondContact O-N 3.2Å; L1250-T1252 PolarHBondContact O-N 2.98Å; L1250-G1255 CarbonylContact O-C 3.59Å; L1250-G1255 VanDerWaalsContact O-CA 3.25Å; L1250-G1255 WeakPolarHBondContact O-CA 3.06Å; L1250-F1258 HydrophobicContact CD2-CB 4.41Å; L1250-F1258 HydrophobicContact CD2-CD1 3.81Å; L1250-F1258 HydrophobicContact CD2-CE1 4.35Å; L1250-F1258 HydrophobicContact CD2-CG 4.2Å | ||
| 1251 | S | 62.2 | Low | 78.1 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 73% | 0.727 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -86.7 | 16.9 | -176 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1252 | T | 65.7 | Low | 78.2 | Confident | 45 Ų | 45 | 48 Ų | 48 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -108.5 | 168.4 | -179.6 | 58.2 | 0 | 0 | 0 | 0 | 110 | L1250 D1254 G1255 E1256 R1343 | L1250-T1252 PolarHBondContact O-N 2.98Å; T1252-D1254 PolarHBondContact O-N 2.94Å; T1252-D1254 VanDerWaalsContact O-N 3.13Å; T1252-G1255 WeakPolarHBondContact O-CA 3.19Å; T1252-G1255 PolarHBondContact O-N 2.95Å; T1252-E1256 PolarHBondContact O-N 3Å; T1252-R1343 PolarHBondContact OG1-NH1 3.24Å |
| 1253 | E | 77.8 | Confident | 78.1 | Confident | 164 Ų | 164 | 51.7 Ų | 51.7 | 77% | 0.766 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -50.1 | -37.2 | 172 | -172.9 | -178.5 | 177.5 | 0 | 0 | 111.9 | E1256 L1257 | E1253-E1256 PolarHBondContact O-N 3.5Å; E1253-L1257 VanDerWaalsContact O-CB 3.31Å; E1253-L1257 WeakPolarHBondContact O-CB 3.08Å; E1253-L1257 PolarHBondContact O-N 2.62Å |
| 1254 | D | 78.4 | Confident | 78.1 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.8 | -34.2 | 174.2 | -68.7 | -47.9 | 0 | 0 | 0 | 112.6 | T1252 L1257 F1258 A1336 S1339 V1340 R1343 | T1252-D1254 PolarHBondContact O-N 2.94Å; T1252-D1254 VanDerWaalsContact O-N 3.13Å; D1254-L1257 PolarHBondContact O-N 3.02Å; D1254-F1258 WeakPolarHBondContact O-CB 3.25Å; D1254-F1258 PolarHBondContact O-N 3.18Å; D1254-A1336 HydrophobicContact CB-CB 4.41Å; D1254-A1336 WeakPolarHBondContact O-CB 3.07Å; D1254-S1339 WeakPolarHBondContact OD2-CB 3.36Å; D1254-S1339 PolarHBondContact OD2-OG 3.16Å; D1254-V1340 HydrophobicContact CB-CG2 3.98Å; D1254-R1343 IonicContact OD2-CZ 3.47Å; D1254-R1343 IonicContact OD2-NH1 2.58Å; D1254-R1343 PolarHBondContact OD2-NH1 3.22Å; D1254-R1343 IonicContact OD2-NH2 3.56Å; D1254-R1343 PolarHBondContact OD2-NH2 2.75Å |
| 1255 | G | 80 | Confident | 78.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1250 T1252 L1257 F1258 I1259 | L1250-G1255 CarbonylContact O-C 3.59Å; L1250-G1255 VanDerWaalsContact O-CA 3.25Å; L1250-G1255 WeakPolarHBondContact O-CA 3.06Å; T1252-G1255 WeakPolarHBondContact O-CA 3.19Å; T1252-G1255 PolarHBondContact O-N 2.95Å; G1255-L1257 VanDerWaalsContact C-N 3.31Å; G1255-F1258 WeakPolarHBondContact O-CB 3.21Å; G1255-F1258 PolarHBondContact O-N 3.15Å; G1255-I1259 WeakPolarHBondContact O-CG1 3.45Å; G1255-I1259 PolarHBondContact O-N 2.94Å |
| 1256 | E | 79.9 | Confident | 79.1 | Confident | 140 Ų | 140 | 52 Ų | 52 | 65% | 0.654 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 169.5 | -66.7 | -175 | 166.5 | 0 | 0 | 111.3 | T1252 E1253 I1259 S1260 | T1252-E1256 PolarHBondContact O-N 3Å; E1253-E1256 PolarHBondContact O-N 3.5Å; E1256-I1259 PolarHBondContact O-N 3.43Å; E1256-S1260 VanDerWaalsContact O-CB 3.3Å; E1256-S1260 WeakPolarHBondContact O-CB 3.49Å; E1256-S1260 PolarHBondContact O-N 2.63Å; E1256-S1260 PolarHBondContact O-OG 3.07Å |
| 1257 | L | 85.3 | Confident | 79.9 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 173.3 | -173.5 | 61.9 | 0 | 0 | 0 | 111.6 | E1253 D1254 G1255 S1260 A1261 E1332 A1336 | E1253-L1257 VanDerWaalsContact O-CB 3.31Å; E1253-L1257 WeakPolarHBondContact O-CB 3.08Å; E1253-L1257 PolarHBondContact O-N 2.62Å; D1254-L1257 PolarHBondContact O-N 3.02Å; G1255-L1257 VanDerWaalsContact C-N 3.31Å; L1257-S1260 WeakPolarHBondContact CA-OG 3.43Å; L1257-S1260 PolarHBondContact O-OG 2.84Å; L1257-S1260 VanDerWaalsContact O-OG 3.06Å; L1257-A1261 WeakPolarHBondContact O-CB 3.37Å; L1257-A1261 PolarHBondContact O-N 3.01Å; L1257-E1332 HydrophobicContact CD1-CB 4.04Å; L1257-E1332 HydrophobicContact CD1-CG 4.31Å; L1257-E1332 HydrophobicContact CD2-CB 4.41Å; L1257-E1332 HydrophobicContact CG-CB 4.2Å; L1257-A1336 HydrophobicContact CB-CB 4.24Å; L1257-A1336 HydrophobicContact CD2-CB 4.25Å; L1257-A1336 HydrophobicContact CG-CB 4.24Å |
| 1258 | F | 86.6 | Confident | 80.7 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 175.2 | 175 | -91.8 | 0 | 0 | 0 | 111.7 | L1250 D1254 G1255 L1262 L1333 A1336 F1337 | L1250-F1258 HydrophobicContact CD2-CB 4.41Å; L1250-F1258 HydrophobicContact CD2-CD1 3.81Å; L1250-F1258 HydrophobicContact CD2-CE1 4.35Å; L1250-F1258 HydrophobicContact CD2-CG 4.2Å; D1254-F1258 WeakPolarHBondContact O-CB 3.25Å; D1254-F1258 PolarHBondContact O-N 3.18Å; G1255-F1258 WeakPolarHBondContact O-CB 3.21Å; G1255-F1258 PolarHBondContact O-N 3.15Å; F1258-L1262 HydrophobicContact CE1-CD2 4.32Å; F1258-L1262 WeakPolarHBondContact O-CB 3.26Å; F1258-L1262 PolarHBondContact O-N 3.12Å; F1258-L1333 HydrophobicContact CD2-CG 4.03Å; F1258-L1333 HydrophobicContact CE2-CD1 4.33Å; F1258-L1333 HydrophobicContact CE2-CD2 4.32Å; F1258-L1333 HydrophobicContact CE2-CG 4.07Å; F1258-A1336 HydrophobicContact CB-CB 4.01Å; F1258-F1337 HydrophobicContact CD2-CB 3.92Å; F1258-F1337 HydrophobicContact CD2-CD2 4.01Å; F1258-F1337 HydrophobicContact CD2-CG 4.07Å; F1258-F1337 HydrophobicContact CE2-CB 4.05Å; F1258-F1337 HydrophobicContact CE2-CD1 4.14Å; F1258-F1337 AromaticContact CE2-CD2 3.59Å; F1258-F1337 HydrophobicContact CE2-CD2 3.59Å; F1258-F1337 HydrophobicContact CE2-CE1 4.48Å; F1258-F1337 AromaticContact CE2-CE2 3.92Å; F1258-F1337 HydrophobicContact CE2-CE2 3.92Å; F1258-F1337 AromaticContact CE2-CG 3.71Å; F1258-F1337 HydrophobicContact CE2-CG 3.71Å; F1258-F1337 HydrophobicContact CE2-CZ 4.39Å; F1258-F1337 HydrophobicContact CZ-CD2 4.36Å; F1258-F1337 HydrophobicContact CZ-CE2 4.29Å |
| 1259 | I | 82.8 | Confident | 81.5 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.8 | -47.7 | -178.9 | -67.4 | 167.6 | 0 | 0 | 0 | 110.6 | G1255 E1256 L1262 R1263 | G1255-I1259 WeakPolarHBondContact O-CG1 3.45Å; G1255-I1259 PolarHBondContact O-N 2.94Å; E1256-I1259 PolarHBondContact O-N 3.43Å; I1259-L1262 PolarHBondContact O-N 3.5Å; I1259-R1263 WeakPolarHBondContact O-CB 3.38Å; I1259-R1263 PolarHBondContact O-N 3.13Å |
| 1260 | S | 85.4 | Confident | 82.1 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 179.7 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | E1256 L1257 R1263 N1264 | E1256-S1260 VanDerWaalsContact O-CB 3.3Å; E1256-S1260 WeakPolarHBondContact O-CB 3.49Å; E1256-S1260 PolarHBondContact O-N 2.63Å; E1256-S1260 PolarHBondContact O-OG 3.07Å; L1257-S1260 WeakPolarHBondContact CA-OG 3.43Å; L1257-S1260 PolarHBondContact O-OG 2.84Å; L1257-S1260 VanDerWaalsContact O-OG 3.06Å; S1260-R1263 PolarHBondContact O-N 2.99Å; S1260-N1264 WeakPolarHBondContact O-CB 3.5Å; S1260-N1264 PolarHBondContact O-N 3.22Å; S1260-N1264 PolarHBondContact O-ND2 3.33Å |
| 1261 | A | 90.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L1257 R1263 N1264 M1265 S1329 E1332 L1333 | L1257-A1261 WeakPolarHBondContact O-CB 3.37Å; L1257-A1261 PolarHBondContact O-N 3.01Å; A1261-R1263 VanDerWaalsContact C-N 3.31Å; A1261-R1263 PolarHBondContact O-N 3.16Å; A1261-N1264 PolarHBondContact O-N 3.42Å; A1261-M1265 WeakPolarHBondContact O-CG 3.44Å; A1261-M1265 PolarHBondContact O-N 3Å; A1261-S1329 WeakPolarHBondContact CB-O 3.42Å; A1261-E1332 HydrophobicContact CB-CB 4.16Å; A1261-L1333 HydrophobicContact CB-CB 3.84Å |
| 1262 | L | 88.5 | Confident | 84 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 177.2 | -178.3 | 60.7 | 0 | 0 | 0 | 111.8 | F1258 I1259 M1265 T1266 L1333 V1658 N1660 | F1258-L1262 HydrophobicContact CE1-CD2 4.32Å; F1258-L1262 WeakPolarHBondContact O-CB 3.26Å; F1258-L1262 PolarHBondContact O-N 3.12Å; I1259-L1262 PolarHBondContact O-N 3.5Å; L1262-M1265 PolarHBondContact O-N 3.14Å; L1262-T1266 WeakPolarHBondContact O-CB 3.28Å; L1262-T1266 PolarHBondContact O-N 2.87Å; L1262-T1266 PolarHBondContact O-OG1 3.48Å; L1262-L1333 HydrophobicContact CB-CD1 3.88Å; L1262-L1333 HydrophobicContact CD1-CD1 4.04Å; L1262-V1658 VanDerWaalsContact CD1-O 3.31Å; L1262-V1658 WeakPolarHBondContact CD1-O 3.15Å; L1262-N1660 HydrophobicContact CD1-CB 3.89Å |
| 1263 | R | 84.8 | Confident | 85.1 | Confident | 115 Ų | 115 | 47.2 Ų | 47.2 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.3 | -171.9 | -178.8 | -177.3 | -139.4 | -1.4 | 111.5 | E1202 I1259 S1260 A1261 M1265 T1266 L1267 | E1202-R1263 IonicContact OE2-NE 2.87Å; I1259-R1263 WeakPolarHBondContact O-CB 3.38Å; I1259-R1263 PolarHBondContact O-N 3.13Å; S1260-R1263 PolarHBondContact O-N 2.99Å; A1261-R1263 VanDerWaalsContact C-N 3.31Å; A1261-R1263 PolarHBondContact O-N 3.16Å; R1263-M1265 VanDerWaalsContact C-N 3.34Å; R1263-M1265 PolarHBondContact O-N 2.86Å; R1263-T1266 PolarHBondContact O-N 3.36Å; R1263-L1267 HydrophobicContact CG-CD1 3.97Å; R1263-L1267 HydrophobicContact CG-CG 4.34Å; R1263-L1267 WeakPolarHBondContact O-CB 3.43Å; R1263-L1267 VanDerWaalsContact O-CG 3.31Å; R1263-L1267 WeakPolarHBondContact O-CG 3.31Å; R1263-L1267 PolarHBondContact O-N 3.27Å |
| 1264 | N | 89 | Confident | 85.7 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.9 | -42 | 177.7 | -74.1 | -16.8 | 0 | 0 | 0 | 111.6 | S1260 A1261 A1268 S1329 | S1260-N1264 WeakPolarHBondContact O-CB 3.5Å; S1260-N1264 PolarHBondContact O-N 3.22Å; S1260-N1264 PolarHBondContact O-ND2 3.33Å; A1261-N1264 PolarHBondContact O-N 3.42Å; N1264-A1268 WeakPolarHBondContact O-CB 3.49Å; N1264-A1268 PolarHBondContact O-N 3.11Å; N1264-S1329 WeakPolarHBondContact CB-OG 3.32Å |
| 1265 | M | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.8 | -66.3 | 171.1 | 46.7 | 0 | 0 | 111.4 | A1261 L1262 R1263 A1268 Y1269 V1326 F1330 L1333 V1658 | A1261-M1265 WeakPolarHBondContact O-CG 3.44Å; A1261-M1265 PolarHBondContact O-N 3Å; L1262-M1265 PolarHBondContact O-N 3.14Å; R1263-M1265 VanDerWaalsContact C-N 3.34Å; R1263-M1265 PolarHBondContact O-N 2.86Å; M1265-A1268 PolarHBondContact O-N 3.42Å; M1265-Y1269 WeakPolarHBondContact O-CB 3.31Å; M1265-Y1269 PolarHBondContact O-N 3.38Å; M1265-V1326 HydrophobicContact CB-CG1 4.19Å; M1265-V1326 HydrophobicContact CE-CG1 3.89Å; M1265-V1326 HydrophobicContact CG-CG1 3.84Å; M1265-V1326 HydrophobicContact SD-CG1 4.38Å; M1265-F1330 HydrophobicContact CE-CB 4.32Å; M1265-F1330 HydrophobicContact CE-CD2 3.79Å; M1265-F1330 VanDerWaalsContact SD-CA 3.57Å; M1265-F1330 HydrophobicContact SD-CB 4.01Å; M1265-F1330 HydrophobicContact SD-CD2 4.3Å; M1265-L1333 HydrophobicContact CE-CD1 4.4Å; M1265-L1333 HydrophobicContact SD-CB 4.17Å; M1265-L1333 HydrophobicContact SD-CD1 3.81Å; M1265-V1658 HydrophobicContact CB-CG1 4.22Å; M1265-V1658 WeakPolarHBondContact O-CG1 3.35Å |
| 1266 | T | 86.7 | Confident | 86.5 | Confident | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 179.3 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | L1262 R1263 Y1269 K1270 | L1262-T1266 WeakPolarHBondContact O-CB 3.28Å; L1262-T1266 PolarHBondContact O-N 2.87Å; L1262-T1266 PolarHBondContact O-OG1 3.48Å; R1263-T1266 PolarHBondContact O-N 3.36Å; T1266-Y1269 PolarHBondContact O-N 2.96Å; T1266-K1270 HydrophobicContact CG2-CD 4.03Å; T1266-K1270 HydrophobicContact CG2-CG 4.49Å; T1266-K1270 WeakPolarHBondContact O-CB 3.21Å; T1266-K1270 VanDerWaalsContact O-CG 3.27Å; T1266-K1270 WeakPolarHBondContact O-CG 3.41Å; T1266-K1270 PolarHBondContact O-N 3.41Å |
| 1267 | L | 84.7 | Confident | 86.6 | Confident | 73 Ų | 73 | 36.4 Ų | 36.4 | 38% | 0.382 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.6 | -73.6 | 173.7 | 0 | 0 | 0 | 111.8 | R1263 Y1269 K1270 A1271 | R1263-L1267 HydrophobicContact CG-CD1 3.97Å; R1263-L1267 HydrophobicContact CG-CG 4.34Å; R1263-L1267 WeakPolarHBondContact O-CB 3.43Å; R1263-L1267 VanDerWaalsContact O-CG 3.31Å; R1263-L1267 WeakPolarHBondContact O-CG 3.31Å; R1263-L1267 PolarHBondContact O-N 3.27Å; L1267-Y1269 VanDerWaalsContact C-N 3.29Å; L1267-Y1269 PolarHBondContact O-N 3.16Å; L1267-K1270 PolarHBondContact O-N 2.83Å; L1267-A1271 VanDerWaalsContact O-CB 3.22Å; L1267-A1271 WeakPolarHBondContact O-CB 3.26Å; L1267-A1271 PolarHBondContact O-N 3.41Å |
| 1268 | A | 86.7 | Confident | 86.4 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1264 M1265 T1272 R1325 V1326 | N1264-A1268 WeakPolarHBondContact O-CB 3.49Å; N1264-A1268 PolarHBondContact O-N 3.11Å; M1265-A1268 PolarHBondContact O-N 3.42Å; A1268-T1272 VanDerWaalsContact O-CB 3.27Å; A1268-T1272 WeakPolarHBondContact O-CB 3.3Å; A1268-T1272 PolarHBondContact O-N 3.01Å; A1268-T1272 PolarHBondContact O-OG1 3.25Å; A1268-R1325 HydrophobicContact CB-CB 4.01Å; A1268-V1326 HydrophobicContact CB-CG2 4.08Å |
| 1269 | Y | 87.7 | Confident | 86.2 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 176 | -171.3 | -90.1 | 0 | 0 | 0 | 112.6 | M1265 T1266 L1267 L1294 W1318 V1322 S1653 Y1655 V1658 H1659 | M1265-Y1269 WeakPolarHBondContact O-CB 3.31Å; M1265-Y1269 PolarHBondContact O-N 3.38Å; T1266-Y1269 PolarHBondContact O-N 2.96Å; L1267-Y1269 VanDerWaalsContact C-N 3.29Å; L1267-Y1269 PolarHBondContact O-N 3.16Å; Y1269-L1294 HydrophobicContact CE1-CD2 4.04Å; Y1269-L1294 WeakPolarHBondContact OH-CD2 3.45Å; Y1269-W1318 HydrophobicContact CD2-CZ2 4.04Å; Y1269-W1318 HydrophobicContact CE1-CZ2 4.29Å; Y1269-W1318 AromaticContact CE2-CZ2 3.66Å; Y1269-W1318 HydrophobicContact CE2-CZ2 3.66Å; Y1269-W1318 AromaticContact CZ-CZ2 3.8Å; Y1269-V1322 HydrophobicContact CD2-CG1 3.76Å; Y1269-S1653 WeakPolarHBondContact CE2-O 3.36Å; Y1269-Y1655 AromaticContact CE1-CD2 3.89Å; Y1269-Y1655 HydrophobicContact CE1-CD2 3.89Å; Y1269-V1658 HydrophobicContact CD2-CB 4.12Å; Y1269-V1658 HydrophobicContact CD2-CG1 4.07Å; Y1269-V1658 HydrophobicContact CD2-CG2 3.72Å; Y1269-V1658 HydrophobicContact CE2-CG2 4.3Å; Y1269-V1658 HydrophobicContact CG-CB 4.46Å; Y1269-V1658 HydrophobicContact CG-CG1 3.93Å; Y1269-V1658 HydrophobicContact CG-CG2 4.41Å; Y1269-H1659 AromaticContact CD1-CE1 3.96Å |
| 1270 | K | 80.9 | Confident | 85.7 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 27% | 0.274 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -39.7 | -178.3 | -72.3 | 179.2 | 179.6 | -178.5 | 0 | 113.6 | Y1193 T1266 L1267 T1272 E1482 | Y1193-K1270 PolarHBondContact OH-NZ 2.99Å; T1266-K1270 HydrophobicContact CG2-CD 4.03Å; T1266-K1270 HydrophobicContact CG2-CG 4.49Å; T1266-K1270 WeakPolarHBondContact O-CB 3.21Å; T1266-K1270 VanDerWaalsContact O-CG 3.27Å; T1266-K1270 WeakPolarHBondContact O-CG 3.41Å; T1266-K1270 PolarHBondContact O-N 3.41Å; L1267-K1270 PolarHBondContact O-N 2.83Å; K1270-T1272 VanDerWaalsContact C-N 3.33Å; K1270-E1482 WeakPolarHBondContact CE-OE2 3.32Å; K1270-E1482 IonicContact NZ-OE2 3.9Å |
| 1271 | A | 82.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -81.3 | -14.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1267 | L1267-A1271 VanDerWaalsContact O-CB 3.22Å; L1267-A1271 WeakPolarHBondContact O-CB 3.26Å; L1267-A1271 PolarHBondContact O-N 3.41Å |
| 1272 | T | 88 | Confident | 84.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | trans | -79 | 136.5 | -175.3 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | A1268 K1270 W1318 K1321 V1322 R1325 | A1268-T1272 VanDerWaalsContact O-CB 3.27Å; A1268-T1272 WeakPolarHBondContact O-CB 3.3Å; A1268-T1272 PolarHBondContact O-N 3.01Å; A1268-T1272 PolarHBondContact O-OG1 3.25Å; K1270-T1272 VanDerWaalsContact C-N 3.33Å; T1272-W1318 HydrophobicContact CG2-CZ3 4.23Å; T1272-K1321 HydrophobicContact CG2-CB 3.49Å; T1272-K1321 VanDerWaalsContact CG2-CB 3.49Å; T1272-V1322 HydrophobicContact CG2-CG2 3.55Å; T1272-R1325 PolarHBondContact OG1-NH1 3.41Å | ||
| 1273 | F | 88.8 | Confident | 84.2 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | trans | -129.5 | 156 | 171.1 | 55.1 | -93.9 | 0 | 0 | 0 | 108.7 | C1282 R1291 W1292 Y1293 | F1273-C1282 WeakPolarHBondContact CE2-SG 3.26Å; F1273-R1291 HydrophobicContact CB-CB 4.05Å; F1273-R1291 HydrophobicContact CD1-CB 4.47Å; F1273-R1291 HydrophobicContact CD1-CG 4.41Å; F1273-R1291 HydrophobicContact CD2-CB 3.82Å; F1273-R1291 HydrophobicContact CD2-CG 3.61Å; F1273-R1291 HydrophobicContact CE1-CG 4.49Å; F1273-R1291 HydrophobicContact CE2-CB 4.45Å; F1273-R1291 HydrophobicContact CE2-CG 3.74Å; F1273-R1291 HydrophobicContact CG-CB 3.84Å; F1273-R1291 HydrophobicContact CG-CG 3.99Å; F1273-R1291 HydrophobicContact CZ-CG 4.18Å; F1273-W1292 CarbonylContact C-O 3.15Å; F1273-W1292 WeakPolarHBondContact CA-O 3.31Å; F1273-Y1293 HydrophobicContact CB-CD1 4.26Å; F1273-Y1293 HydrophobicContact CB-CE1 4.13Å | ||
| 1274 | V | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.1 | 167.7 | 174.2 | 0 | 0 | 0 | 0 | 107.2 | W1292 L1298 Y1313 E1317 W1318 | V1274-W1292 PolarHBondContact N-O 3.21Å; V1274-W1292 PolarHBondContact O-N 3.29Å; V1274-L1298 HydrophobicContact CB-CD1 4.32Å; V1274-L1298 HydrophobicContact CB-CD2 4.19Å; V1274-L1298 HydrophobicContact CG2-CD1 3.83Å; V1274-Y1313 HydrophobicContact CG1-CE1 3.92Å; V1274-E1317 HydrophobicContact CB-CB 4.45Å; V1274-E1317 HydrophobicContact CG1-CB 3.62Å; V1274-E1317 HydrophobicContact CG1-CG 4.32Å; V1274-E1317 HydrophobicContact CG2-CB 3.99Å; V1274-W1318 HydrophobicContact CG2-CB 4.1Å; V1274-W1318 HydrophobicContact CG2-CE3 4.25Å |
| 1275 | C | 89.4 | Confident | 82.6 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.054 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 143.4 | 173.4 | -71.6 | 0 | 0 | 0 | 0 | 109.9 | I1277 K1279 C1282 Y1313 | C1275-I1277 PolarHBondContact O-N 2.91Å; C1275-K1279 VanDerWaalsContact CB-O 3.32Å; C1275-K1279 WeakPolarHBondContact CB-O 3.34Å; C1275-C1282 WeakPolarHBondContact CA-SG 3.26Å; C1275-C1282 HydrophobicContact CB-CB 3.82Å; C1275-C1282 WeakPolarHBondContact CB-SG 3.38Å; C1275-C1282 WeakPolarHBondContact SG-CB 3.42Å; C1275-C1282 PolarHBondContact SG-N 2.84Å; C1275-C1282 VanDerWaalsContact SG-N 3.43Å; C1275-C1282 CovalentContact SG-SG 2.03Å; C1275-C1282 PolarHBondContact SG-SG 2.82Å; C1275-Y1313 WeakPolarHBondContact O-CE1 3.47Å; C1275-Y1313 PolarHBondContact O-OH 2.99Å; C1275-Y1313 VanDerWaalsContact O-OH 3.07Å |
| 1276 | A | 86 | Confident | 81.5 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.033 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 140.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | D1278 K1279 D1290 W1292 | A1276-D1278 VanDerWaalsContact CB-OD1 3.23Å; A1276-D1278 WeakPolarHBondContact CB-OD1 3.19Å; A1276-D1278 PolarHBondContact O-N 3.39Å; A1276-D1278 VanDerWaalsContact O-N 3.12Å; A1276-K1279 HydrophobicContact CB-CB 4.33Å; A1276-K1279 CarbonylContact O-C 3.55Å; A1276-K1279 WeakPolarHBondContact O-CA 3.22Å; A1276-K1279 PolarHBondContact O-N 3.07Å; A1276-D1290 PolarHBondContact N-O 3.26Å; A1276-W1292 HydrophobicContact CB-CD2 4.2Å; A1276-W1292 HydrophobicContact CB-CH2 3.96Å; A1276-W1292 HydrophobicContact CB-CZ2 3.39Å |
| 1277 | I | 83 | Confident | 80.9 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.7 | -172.6 | -163.8 | 168.8 | 0 | 0 | 0 | 112.4 | C1275 K1279 W1292 L1310 Y1313 | C1275-I1277 PolarHBondContact O-N 2.91Å; I1277-K1279 VanDerWaalsContact C-N 3.33Å; I1277-W1292 HydrophobicContact CG2-CH2 4.45Å; I1277-L1310 HydrophobicContact CD1-CD1 4.46Å; I1277-L1310 HydrophobicContact CG2-CD1 4.49Å; I1277-Y1313 HydrophobicContact CB-CD1 4.08Å; I1277-Y1313 HydrophobicContact CB-CE1 3.88Å; I1277-Y1313 HydrophobicContact CD1-CD1 4.12Å; I1277-Y1313 HydrophobicContact CD1-CD2 4.26Å; I1277-Y1313 HydrophobicContact CD1-CG 3.91Å; I1277-Y1313 HydrophobicContact CG1-CD1 4.1Å; I1277-Y1313 HydrophobicContact CG1-CD2 4.22Å; I1277-Y1313 HydrophobicContact CG1-CE1 4.13Å; I1277-Y1313 HydrophobicContact CG1-CE2 4.24Å; I1277-Y1313 HydrophobicContact CG1-CG 4.15Å |
| 1278 | D | 79.5 | Confident | 80.5 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.7 | 176.1 | 67.7 | -48.7 | 0 | 0 | 0 | 114 | A1276 | A1276-D1278 VanDerWaalsContact CB-OD1 3.23Å; A1276-D1278 WeakPolarHBondContact CB-OD1 3.19Å; A1276-D1278 PolarHBondContact O-N 3.39Å; A1276-D1278 VanDerWaalsContact O-N 3.12Å |
| 1279 | K | 82.7 | Confident | 80.1 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 43% | 0.426 | 37% | 0.369 | S | S | . | . | trans | -133.8 | 61.8 | -175.7 | -58.6 | -64 | 173.9 | -168.3 | 0 | 113 | C1275 A1276 I1277 G1281 C1282 D1290 | C1275-K1279 VanDerWaalsContact CB-O 3.32Å; C1275-K1279 WeakPolarHBondContact CB-O 3.34Å; A1276-K1279 HydrophobicContact CB-CB 4.33Å; A1276-K1279 CarbonylContact O-C 3.55Å; A1276-K1279 WeakPolarHBondContact O-CA 3.22Å; A1276-K1279 PolarHBondContact O-N 3.07Å; I1277-K1279 VanDerWaalsContact C-N 3.33Å; K1279-G1281 PolarHBondContact O-N 3.08Å; K1279-C1282 HydrophobicContact CB-CB 4.49Å; K1279-C1282 WeakPolarHBondContact O-CB 3.16Å; K1279-C1282 PolarHBondContact O-N 3Å; K1279-C1282 VanDerWaalsContact O-N 3.11Å; K1279-D1290 HydrophobicContact CB-CB 4.37Å; K1279-D1290 HydrophobicContact CG-CB 4.44Å | ||
| 1280 | P | 72.8 | Confident | 79.9 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 68% | 0.682 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.4 | -176.6 | 23.8 | -34 | 0 | 0 | 0 | 114.9 | ||
| 1281 | G | 74.6 | Confident | 80.1 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 19.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1279 N1283 | K1279-G1281 PolarHBondContact O-N 3.08Å; G1281-N1283 PolarHBondContact O-N 3.44Å |
| 1282 | C | 82.6 | Confident | 80.3 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -65.3 | -5.4 | -170.6 | 82.5 | 0 | 0 | 0 | 0 | 116 | F1273 C1275 K1279 E1284 S1285 D1290 R1291 | F1273-C1282 WeakPolarHBondContact CE2-SG 3.26Å; C1275-C1282 WeakPolarHBondContact CA-SG 3.26Å; C1275-C1282 HydrophobicContact CB-CB 3.82Å; C1275-C1282 WeakPolarHBondContact CB-SG 3.38Å; C1275-C1282 WeakPolarHBondContact SG-CB 3.42Å; C1275-C1282 PolarHBondContact SG-N 2.84Å; C1275-C1282 VanDerWaalsContact SG-N 3.43Å; C1275-C1282 CovalentContact SG-SG 2.03Å; C1275-C1282 PolarHBondContact SG-SG 2.82Å; K1279-C1282 HydrophobicContact CB-CB 4.49Å; K1279-C1282 WeakPolarHBondContact O-CB 3.16Å; K1279-C1282 PolarHBondContact O-N 3Å; K1279-C1282 VanDerWaalsContact O-N 3.11Å; C1282-E1284 PolarHBondContact O-N 2.94Å; C1282-E1284 VanDerWaalsContact O-N 3.17Å; C1282-S1285 WeakPolarHBondContact O-CB 3.46Å; C1282-S1285 PolarHBondContact O-N 2.83Å; C1282-D1290 HydrophobicContact CB-CB 3.91Å; C1282-D1290 WeakPolarHBondContact CB-O 3.34Å; C1282-D1290 PolarHBondContact SG-O 2.84Å; C1282-D1290 VanDerWaalsContact SG-O 3.37Å; C1282-R1291 HydrophobicContact CB-CG 4.33Å |
| 1283 | N | 75.9 | Confident | 80.2 | Confident | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -54.6 | -35.4 | -179 | -71.4 | -22.6 | 0 | 0 | 0 | 113.1 | G1281 | G1281-N1283 PolarHBondContact O-N 3.44Š|
| 1284 | E | 73 | Confident | 80.1 | Confident | 192 Ų | 192 | 66.1 Ų | 66.1 | 90% | 0.897 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -96.1 | -3.7 | 179.2 | -63.5 | -179.2 | -176.2 | 0 | 0 | 113.1 | C1282 A1286 | C1282-E1284 PolarHBondContact O-N 2.94Å; C1282-E1284 VanDerWaalsContact O-N 3.17Å; E1284-A1286 PolarHBondContact O-N 3.44Å |
| 1285 | S | 67.3 | Low | 79.5 | Confident | 28 Ų | 28 | 73 Ų | 73 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | trans | -72.6 | 122.4 | -177.4 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | C1282 N1287 D1290 R1291 | C1282-S1285 WeakPolarHBondContact O-CB 3.46Å; C1282-S1285 PolarHBondContact O-N 2.83Å; S1285-N1287 PolarHBondContact O-N 3.12Å; S1285-N1287 WeakPolarHBondContact OG-CB 3.35Å; S1285-N1287 PolarHBondContact OG-N 3.45Å; S1285-N1287 VanDerWaalsContact OG-N 3.13Å; S1285-D1290 WeakPolarHBondContact CB-OD2 3.15Å; S1285-D1290 PolarHBondContact OG-OD2 2.92Å; S1285-R1291 VanDerWaalsContact O-CZ 3.27Å; S1285-R1291 PolarHBondContact O-NH2 3.36Å | ||
| 1286 | A | 69.4 | Low | 78.8 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 79% | 0.793 | 41% | 0.408 | S | S | * | . | trans | -68.4 | -19 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | E1284 R1288 R1291 | E1284-A1286 PolarHBondContact O-N 3.44Å; A1286-R1288 PolarHBondContact O-N 3.33Å; A1286-R1291 PolarHBondContact O-NH2 3.4Å | ||
| 1287 | N | 74 | Confident | 78.7 | Confident | 90 Ų | 90 | 76.5 Ų | 76.5 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | trans | -76 | 121 | -176.8 | -165.4 | 6 | 0 | 0 | 0 | 110.8 | S1285 A1289 D1290 | S1285-N1287 PolarHBondContact O-N 3.12Å; S1285-N1287 WeakPolarHBondContact OG-CB 3.35Å; S1285-N1287 PolarHBondContact OG-N 3.45Å; S1285-N1287 VanDerWaalsContact OG-N 3.13Å; N1287-A1289 PolarHBondContact O-N 2.9Å; N1287-A1289 PolarHBondContact OD1-N 3.33Å; N1287-D1290 PolarHBondContact O-N 3.14Å | ||
| 1288 | R | 76.3 | Confident | 79.1 | Confident | 131 Ų | 131 | 72.5 Ų | 72.5 | 49% | 0.494 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -63.3 | -30.6 | 178.4 | -175.1 | -172.5 | 174.6 | -150 | -3.6 | 111.8 | A1286 D1290 R1291 | A1286-R1288 PolarHBondContact O-N 3.33Å; R1288-D1290 PolarHBondContact O-N 3.25Å; R1288-R1291 PolarHBondContact O-N 3.43Å; R1288-R1291 VanDerWaalsContact O-N 3.12Å; R1288-R1291 VanDerWaalsContact O-O 3.12Å |
| 1289 | A | 77.5 | Confident | 79.2 | Confident | 65 Ų | 65 | 68.2 Ų | 68.2 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -62.2 | -26.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1287 R1291 W1292 | N1287-A1289 PolarHBondContact O-N 2.9Å; N1287-A1289 PolarHBondContact OD1-N 3.33Å; A1289-R1291 VanDerWaalsContact C-N 3.29Å; A1289-R1291 PolarHBondContact O-N 2.84Å; A1289-W1292 PolarHBondContact O-NE1 3.49Å |
| 1290 | D | 83.5 | Confident | 79.3 | Confident | 30 Ų | 30 | 67 Ų | 67 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -82.2 | -9 | -178.9 | -52 | -13.6 | 0 | 0 | 0 | 112.5 | A1276 K1279 C1282 S1285 N1287 R1288 | A1276-D1290 PolarHBondContact N-O 3.26Å; K1279-D1290 HydrophobicContact CB-CB 4.37Å; K1279-D1290 HydrophobicContact CG-CB 4.44Å; C1282-D1290 HydrophobicContact CB-CB 3.91Å; C1282-D1290 WeakPolarHBondContact CB-O 3.34Å; C1282-D1290 PolarHBondContact SG-O 2.84Å; C1282-D1290 VanDerWaalsContact SG-O 3.37Å; S1285-D1290 WeakPolarHBondContact CB-OD2 3.15Å; S1285-D1290 PolarHBondContact OG-OD2 2.92Å; N1287-D1290 PolarHBondContact O-N 3.14Å; R1288-D1290 PolarHBondContact O-N 3.25Å |
| 1291 | R | 84.6 | Confident | 80 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 102.3 | -174.4 | -66 | -176 | -69.5 | -168.3 | -4.4 | 110.5 | F1273 C1282 S1285 A1286 R1288 A1289 Y1293 | F1273-R1291 HydrophobicContact CB-CB 4.05Å; F1273-R1291 HydrophobicContact CD1-CB 4.47Å; F1273-R1291 HydrophobicContact CD1-CG 4.41Å; F1273-R1291 HydrophobicContact CD2-CB 3.82Å; F1273-R1291 HydrophobicContact CD2-CG 3.61Å; F1273-R1291 HydrophobicContact CE1-CG 4.49Å; F1273-R1291 HydrophobicContact CE2-CB 4.45Å; F1273-R1291 HydrophobicContact CE2-CG 3.74Å; F1273-R1291 HydrophobicContact CG-CB 3.84Å; F1273-R1291 HydrophobicContact CG-CG 3.99Å; F1273-R1291 HydrophobicContact CZ-CG 4.18Å; C1282-R1291 HydrophobicContact CB-CG 4.33Å; S1285-R1291 VanDerWaalsContact O-CZ 3.27Å; S1285-R1291 PolarHBondContact O-NH2 3.36Å; A1286-R1291 PolarHBondContact O-NH2 3.4Å; R1288-R1291 PolarHBondContact O-N 3.43Å; R1288-R1291 VanDerWaalsContact O-N 3.12Å; R1288-R1291 VanDerWaalsContact O-O 3.12Å; A1289-R1291 VanDerWaalsContact C-N 3.29Å; A1289-R1291 PolarHBondContact O-N 2.84Å; R1291-Y1293 HydrophobicContact CB-CE2 4.34Å; R1291-Y1293 WeakPolarHBondContact O-CD2 3.5Å |
| 1292 | W | 87.8 | Confident | 80.7 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.9 | -179.6 | -59.4 | -21 | 0 | 0 | 0 | 111.3 | F1273 V1274 A1276 I1277 A1289 D1297 L1298 I1301 L1310 V1314 | F1273-W1292 CarbonylContact C-O 3.15Å; F1273-W1292 WeakPolarHBondContact CA-O 3.31Å; V1274-W1292 PolarHBondContact N-O 3.21Å; V1274-W1292 PolarHBondContact O-N 3.29Å; A1276-W1292 HydrophobicContact CB-CD2 4.2Å; A1276-W1292 HydrophobicContact CB-CH2 3.96Å; A1276-W1292 HydrophobicContact CB-CZ2 3.39Å; I1277-W1292 HydrophobicContact CG2-CH2 4.45Å; A1289-W1292 PolarHBondContact O-NE1 3.49Å; W1292-D1297 HydrophobicContact CB-CB 3.89Å; W1292-D1297 HydrophobicContact CG-CB 4.3Å; W1292-L1298 HydrophobicContact CB-CD2 3.5Å; W1292-L1298 VanDerWaalsContact CB-CD2 3.5Å; W1292-L1298 HydrophobicContact CB-CG 4.32Å; W1292-L1298 HydrophobicContact CE3-CD2 4.12Å; W1292-L1298 HydrophobicContact CG-CD2 4.37Å; W1292-I1301 HydrophobicContact CD2-CD1 3.7Å; W1292-I1301 HydrophobicContact CE3-CD1 3.58Å; W1292-I1301 HydrophobicContact CG-CD1 4.29Å; W1292-I1301 HydrophobicContact CH2-CD1 4.17Å; W1292-I1301 HydrophobicContact CZ2-CD1 4.29Å; W1292-I1301 HydrophobicContact CZ3-CD1 3.83Å; W1292-L1310 HydrophobicContact CH2-CD1 4.35Å; W1292-L1310 HydrophobicContact CZ3-CD1 4.18Å; W1292-V1314 HydrophobicContact CE3-CG2 4.36Å; W1292-V1314 HydrophobicContact CZ3-CG2 4.21Å |
| 1293 | Y | 86.6 | Confident | 80.5 | Confident | 70 Ų | 70 | 62 Ų | 62 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | trans | -91.7 | 156.1 | 174.4 | -65.5 | -91.1 | 0 | 0 | 0 | 110.5 | F1273 R1291 K1295 D1297 L1298 | F1273-Y1293 HydrophobicContact CB-CD1 4.26Å; F1273-Y1293 HydrophobicContact CB-CE1 4.13Å; R1291-Y1293 HydrophobicContact CB-CE2 4.34Å; R1291-Y1293 WeakPolarHBondContact O-CD2 3.5Å; Y1293-K1295 VanDerWaalsContact C-N 3.26Å; Y1293-K1295 PolarHBondContact O-N 3.06Å; Y1293-D1297 PolarHBondContact N-OD2 3.08Å; Y1293-D1297 WeakPolarHBondContact O-CB 3.32Å; Y1293-D1297 PolarHBondContact O-N 3.12Å; Y1293-L1298 PolarHBondContact O-N 3.39Å | ||
| 1294 | L | 85.8 | Confident | 80.7 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -49.4 | -47.4 | 179.6 | 177.5 | 67.2 | 0 | 0 | 0 | 112.7 | Y1269 D1299 W1318 M1409 W1410 | Y1269-L1294 HydrophobicContact CE1-CD2 4.04Å; Y1269-L1294 WeakPolarHBondContact OH-CD2 3.45Å; L1294-D1299 PolarHBondContact O-N 2.89Å; L1294-W1318 HydrophobicContact CB-CE3 4.45Å; L1294-W1318 HydrophobicContact CB-CH2 3.62Å; L1294-W1318 HydrophobicContact CB-CZ2 3.8Å; L1294-W1318 HydrophobicContact CB-CZ3 3.96Å; L1294-W1318 HydrophobicContact CD1-CD2 4.46Å; L1294-W1318 HydrophobicContact CD1-CZ2 4.28Å; L1294-W1318 HydrophobicContact CD2-CH2 4.33Å; L1294-W1318 HydrophobicContact CD2-CZ2 3.76Å; L1294-W1318 HydrophobicContact CG-CH2 4.48Å; L1294-W1318 HydrophobicContact CG-CZ2 4.16Å; L1294-M1409 HydrophobicContact CD1-CB 4.33Å; L1294-M1409 HydrophobicContact CD1-CE 4.11Å; L1294-M1409 HydrophobicContact CD1-CG 4.01Å; L1294-W1410 HydrophobicContact CD1-CH2 4.41Å; L1294-W1410 HydrophobicContact CD1-CZ2 4.18Å; L1294-W1410 HydrophobicContact CD2-CH2 4.21Å; L1294-W1410 HydrophobicContact CD2-CZ2 3.8Å |
| 1295 | K | 77.3 | Confident | 81.3 | Confident | 145 Ų | 145 | 54.2 Ų | 54.2 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | I | π-helix | trans | -122.5 | 130.2 | 175.5 | -62.8 | -162.8 | 177.4 | -168.5 | 0 | 111.2 | Y1293 D1299 | Y1293-K1295 VanDerWaalsContact C-N 3.26Å; Y1293-K1295 PolarHBondContact O-N 3.06Å; K1295-D1299 WeakPolarHBondContact CE-OD2 3.5Å; K1295-D1299 WeakPolarHBondContact CG-OD2 3.3Å |
| 1296 | P | 74 | Confident | 82 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 31% | 0.305 | 31% | 0.308 | S | S | . | . | I | π-helix | cis | -88.8 | -6.5 | -3 | 37.6 | -35.3 | 0 | 0 | 0 | 113.8 | N1300 | P1296-N1300 VanDerWaalsContact O-CB 3.26Å; P1296-N1300 WeakPolarHBondContact O-CB 3.32Å; P1296-N1300 PolarHBondContact O-N 3.27Å; P1296-N1300 PolarHBondContact O-ND2 3.28Å; P1296-N1300 PolarHBondContact O-OD1 2.8Å |
| 1297 | D | 85.5 | Confident | 82.8 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -67.1 | -57.7 | -161.1 | -45.9 | -48.2 | 0 | 0 | 0 | 112.4 | W1292 Y1293 N1300 I1301 | W1292-D1297 HydrophobicContact CB-CB 3.89Å; W1292-D1297 HydrophobicContact CG-CB 4.3Å; Y1293-D1297 PolarHBondContact N-OD2 3.08Å; Y1293-D1297 WeakPolarHBondContact O-CB 3.32Å; Y1293-D1297 PolarHBondContact O-N 3.12Å; D1297-N1300 PolarHBondContact O-N 2.85Å; D1297-I1301 VanDerWaalsContact O-CG1 3.3Å; D1297-I1301 WeakPolarHBondContact O-CG1 3.4Å; D1297-I1301 PolarHBondContact O-N 3.1Å |
| 1298 | L | 89.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -67.6 | -37.8 | 179.8 | -54.8 | -175.3 | 0 | 0 | 0 | 112.1 | V1274 W1292 Y1293 N1300 I1301 L1302 V1314 W1318 M1409 | V1274-L1298 HydrophobicContact CB-CD1 4.32Å; V1274-L1298 HydrophobicContact CB-CD2 4.19Å; V1274-L1298 HydrophobicContact CG2-CD1 3.83Å; W1292-L1298 HydrophobicContact CB-CD2 3.5Å; W1292-L1298 VanDerWaalsContact CB-CD2 3.5Å; W1292-L1298 HydrophobicContact CB-CG 4.32Å; W1292-L1298 HydrophobicContact CE3-CD2 4.12Å; W1292-L1298 HydrophobicContact CG-CD2 4.37Å; Y1293-L1298 PolarHBondContact O-N 3.39Å; L1298-N1300 VanDerWaalsContact C-N 3.33Å; L1298-N1300 PolarHBondContact O-N 3.48Å; L1298-I1301 HydrophobicContact CD2-CD1 4.39Å; L1298-I1301 PolarHBondContact O-N 3.37Å; L1298-L1302 WeakPolarHBondContact O-CB 3.22Å; L1298-L1302 VanDerWaalsContact O-CG 3.28Å; L1298-L1302 WeakPolarHBondContact O-CG 3.48Å; L1298-L1302 PolarHBondContact O-N 2.94Å; L1298-V1314 HydrophobicContact CB-CG1 3.97Å; L1298-V1314 HydrophobicContact CD1-CG1 4.31Å; L1298-V1314 HydrophobicContact CD2-CG1 3.76Å; L1298-V1314 HydrophobicContact CD2-CG2 4.21Å; L1298-V1314 HydrophobicContact CG-CG1 4.21Å; L1298-W1318 HydrophobicContact CD1-CB 4.14Å; L1298-W1318 HydrophobicContact CD1-CD2 4.1Å; L1298-W1318 HydrophobicContact CD1-CE3 3.7Å; L1298-W1318 HydrophobicContact CD1-CG 4.31Å; L1298-W1318 HydrophobicContact CD1-CZ3 4.5Å; L1298-M1409 HydrophobicContact CB-CE 4.1Å; L1298-M1409 HydrophobicContact CD1-CE 3.9Å |
| 1299 | D | 82.5 | Confident | 83.9 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 176 | -111.6 | -22.6 | 0 | 0 | 0 | 111.9 | L1294 K1295 A1303 R1416 | L1294-D1299 PolarHBondContact O-N 2.89Å; K1295-D1299 WeakPolarHBondContact CE-OD2 3.5Å; K1295-D1299 WeakPolarHBondContact CG-OD2 3.3Å; D1299-A1303 VanDerWaalsContact O-CB 3.25Å; D1299-A1303 WeakPolarHBondContact O-CB 3.25Å; D1299-A1303 PolarHBondContact O-N 3.46Å; D1299-R1416 PolarHBondContact O-NH1 3Å; D1299-R1416 IonicContact OD1-CZ 2.77Å; D1299-R1416 IonicContact OD1-NH1 3.75Å; D1299-R1416 PolarHBondContact OD1-NH1 3.46Å; D1299-R1416 IonicContact OD1-NH2 3.08Å; D1299-R1416 PolarHBondContact OD1-NH2 3.36Å; D1299-R1416 IonicContact OD2-NH2 3.74Å |
| 1300 | N | 84.2 | Confident | 84.5 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 175.7 | -71 | -17.7 | 0 | 0 | 0 | 111.4 | P1296 D1297 L1298 L1302 A1303 T1304 | P1296-N1300 VanDerWaalsContact O-CB 3.26Å; P1296-N1300 WeakPolarHBondContact O-CB 3.32Å; P1296-N1300 PolarHBondContact O-N 3.27Å; P1296-N1300 PolarHBondContact O-ND2 3.28Å; P1296-N1300 PolarHBondContact O-OD1 2.8Å; D1297-N1300 PolarHBondContact O-N 2.85Å; L1298-N1300 VanDerWaalsContact C-N 3.33Å; L1298-N1300 PolarHBondContact O-N 3.48Å; N1300-L1302 VanDerWaalsContact C-N 3.32Å; N1300-L1302 PolarHBondContact O-N 3.1Å; N1300-A1303 PolarHBondContact O-N 3.23Å; N1300-A1303 VanDerWaalsContact O-N 3.11Å; N1300-T1304 PolarHBondContact O-N 3.41Å; N1300-T1304 PolarHBondContact O-OG1 2.88Å |
| 1301 | I | 88.8 | Confident | 84.8 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 178.8 | -68.4 | 163.4 | 0 | 0 | 0 | 110.3 | W1292 D1297 L1298 A1303 T1304 S1305 L1310 V1314 | W1292-I1301 HydrophobicContact CD2-CD1 3.7Å; W1292-I1301 HydrophobicContact CE3-CD1 3.58Å; W1292-I1301 HydrophobicContact CG-CD1 4.29Å; W1292-I1301 HydrophobicContact CH2-CD1 4.17Å; W1292-I1301 HydrophobicContact CZ2-CD1 4.29Å; W1292-I1301 HydrophobicContact CZ3-CD1 3.83Å; D1297-I1301 VanDerWaalsContact O-CG1 3.3Å; D1297-I1301 WeakPolarHBondContact O-CG1 3.4Å; D1297-I1301 PolarHBondContact O-N 3.1Å; L1298-I1301 HydrophobicContact CD2-CD1 4.39Å; L1298-I1301 PolarHBondContact O-N 3.37Å; I1301-A1303 VanDerWaalsContact C-N 3.32Å; I1301-A1303 PolarHBondContact O-N 3.31Å; I1301-T1304 PolarHBondContact O-N 3.04Å; I1301-S1305 WeakPolarHBondContact O-CB 3.35Å; I1301-S1305 PolarHBondContact O-N 3.39Å; I1301-L1310 HydrophobicContact CG2-CD2 3.87Å; I1301-L1310 HydrophobicContact CG2-CG 3.98Å; I1301-V1314 HydrophobicContact CG2-CG2 4.04Å |
| 1302 | L | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 176.2 | -72 | 172 | 0 | 0 | 0 | 111.5 | L1298 N1300 L1311 V1314 R1407 M1409 | L1298-L1302 WeakPolarHBondContact O-CB 3.22Å; L1298-L1302 VanDerWaalsContact O-CG 3.28Å; L1298-L1302 WeakPolarHBondContact O-CG 3.48Å; L1298-L1302 PolarHBondContact O-N 2.94Å; N1300-L1302 VanDerWaalsContact C-N 3.32Å; N1300-L1302 PolarHBondContact O-N 3.1Å; L1302-L1311 HydrophobicContact CD2-CD2 3.72Å; L1302-V1314 HydrophobicContact CD2-CG1 4.26Å; L1302-V1314 HydrophobicContact CG-CG1 4.19Å; L1302-R1407 WeakPolarHBondContact CB-O 3.45Å; L1302-R1407 WeakPolarHBondContact O-CB 3.4Å; L1302-R1407 WeakPolarHBondContact O-CG 3.27Å; L1302-R1407 PolarHBondContact O-NE 2.82Å; L1302-R1407 VanDerWaalsContact O-NE 3.11Å; L1302-M1409 HydrophobicContact CD1-CB 3.75Å; L1302-M1409 HydrophobicContact CD1-CE 3.79Å; L1302-M1409 HydrophobicContact CD1-SD 4.34Å |
| 1303 | A | 78.6 | Confident | 85.3 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.5 | -24.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1299 N1300 I1301 R1407 | D1299-A1303 VanDerWaalsContact O-CB 3.25Å; D1299-A1303 WeakPolarHBondContact O-CB 3.25Å; D1299-A1303 PolarHBondContact O-N 3.46Å; N1300-A1303 PolarHBondContact O-N 3.23Å; N1300-A1303 VanDerWaalsContact O-N 3.11Å; I1301-A1303 VanDerWaalsContact C-N 3.32Å; I1301-A1303 PolarHBondContact O-N 3.31Å; A1303-R1407 PolarHBondContact O-NH2 3.06Å; A1303-R1407 VanDerWaalsContact O-NH2 3.1Å |
| 1304 | T | 81.5 | Confident | 85.5 | Confident | 110 Ų | 110 | 48.2 Ų | 48.2 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -115 | -23.1 | -174.5 | 62.3 | 0 | 0 | 0 | 0 | 114.8 | N1300 I1301 R1407 | N1300-T1304 PolarHBondContact O-N 3.41Å; N1300-T1304 PolarHBondContact O-OG1 2.88Å; I1301-T1304 PolarHBondContact O-N 3.04Å; T1304-R1407 PolarHBondContact O-NH2 2.82Å |
| 1305 | S | 85.1 | Confident | 85.8 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | trans | -78.9 | 142.4 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | I1301 D1307 R1407 | I1301-S1305 WeakPolarHBondContact O-CB 3.35Å; I1301-S1305 PolarHBondContact O-N 3.39Å; S1305-D1307 WeakPolarHBondContact OG-CB 3.29Å; S1305-D1307 PolarHBondContact OG-N 2.9Å; S1305-D1307 VanDerWaalsContact OG-N 3.1Å; S1305-R1407 PolarHBondContact O-NE 2.86Å; S1305-R1407 PolarHBondContact O-NH2 3.36Å | ||
| 1306 | N | 82.3 | Confident | 86.4 | Confident | 78 Ų | 78 | 42.1 Ų | 42.1 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | trans | -111.2 | 3.4 | 166 | -67.8 | -7.5 | 0 | 0 | 0 | 111.6 | T1308 F1392 R1407 | N1306-T1308 PolarHBondContact O-N 3.44Å; N1306-F1392 WeakPolarHBondContact O-CE1 3.4Å; N1306-R1407 PolarHBondContact OD1-NH2 2.88Å | ||
| 1307 | D | 85.7 | Confident | 87.2 | Confident | 82 Ų | 82 | 41 Ų | 41 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | trans | -75.8 | 109.8 | 176.9 | 177 | -15.1 | 0 | 0 | 0 | 109.7 | S1305 E1309 L1310 L1311 | S1305-D1307 WeakPolarHBondContact OG-CB 3.29Å; S1305-D1307 PolarHBondContact OG-N 2.9Å; S1305-D1307 VanDerWaalsContact OG-N 3.1Å; D1307-E1309 PolarHBondContact O-N 3.05Å; D1307-E1309 PolarHBondContact OD1-N 2.84Å; D1307-L1310 HydrophobicContact CB-CB 3.83Å; D1307-L1310 PolarHBondContact O-N 3.23Å; D1307-L1310 PolarHBondContact OD1-N 3.45Å; D1307-L1311 WeakPolarHBondContact O-CB 2.95Å; D1307-L1311 VanDerWaalsContact O-CG 3.22Å; D1307-L1311 WeakPolarHBondContact O-CG 3.15Å; D1307-L1311 PolarHBondContact O-N 3.46Å | ||
| 1308 | T | 84.9 | Confident | 87.5 | Confident | 43 Ų | 43 | 39.3 Ų | 39.3 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.2 | -39.1 | -177.1 | 53 | 0 | 0 | 0 | 0 | 112.5 | N1306 L1311 E1312 F1392 L1405 | N1306-T1308 PolarHBondContact O-N 3.44Å; T1308-L1311 PolarHBondContact O-N 3.01Å; T1308-E1312 WeakPolarHBondContact O-CB 3.29Å; T1308-E1312 PolarHBondContact O-N 2.9Å; T1308-F1392 HydrophobicContact CG2-CB 4.31Å; T1308-F1392 HydrophobicContact CG2-CD1 3.22Å; T1308-F1392 HydrophobicContact CG2-CE1 3.65Å; T1308-F1392 HydrophobicContact CG2-CG 3.89Å; T1308-L1405 HydrophobicContact CG2-CD2 3.78Å |
| 1309 | E | 87.3 | Confident | 87.6 | Confident | 146 Ų | 146 | 39.5 Ų | 39.5 | 68% | 0.682 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.7 | -40.7 | 178.2 | -66.2 | -175 | -179.7 | 0 | 0 | 110.6 | D1307 E1312 Y1313 | D1307-E1309 PolarHBondContact O-N 3.05Å; D1307-E1309 PolarHBondContact OD1-N 2.84Å; E1309-E1312 PolarHBondContact O-N 2.82Å; E1309-Y1313 VanDerWaalsContact O-CB 3.24Å; E1309-Y1313 WeakPolarHBondContact O-CB 3.11Å; E1309-Y1313 PolarHBondContact O-N 2.74Å |
| 1310 | L | 90.1 | Very high | 88 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.5 | -179 | 59.4 | 0 | 0 | 0 | 112.1 | I1277 W1292 I1301 D1307 Y1313 V1314 | I1277-L1310 HydrophobicContact CD1-CD1 4.46Å; I1277-L1310 HydrophobicContact CG2-CD1 4.49Å; W1292-L1310 HydrophobicContact CH2-CD1 4.35Å; W1292-L1310 HydrophobicContact CZ3-CD1 4.18Å; I1301-L1310 HydrophobicContact CG2-CD2 3.87Å; I1301-L1310 HydrophobicContact CG2-CG 3.98Å; D1307-L1310 HydrophobicContact CB-CB 3.83Å; D1307-L1310 PolarHBondContact O-N 3.23Å; D1307-L1310 PolarHBondContact OD1-N 3.45Å; L1310-Y1313 PolarHBondContact O-N 3.4Å; L1310-V1314 HydrophobicContact CD1-CG2 4.11Å; L1310-V1314 WeakPolarHBondContact O-CB 3.37Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.11Å; L1310-V1314 PolarHBondContact O-N 3.34Å |
| 1311 | L | 90.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.4 | -69.7 | 175.3 | 0 | 0 | 0 | 110.8 | L1302 D1307 T1308 W1315 H1404 R1407 | L1302-L1311 HydrophobicContact CD2-CD2 3.72Å; D1307-L1311 WeakPolarHBondContact O-CB 2.95Å; D1307-L1311 VanDerWaalsContact O-CG 3.22Å; D1307-L1311 WeakPolarHBondContact O-CG 3.15Å; D1307-L1311 PolarHBondContact O-N 3.46Å; T1308-L1311 PolarHBondContact O-N 3.01Å; L1311-W1315 WeakPolarHBondContact O-CB 3.38Å; L1311-W1315 PolarHBondContact O-N 2.85Å; L1311-H1404 HydrophobicContact CB-CB 4.45Å; L1311-R1407 HydrophobicContact CD1-CG 4.31Å |
| 1312 | E | 90.5 | Very high | 88.4 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 27% | 0.271 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 174.3 | 177.1 | 176.6 | -178.6 | 0 | 0 | 111.5 | T1308 E1309 W1315 T1316 H1404 P1641 V1642 | T1308-E1312 WeakPolarHBondContact O-CB 3.29Å; T1308-E1312 PolarHBondContact O-N 2.9Å; E1309-E1312 PolarHBondContact O-N 2.82Å; E1312-W1315 PolarHBondContact O-N 2.96Å; E1312-T1316 WeakPolarHBondContact O-CB 3.24Å; E1312-T1316 PolarHBondContact O-N 3.46Å; E1312-T1316 PolarHBondContact O-OG1 3.04Å; E1312-H1404 PolarHBondContact N-CD2 3.25Å; E1312-P1641 HydrophobicContact CB-CB 4.45Å; E1312-P1641 HydrophobicContact CG-CB 3.75Å; E1312-P1641 HydrophobicContact CG-CG 4.14Å; E1312-V1642 VanDerWaalsContact OE1-CG1 3.27Å; E1312-V1642 WeakPolarHBondContact OE1-CG1 3.41Å |
| 1313 | Y | 91.9 | Very high | 88.6 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59 | -54.1 | 179.5 | 175 | -98.2 | 0 | 0 | 0 | 111.6 | V1274 C1275 I1277 E1309 L1310 W1315 T1316 E1317 | V1274-Y1313 HydrophobicContact CG1-CE1 3.92Å; C1275-Y1313 WeakPolarHBondContact O-CE1 3.47Å; C1275-Y1313 PolarHBondContact O-OH 2.99Å; C1275-Y1313 VanDerWaalsContact O-OH 3.07Å; I1277-Y1313 HydrophobicContact CB-CD1 4.08Å; I1277-Y1313 HydrophobicContact CB-CE1 3.88Å; I1277-Y1313 HydrophobicContact CD1-CD1 4.12Å; I1277-Y1313 HydrophobicContact CD1-CD2 4.26Å; I1277-Y1313 HydrophobicContact CD1-CG 3.91Å; I1277-Y1313 HydrophobicContact CG1-CD1 4.1Å; I1277-Y1313 HydrophobicContact CG1-CD2 4.22Å; I1277-Y1313 HydrophobicContact CG1-CE1 4.13Å; I1277-Y1313 HydrophobicContact CG1-CE2 4.24Å; I1277-Y1313 HydrophobicContact CG1-CG 4.15Å; E1309-Y1313 VanDerWaalsContact O-CB 3.24Å; E1309-Y1313 WeakPolarHBondContact O-CB 3.11Å; E1309-Y1313 PolarHBondContact O-N 2.74Å; L1310-Y1313 PolarHBondContact O-N 3.4Å; Y1313-W1315 VanDerWaalsContact C-N 3.3Å; Y1313-W1315 PolarHBondContact O-N 3.03Å; Y1313-T1316 PolarHBondContact O-N 2.94Å; Y1313-E1317 HydrophobicContact CD2-CG 3.93Å; Y1313-E1317 HydrophobicContact CE1-CG 4.26Å; Y1313-E1317 HydrophobicContact CE2-CG 3.58Å; Y1313-E1317 HydrophobicContact CG-CG 4.41Å; Y1313-E1317 VanDerWaalsContact O-CB 3.27Å; Y1313-E1317 WeakPolarHBondContact O-CB 3.34Å; Y1313-E1317 WeakPolarHBondContact O-CG 3.18Å; Y1313-E1317 PolarHBondContact O-N 3.34Å |
| 1314 | V | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | -179.7 | 162.5 | 0 | 0 | 0 | 0 | 111.1 | W1292 L1298 I1301 L1302 L1310 W1318 M1409 | W1292-V1314 HydrophobicContact CE3-CG2 4.36Å; W1292-V1314 HydrophobicContact CZ3-CG2 4.21Å; L1298-V1314 HydrophobicContact CB-CG1 3.97Å; L1298-V1314 HydrophobicContact CD1-CG1 4.31Å; L1298-V1314 HydrophobicContact CD2-CG1 3.76Å; L1298-V1314 HydrophobicContact CD2-CG2 4.21Å; L1298-V1314 HydrophobicContact CG-CG1 4.21Å; I1301-V1314 HydrophobicContact CG2-CG2 4.04Å; L1302-V1314 HydrophobicContact CD2-CG1 4.26Å; L1302-V1314 HydrophobicContact CG-CG1 4.19Å; L1310-V1314 HydrophobicContact CD1-CG2 4.11Å; L1310-V1314 WeakPolarHBondContact O-CB 3.37Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.11Å; L1310-V1314 PolarHBondContact O-N 3.34Å; V1314-W1318 WeakPolarHBondContact O-CB 3.28Å; V1314-W1318 PolarHBondContact O-N 3.4Å; V1314-M1409 HydrophobicContact CG1-CE 3.88Å |
| 1315 | W | 91.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | -179.6 | -175.4 | 102.5 | 0 | 0 | 0 | 112 | L1311 E1312 Y1313 R1319 A1403 H1404 W1629 P1640 P1641 | L1311-W1315 WeakPolarHBondContact O-CB 3.38Å; L1311-W1315 PolarHBondContact O-N 2.85Å; E1312-W1315 PolarHBondContact O-N 2.96Å; Y1313-W1315 VanDerWaalsContact C-N 3.3Å; Y1313-W1315 PolarHBondContact O-N 3.03Å; W1315-R1319 VanDerWaalsContact CD1-NH1 3.32Å; W1315-R1319 VanDerWaalsContact CZ2-CD 3.42Å; W1315-R1319 PolarHBondContact O-N 3.48Å; W1315-A1403 HydrophobicContact CZ2-CB 3.85Å; W1315-H1404 HydrophobicContact CB-CB 3.84Å; W1315-H1404 HydrophobicContact CD2-CB 4.49Å; W1315-H1404 HydrophobicContact CG-CB 3.84Å; W1315-W1629 AromaticContact CH2-CH2 3.86Å; W1315-W1629 HydrophobicContact CH2-CH2 3.86Å; W1315-W1629 AromaticContact CH2-CZ2 3.37Å; W1315-W1629 HydrophobicContact CH2-CZ2 3.37Å; W1315-W1629 AromaticContact CZ2-CH2 3.5Å; W1315-W1629 HydrophobicContact CZ2-CH2 3.5Å; W1315-W1629 AromaticContact CZ2-CZ2 3.43Å; W1315-W1629 HydrophobicContact CZ2-CZ2 3.43Å; W1315-W1629 VanDerWaalsContact CZ2-CZ2 3.43Å; W1315-P1640 HydrophobicContact CH2-CB 3.76Å; W1315-P1640 HydrophobicContact CZ3-CB 4.33Å; W1315-P1641 HydrophobicContact CD2-CG 3.96Å; W1315-P1641 HydrophobicContact CE3-CG 3.39Å; W1315-P1641 HydrophobicContact CH2-CG 4.39Å; W1315-P1641 VanDerWaalsContact CZ3-CD 3.47Å; W1315-P1641 HydrophobicContact CZ3-CG 3.66Å |
| 1316 | T | 90.5 | Very high | 89.9 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 17% | 0.172 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.7 | -44.4 | -176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | E1312 Y1313 R1319 R1320 V1642 | E1312-T1316 WeakPolarHBondContact O-CB 3.24Å; E1312-T1316 PolarHBondContact O-N 3.46Å; E1312-T1316 PolarHBondContact O-OG1 3.04Å; Y1313-T1316 PolarHBondContact O-N 2.94Å; T1316-R1319 PolarHBondContact O-N 2.96Å; T1316-R1320 WeakPolarHBondContact O-CB 3.5Å; T1316-R1320 PolarHBondContact O-N 3.43Å; T1316-V1642 HydrophobicContact CG2-CG1 4.42Å; T1316-V1642 HydrophobicContact CG2-CG2 3.94Å |
| 1317 | E | 90.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -40.7 | -179.3 | -77.9 | -61 | 113.6 | 0 | 0 | 112.5 | V1274 Y1313 R1319 R1320 K1321 | V1274-E1317 HydrophobicContact CB-CB 4.45Å; V1274-E1317 HydrophobicContact CG1-CB 3.62Å; V1274-E1317 HydrophobicContact CG1-CG 4.32Å; V1274-E1317 HydrophobicContact CG2-CB 3.99Å; Y1313-E1317 HydrophobicContact CD2-CG 3.93Å; Y1313-E1317 HydrophobicContact CE1-CG 4.26Å; Y1313-E1317 HydrophobicContact CE2-CG 3.58Å; Y1313-E1317 HydrophobicContact CG-CG 4.41Å; Y1313-E1317 VanDerWaalsContact O-CB 3.27Å; Y1313-E1317 WeakPolarHBondContact O-CB 3.34Å; Y1313-E1317 WeakPolarHBondContact O-CG 3.18Å; Y1313-E1317 PolarHBondContact O-N 3.34Å; E1317-R1319 PolarHBondContact O-N 2.94Å; E1317-R1320 PolarHBondContact O-N 2.91Å; E1317-R1320 IonicContact OE1-CZ 3.44Å; E1317-R1320 IonicContact OE1-NE 3.84Å; E1317-R1320 PolarHBondContact OE1-NE 3.02Å; E1317-R1320 IonicContact OE1-NH2 3Å; E1317-R1320 PolarHBondContact OE1-NH2 3.38Å; E1317-R1320 IonicContact OE2-CZ 3.71Å; E1317-R1320 IonicContact OE2-NE 2.71Å; E1317-R1320 IonicContact OE2-NH2 3.84Å; E1317-R1320 PolarHBondContact OE2-NH2 3.49Å; E1317-K1321 WeakPolarHBondContact O-CB 3.17Å; E1317-K1321 WeakPolarHBondContact O-CG 3.31Å; E1317-K1321 PolarHBondContact O-N 2.94Å; E1317-K1321 VanDerWaalsContact OE2-CE 3.3Å; E1317-K1321 WeakPolarHBondContact OE2-CE 3.3Å |
| 1318 | W | 92.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58 | -50.1 | 176 | 176.5 | -107.3 | 0 | 0 | 0 | 111.3 | Y1269 T1272 V1274 L1294 L1298 V1314 R1320 K1321 V1322 M1409 S1653 | Y1269-W1318 HydrophobicContact CD2-CZ2 4.04Å; Y1269-W1318 HydrophobicContact CE1-CZ2 4.29Å; Y1269-W1318 AromaticContact CE2-CZ2 3.66Å; Y1269-W1318 HydrophobicContact CE2-CZ2 3.66Å; Y1269-W1318 AromaticContact CZ-CZ2 3.8Å; T1272-W1318 HydrophobicContact CG2-CZ3 4.23Å; V1274-W1318 HydrophobicContact CG2-CB 4.1Å; V1274-W1318 HydrophobicContact CG2-CE3 4.25Å; L1294-W1318 HydrophobicContact CB-CE3 4.45Å; L1294-W1318 HydrophobicContact CB-CH2 3.62Å; L1294-W1318 HydrophobicContact CB-CZ2 3.8Å; L1294-W1318 HydrophobicContact CB-CZ3 3.96Å; L1294-W1318 HydrophobicContact CD1-CD2 4.46Å; L1294-W1318 HydrophobicContact CD1-CZ2 4.28Å; L1294-W1318 HydrophobicContact CD2-CH2 4.33Å; L1294-W1318 HydrophobicContact CD2-CZ2 3.76Å; L1294-W1318 HydrophobicContact CG-CH2 4.48Å; L1294-W1318 HydrophobicContact CG-CZ2 4.16Å; L1298-W1318 HydrophobicContact CD1-CB 4.14Å; L1298-W1318 HydrophobicContact CD1-CD2 4.1Å; L1298-W1318 HydrophobicContact CD1-CE3 3.7Å; L1298-W1318 HydrophobicContact CD1-CG 4.31Å; L1298-W1318 HydrophobicContact CD1-CZ3 4.5Å; V1314-W1318 WeakPolarHBondContact O-CB 3.28Å; V1314-W1318 PolarHBondContact O-N 3.4Å; W1318-R1320 PolarHBondContact O-N 2.88Å; W1318-K1321 PolarHBondContact O-N 3.2Å; W1318-V1322 HydrophobicContact CD2-CG2 3.84Å; W1318-V1322 HydrophobicContact CE3-CG2 3.88Å; W1318-V1322 HydrophobicContact CH2-CG2 3.68Å; W1318-V1322 HydrophobicContact CZ2-CG2 3.65Å; W1318-V1322 HydrophobicContact CZ3-CG2 3.8Å; W1318-V1322 WeakPolarHBondContact O-CB 3.27Å; W1318-V1322 WeakPolarHBondContact O-CG2 3.47Å; W1318-V1322 PolarHBondContact O-N 3.15Å; W1318-M1409 HydrophobicContact CB-CE 3.71Å; W1318-M1409 HydrophobicContact CB-SD 3.98Å; W1318-M1409 VanDerWaalsContact CD1-SD 3.55Å; W1318-M1409 HydrophobicContact CG-CE 3.77Å; W1318-M1409 HydrophobicContact CG-SD 3.94Å; W1318-S1653 PolarHBondContact NE1-O 3.11Å |
| 1319 | R | 91.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 177.8 | -88.9 | 170.3 | 176.7 | 79.8 | 2.8 | 112.9 | W1315 T1316 E1317 G1323 M1409 D1650 S1653 E1654 | W1315-R1319 VanDerWaalsContact CD1-NH1 3.32Å; W1315-R1319 VanDerWaalsContact CZ2-CD 3.42Å; W1315-R1319 PolarHBondContact O-N 3.48Å; T1316-R1319 PolarHBondContact O-N 2.96Å; E1317-R1319 PolarHBondContact O-N 2.94Å; R1319-G1323 VanDerWaalsContact O-CA 3.3Å; R1319-G1323 WeakPolarHBondContact O-CA 3.33Å; R1319-G1323 PolarHBondContact O-N 3.21Å; R1319-M1409 VanDerWaalsContact CZ-O 3.23Å; R1319-M1409 PolarHBondContact NH1-O 3.48Å; R1319-M1409 PolarHBondContact NH2-O 3.34Å; R1319-D1650 HydrophobicContact CG-CB 4.07Å; R1319-S1653 WeakPolarHBondContact CG-OG 3.35Å; R1319-E1654 IonicContact NH2-OE1 3.38Å |
| 1320 | R | 89.4 | Confident | 91.7 | Very high | 94 Ų | 94 | 32.2 Ų | 32.2 | 36% | 0.355 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 178.7 | -171.1 | 174.3 | 70.5 | 121.4 | -2.6 | 111.4 | T1316 E1317 W1318 Q1324 | T1316-R1320 WeakPolarHBondContact O-CB 3.5Å; T1316-R1320 PolarHBondContact O-N 3.43Å; E1317-R1320 PolarHBondContact O-N 2.91Å; E1317-R1320 IonicContact OE1-CZ 3.44Å; E1317-R1320 IonicContact OE1-NE 3.84Å; E1317-R1320 PolarHBondContact OE1-NE 3.02Å; E1317-R1320 IonicContact OE1-NH2 3Å; E1317-R1320 PolarHBondContact OE1-NH2 3.38Å; E1317-R1320 IonicContact OE2-CZ 3.71Å; E1317-R1320 IonicContact OE2-NE 2.71Å; E1317-R1320 IonicContact OE2-NH2 3.84Å; E1317-R1320 PolarHBondContact OE2-NH2 3.49Å; W1318-R1320 PolarHBondContact O-N 2.88Å; R1320-Q1324 WeakPolarHBondContact O-CB 3.5Å; R1320-Q1324 VanDerWaalsContact O-CG 3.24Å; R1320-Q1324 WeakPolarHBondContact O-CG 3.34Å; R1320-Q1324 PolarHBondContact O-N 2.92Å |
| 1321 | K | 90.2 | Very high | 91.8 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 23% | 0.226 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.2 | -38.5 | -174.7 | -64.8 | -69.9 | -178.4 | -179.5 | 0 | 112.7 | T1272 E1317 W1318 R1325 | T1272-K1321 HydrophobicContact CG2-CB 3.49Å; T1272-K1321 VanDerWaalsContact CG2-CB 3.49Å; E1317-K1321 WeakPolarHBondContact O-CB 3.17Å; E1317-K1321 WeakPolarHBondContact O-CG 3.31Å; E1317-K1321 PolarHBondContact O-N 2.94Å; E1317-K1321 VanDerWaalsContact OE2-CE 3.3Å; E1317-K1321 WeakPolarHBondContact OE2-CE 3.3Å; W1318-K1321 PolarHBondContact O-N 3.2Å; K1321-R1325 VanDerWaalsContact O-CD 3.26Å; K1321-R1325 WeakPolarHBondContact O-CD 3.45Å; K1321-R1325 WeakPolarHBondContact O-CG 3.41Å |
| 1322 | V | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -82.6 | -52.9 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | Y1269 T1272 W1318 Q1324 R1325 V1326 G1652 | Y1269-V1322 HydrophobicContact CD2-CG1 3.76Å; T1272-V1322 HydrophobicContact CG2-CG2 3.55Å; W1318-V1322 HydrophobicContact CD2-CG2 3.84Å; W1318-V1322 HydrophobicContact CE3-CG2 3.88Å; W1318-V1322 HydrophobicContact CH2-CG2 3.68Å; W1318-V1322 HydrophobicContact CZ2-CG2 3.65Å; W1318-V1322 HydrophobicContact CZ3-CG2 3.8Å; W1318-V1322 WeakPolarHBondContact O-CB 3.27Å; W1318-V1322 WeakPolarHBondContact O-CG2 3.47Å; W1318-V1322 PolarHBondContact O-N 3.15Å; V1322-Q1324 PolarHBondContact O-N 3.46Å; V1322-R1325 PolarHBondContact O-N 2.91Å; V1322-R1325 VanDerWaalsContact O-N 3.07Å; V1322-V1326 HydrophobicContact CG1-CG2 3.82Å; V1322-V1326 WeakPolarHBondContact O-CB 3.5Å; V1322-V1326 VanDerWaalsContact O-CG2 3.31Å; V1322-V1326 WeakPolarHBondContact O-CG2 3.5Å; V1322-V1326 PolarHBondContact O-N 3.11Å; V1322-G1652 WeakPolarHBondContact CG1-O 3.4Å |
| 1323 | G | 91.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1319 R1325 V1326 L1327 F1649 | R1319-G1323 VanDerWaalsContact O-CA 3.3Å; R1319-G1323 WeakPolarHBondContact O-CA 3.33Å; R1319-G1323 PolarHBondContact O-N 3.21Å; G1323-R1325 VanDerWaalsContact C-N 3.29Å; G1323-R1325 PolarHBondContact O-N 2.98Å; G1323-V1326 PolarHBondContact O-N 3.41Å; G1323-L1327 WeakPolarHBondContact O-CB 3.48Å; G1323-L1327 PolarHBondContact O-N 3.49Å; G1323-F1649 WeakPolarHBondContact CA-O 3.31Å |
| 1324 | Q | 88.3 | Confident | 92.3 | Very high | 86 Ų | 86 | 33.6 Ų | 33.6 | 40% | 0.402 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.2 | -34.9 | 178.5 | -69.7 | -179.6 | -6.8 | 0 | 0 | 112.8 | R1320 V1322 | R1320-Q1324 WeakPolarHBondContact O-CB 3.5Å; R1320-Q1324 VanDerWaalsContact O-CG 3.24Å; R1320-Q1324 WeakPolarHBondContact O-CG 3.34Å; R1320-Q1324 PolarHBondContact O-N 2.92Å; V1322-Q1324 PolarHBondContact O-N 3.46Å |
| 1325 | R | 91.3 | Very high | 92.3 | Very high | 125 Ų | 125 | 41.3 Ų | 41.3 | 47% | 0.472 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -77.9 | -34.2 | 178.7 | -67.6 | 178 | 178.4 | 175.8 | -5.1 | 112.6 | A1268 T1272 K1321 V1322 G1323 | A1268-R1325 HydrophobicContact CB-CB 4.01Å; T1272-R1325 PolarHBondContact OG1-NH1 3.41Å; K1321-R1325 VanDerWaalsContact O-CD 3.26Å; K1321-R1325 WeakPolarHBondContact O-CD 3.45Å; K1321-R1325 WeakPolarHBondContact O-CG 3.41Å; V1322-R1325 PolarHBondContact O-N 2.91Å; V1322-R1325 VanDerWaalsContact O-N 3.07Å; G1323-R1325 VanDerWaalsContact C-N 3.29Å; G1323-R1325 PolarHBondContact O-N 2.98Å |
| 1326 | V | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.2 | -32.2 | -178.5 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | M1265 A1268 V1322 G1323 S1329 F1330 F1649 V1658 | M1265-V1326 HydrophobicContact CB-CG1 4.19Å; M1265-V1326 HydrophobicContact CE-CG1 3.89Å; M1265-V1326 HydrophobicContact CG-CG1 3.84Å; M1265-V1326 HydrophobicContact SD-CG1 4.38Å; A1268-V1326 HydrophobicContact CB-CG2 4.08Å; V1322-V1326 HydrophobicContact CG1-CG2 3.82Å; V1322-V1326 WeakPolarHBondContact O-CB 3.5Å; V1322-V1326 VanDerWaalsContact O-CG2 3.31Å; V1322-V1326 WeakPolarHBondContact O-CG2 3.5Å; V1322-V1326 PolarHBondContact O-N 3.11Å; G1323-V1326 PolarHBondContact O-N 3.41Å; V1326-S1329 PolarHBondContact O-N 3.36Å; V1326-F1330 HydrophobicContact CG1-CB 4.37Å; V1326-F1330 WeakPolarHBondContact O-CB 3.26Å; V1326-F1330 PolarHBondContact O-N 3.29Å; V1326-F1649 HydrophobicContact CG1-CD1 4.3Å; V1326-F1649 HydrophobicContact CG1-CE1 3.96Å; V1326-V1658 HydrophobicContact CG1-CG2 4.23Å; V1326-V1658 HydrophobicContact CG2-CG2 4.25Å |
| 1327 | L | 92.7 | Very high | 92.4 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.2 | -47.4 | -172.2 | 177.5 | 62.6 | 0 | 0 | 0 | 115 | G1323 F1330 K1331 L1624 F1649 | G1323-L1327 WeakPolarHBondContact O-CB 3.48Å; G1323-L1327 PolarHBondContact O-N 3.49Å; L1327-F1330 PolarHBondContact O-N 3.18Å; L1327-K1331 HydrophobicContact CD1-CG 4.42Å; L1327-K1331 WeakPolarHBondContact O-CG 3.15Å; L1327-K1331 PolarHBondContact O-N 2.82Å; L1327-K1331 VanDerWaalsContact O-N 3.15Å; L1327-L1624 HydrophobicContact CD1-CD1 3.67Å; L1327-F1649 HydrophobicContact CB-CB 3.88Å; L1327-F1649 HydrophobicContact CB-CD1 3.85Å; L1327-F1649 HydrophobicContact CB-CG 4.1Å; L1327-F1649 HydrophobicContact CD1-CB 3.95Å; L1327-F1649 HydrophobicContact CD1-CD1 3.98Å; L1327-F1649 HydrophobicContact CD1-CD2 4.08Å; L1327-F1649 HydrophobicContact CD1-CG 3.74Å; L1327-F1649 HydrophobicContact CD2-CB 4.26Å; L1327-F1649 HydrophobicContact CG-CB 4.24Å; L1327-F1649 HydrophobicContact CG-CG 4.43Å |
| 1328 | P | 93.2 | Very high | 92.5 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 49% | 0.487 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.3 | -49 | 179.3 | -23.2 | 34.7 | 0 | 0 | 0 | 112.1 | F1330 K1331 E1332 | P1328-F1330 VanDerWaalsContact C-N 3.33Å; P1328-F1330 PolarHBondContact O-N 3Å; P1328-K1331 PolarHBondContact O-N 3.35Å; P1328-E1332 PolarHBondContact O-N 2.86Å |
| 1329 | S | 95.7 | Very high | 92.4 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | A1261 N1264 V1326 K1331 E1332 L1333 | A1261-S1329 WeakPolarHBondContact CB-O 3.42Å; N1264-S1329 WeakPolarHBondContact CB-OG 3.32Å; V1326-S1329 PolarHBondContact O-N 3.36Å; S1329-K1331 PolarHBondContact O-N 3.01Å; S1329-E1332 PolarHBondContact O-N 3.33Å; S1329-L1333 WeakPolarHBondContact O-CB 3.3Å; S1329-L1333 PolarHBondContact O-N 3Å |
| 1330 | F | 95.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 174 | -178.2 | -100 | 0 | 0 | 0 | 112.4 | M1265 V1326 L1327 P1328 E1332 L1333 I1334 I1614 L1624 F1649 V1657 | M1265-F1330 HydrophobicContact CE-CB 4.32Å; M1265-F1330 HydrophobicContact CE-CD2 3.79Å; M1265-F1330 VanDerWaalsContact SD-CA 3.57Å; M1265-F1330 HydrophobicContact SD-CB 4.01Å; M1265-F1330 HydrophobicContact SD-CD2 4.3Å; V1326-F1330 HydrophobicContact CG1-CB 4.37Å; V1326-F1330 WeakPolarHBondContact O-CB 3.26Å; V1326-F1330 PolarHBondContact O-N 3.29Å; L1327-F1330 PolarHBondContact O-N 3.18Å; P1328-F1330 VanDerWaalsContact C-N 3.33Å; P1328-F1330 PolarHBondContact O-N 3Å; F1330-E1332 VanDerWaalsContact C-N 3.34Å; F1330-E1332 PolarHBondContact O-N 3.33Å; F1330-L1333 PolarHBondContact O-N 2.95Å; F1330-I1334 HydrophobicContact CD1-CG1 4.27Å; F1330-I1334 HydrophobicContact CE1-CD1 4.44Å; F1330-I1334 HydrophobicContact CE1-CG1 3.81Å; F1330-I1334 HydrophobicContact CE2-CD1 4.11Å; F1330-I1334 HydrophobicContact CE2-CG1 4.1Å; F1330-I1334 HydrophobicContact CZ-CD1 3.86Å; F1330-I1334 HydrophobicContact CZ-CG1 3.72Å; F1330-I1334 WeakPolarHBondContact O-CG1 3.38Å; F1330-I1334 PolarHBondContact O-N 2.87Å; F1330-I1614 HydrophobicContact CE1-CD1 4.18Å; F1330-I1614 HydrophobicContact CZ-CD1 4.18Å; F1330-L1624 HydrophobicContact CD1-CD1 4.5Å; F1330-F1649 HydrophobicContact CB-CE1 3.74Å; F1330-F1649 HydrophobicContact CB-CZ 4.15Å; F1330-F1649 AromaticContact CD1-CE1 3.83Å; F1330-F1649 HydrophobicContact CD1-CE1 3.83Å; F1330-F1649 HydrophobicContact CD1-CE2 4.07Å; F1330-F1649 AromaticContact CD1-CZ 3.33Å; F1330-F1649 HydrophobicContact CD1-CZ 3.33Å; F1330-F1649 HydrophobicContact CD2-CE1 4.18Å; F1330-F1649 AromaticContact CD2-CZ 3.95Å; F1330-F1649 HydrophobicContact CD2-CZ 3.95Å; F1330-F1649 HydrophobicContact CE1-CE1 4.5Å; F1330-F1649 HydrophobicContact CE1-CE2 4.11Å; F1330-F1649 AromaticContact CE1-CZ 3.6Å; F1330-F1649 HydrophobicContact CE1-CZ 3.6Å; F1330-F1649 HydrophobicContact CE2-CZ 4.18Å; F1330-F1649 AromaticContact CG-CE1 3.64Å; F1330-F1649 HydrophobicContact CG-CE1 3.64Å; F1330-F1649 AromaticContact CG-CZ 3.53Å; F1330-F1649 HydrophobicContact CG-CZ 3.53Å; F1330-F1649 HydrophobicContact CZ-CZ 4.01Å; F1330-V1657 HydrophobicContact CD2-CG1 4.16Å; F1330-V1657 HydrophobicContact CE2-CG1 3.74Å; F1330-V1657 HydrophobicContact CZ-CG1 4.46Å |
| 1331 | K | 93.8 | Very high | 92.1 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.4 | -69.1 | -179.6 | 179.2 | -178 | 0 | 111.5 | L1327 P1328 S1329 R1335 M1621 | L1327-K1331 HydrophobicContact CD1-CG 4.42Å; L1327-K1331 WeakPolarHBondContact O-CG 3.15Å; L1327-K1331 PolarHBondContact O-N 2.82Å; L1327-K1331 VanDerWaalsContact O-N 3.15Å; P1328-K1331 PolarHBondContact O-N 3.35Å; S1329-K1331 PolarHBondContact O-N 3.01Å; K1331-R1335 WeakPolarHBondContact O-CB 3.39Å; K1331-R1335 PolarHBondContact O-N 3.45Å; K1331-R1335 VanDerWaalsContact O-N 3.13Å; K1331-M1621 HydrophobicContact CG-SD 3.92Å |
| 1332 | E | 93.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 39.1 Ų | 39.1 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 174.9 | -68.9 | 174.7 | 159.8 | 0 | 0 | 111.5 | L1257 A1261 P1328 S1329 F1330 R1335 A1336 | L1257-E1332 HydrophobicContact CD1-CB 4.04Å; L1257-E1332 HydrophobicContact CD1-CG 4.31Å; L1257-E1332 HydrophobicContact CD2-CB 4.41Å; L1257-E1332 HydrophobicContact CG-CB 4.2Å; A1261-E1332 HydrophobicContact CB-CB 4.16Å; P1328-E1332 PolarHBondContact O-N 2.86Å; S1329-E1332 PolarHBondContact O-N 3.33Å; F1330-E1332 VanDerWaalsContact C-N 3.34Å; F1330-E1332 PolarHBondContact O-N 3.33Å; E1332-R1335 PolarHBondContact O-N 2.81Å; E1332-A1336 VanDerWaalsContact O-CB 3.26Å; E1332-A1336 WeakPolarHBondContact O-CB 3.27Å; E1332-A1336 PolarHBondContact O-N 3.37Å |
| 1333 | L | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -51.2 | 178 | -176.3 | 144.8 | 0 | 0 | 0 | 111.1 | F1258 A1261 L1262 M1265 S1329 F1330 R1335 A1336 F1337 | F1258-L1333 HydrophobicContact CD2-CG 4.03Å; F1258-L1333 HydrophobicContact CE2-CD1 4.33Å; F1258-L1333 HydrophobicContact CE2-CD2 4.32Å; F1258-L1333 HydrophobicContact CE2-CG 4.07Å; A1261-L1333 HydrophobicContact CB-CB 3.84Å; L1262-L1333 HydrophobicContact CB-CD1 3.88Å; L1262-L1333 HydrophobicContact CD1-CD1 4.04Å; M1265-L1333 HydrophobicContact CE-CD1 4.4Å; M1265-L1333 HydrophobicContact SD-CB 4.17Å; M1265-L1333 HydrophobicContact SD-CD1 3.81Å; S1329-L1333 WeakPolarHBondContact O-CB 3.3Å; S1329-L1333 PolarHBondContact O-N 3Å; F1330-L1333 PolarHBondContact O-N 2.95Å; L1333-R1335 PolarHBondContact O-N 2.82Å; L1333-A1336 PolarHBondContact O-N 3.31Å; L1333-F1337 HydrophobicContact CD2-CD1 4.47Å; L1333-F1337 WeakPolarHBondContact O-CB 3.45Å; L1333-F1337 PolarHBondContact O-N 3.43Å |
| 1334 | I | 94.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | -179.4 | -65.8 | -63.2 | 0 | 0 | 0 | 111.4 | F1330 A1336 F1337 N1338 I1614 M1615 M1621 | F1330-I1334 HydrophobicContact CD1-CG1 4.27Å; F1330-I1334 HydrophobicContact CE1-CD1 4.44Å; F1330-I1334 HydrophobicContact CE1-CG1 3.81Å; F1330-I1334 HydrophobicContact CE2-CD1 4.11Å; F1330-I1334 HydrophobicContact CE2-CG1 4.1Å; F1330-I1334 HydrophobicContact CZ-CD1 3.86Å; F1330-I1334 HydrophobicContact CZ-CG1 3.72Å; F1330-I1334 WeakPolarHBondContact O-CG1 3.38Å; F1330-I1334 PolarHBondContact O-N 2.87Å; I1334-A1336 PolarHBondContact O-N 3.12Å; I1334-F1337 PolarHBondContact O-N 3.11Å; I1334-N1338 WeakPolarHBondContact O-CB 3.31Å; I1334-N1338 PolarHBondContact O-N 3.25Å; I1334-I1614 HydrophobicContact CD1-CG2 4.4Å; I1334-I1614 HydrophobicContact CG1-CG2 4.16Å; I1334-I1614 HydrophobicContact CG2-CG2 3.95Å; I1334-M1615 HydrophobicContact CD1-CE 3.76Å; I1334-M1615 HydrophobicContact CD1-CG 4.16Å; I1334-M1621 HydrophobicContact CB-CE 3.87Å; I1334-M1621 HydrophobicContact CG1-CE 4.47Å; I1334-M1621 HydrophobicContact CG2-CE 3.62Å |
| 1335 | R | 92.1 | Very high | 90.6 | Very high | 162 Ų | 162 | 46.6 Ų | 46.6 | 61% | 0.611 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59 | -49.2 | 178.1 | -170.2 | -171.1 | 85.7 | 169.2 | 5.4 | 111 | K1331 E1332 L1333 S1339 | K1331-R1335 WeakPolarHBondContact O-CB 3.39Å; K1331-R1335 PolarHBondContact O-N 3.45Å; K1331-R1335 VanDerWaalsContact O-N 3.13Å; E1332-R1335 PolarHBondContact O-N 2.81Å; L1333-R1335 PolarHBondContact O-N 2.82Å; R1335-S1339 WeakPolarHBondContact O-CB 3.22Å; R1335-S1339 PolarHBondContact O-N 3.11Å |
| 1336 | A | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1254 L1257 F1258 E1332 L1333 I1334 N1338 S1339 V1340 | D1254-A1336 HydrophobicContact CB-CB 4.41Å; D1254-A1336 WeakPolarHBondContact O-CB 3.07Å; L1257-A1336 HydrophobicContact CB-CB 4.24Å; L1257-A1336 HydrophobicContact CD2-CB 4.25Å; L1257-A1336 HydrophobicContact CG-CB 4.24Å; F1258-A1336 HydrophobicContact CB-CB 4.01Å; E1332-A1336 VanDerWaalsContact O-CB 3.26Å; E1332-A1336 WeakPolarHBondContact O-CB 3.27Å; E1332-A1336 PolarHBondContact O-N 3.37Å; L1333-A1336 PolarHBondContact O-N 3.31Å; I1334-A1336 PolarHBondContact O-N 3.12Å; A1336-N1338 PolarHBondContact O-N 3.03Å; A1336-S1339 WeakPolarHBondContact O-CB 3.23Å; A1336-S1339 PolarHBondContact O-N 2.03Å; A1336-V1340 WeakPolarHBondContact O-CG2 3.43Å; A1336-V1340 PolarHBondContact O-N 3.35Å |
| 1337 | F | 92.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | -174.7 | -162.2 | -160.2 | 0 | 0 | 0 | 112.1 | L1248 F1258 L1333 I1334 V1340 A1341 A1349 W1352 W1353 M1615 | L1248-F1337 HydrophobicContact CD1-CD2 3.86Å; L1248-F1337 HydrophobicContact CD1-CE2 3.26Å; L1248-F1337 HydrophobicContact CD1-CZ 4.25Å; F1258-F1337 HydrophobicContact CD2-CB 3.92Å; F1258-F1337 HydrophobicContact CD2-CD2 4.01Å; F1258-F1337 HydrophobicContact CD2-CG 4.07Å; F1258-F1337 HydrophobicContact CE2-CB 4.05Å; F1258-F1337 HydrophobicContact CE2-CD1 4.14Å; F1258-F1337 AromaticContact CE2-CD2 3.59Å; F1258-F1337 HydrophobicContact CE2-CD2 3.59Å; F1258-F1337 HydrophobicContact CE2-CE1 4.48Å; F1258-F1337 AromaticContact CE2-CE2 3.92Å; F1258-F1337 HydrophobicContact CE2-CE2 3.92Å; F1258-F1337 AromaticContact CE2-CG 3.71Å; F1258-F1337 HydrophobicContact CE2-CG 3.71Å; F1258-F1337 HydrophobicContact CE2-CZ 4.39Å; F1258-F1337 HydrophobicContact CZ-CD2 4.36Å; F1258-F1337 HydrophobicContact CZ-CE2 4.29Å; L1333-F1337 HydrophobicContact CD2-CD1 4.47Å; L1333-F1337 WeakPolarHBondContact O-CB 3.45Å; L1333-F1337 PolarHBondContact O-N 3.43Å; I1334-F1337 PolarHBondContact O-N 3.11Å; F1337-V1340 PolarHBondContact O-N 2.98Å; F1337-A1341 WeakPolarHBondContact O-CB 3.35Å; F1337-A1341 PolarHBondContact O-N 2.99Å; F1337-A1349 HydrophobicContact CB-CB 4.17Å; F1337-A1349 HydrophobicContact CD1-CB 3.36Å; F1337-A1349 HydrophobicContact CD2-CB 3.9Å; F1337-A1349 HydrophobicContact CE1-CB 3.62Å; F1337-A1349 HydrophobicContact CE2-CB 4.17Å; F1337-A1349 HydrophobicContact CG-CB 3.48Å; F1337-A1349 VanDerWaalsContact CG-CB 3.48Å; F1337-A1349 HydrophobicContact CZ-CB 4.01Å; F1337-W1352 HydrophobicContact CE2-CE3 4.29Å; F1337-W1352 HydrophobicContact CE2-CZ3 4.21Å; F1337-W1352 HydrophobicContact CZ-CE3 4.14Å; F1337-W1352 HydrophobicContact CZ-CZ3 4.05Å; F1337-W1353 AromaticContact CE1-CE2 3.9Å; F1337-W1353 HydrophobicContact CE1-CH2 4.02Å; F1337-W1353 AromaticContact CE1-CZ2 3.45Å; F1337-W1353 HydrophobicContact CE1-CZ2 3.45Å; F1337-W1353 VanDerWaalsContact CE1-CZ2 3.45Å; F1337-W1353 AromaticContact CZ-CE2 3.85Å; F1337-W1353 AromaticContact CZ-CZ2 3.75Å; F1337-W1353 HydrophobicContact CZ-CZ2 3.75Å; F1337-W1353 AromaticContact CZ-NE1 3.68Å; F1337-M1615 HydrophobicContact CD1-CE 3.93Å; F1337-M1615 HydrophobicContact CE1-CE 3.92Å |
| 1338 | N | 92.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 172.7 | -80.3 | -7.3 | 0 | 0 | 0 | 112.4 | I1334 A1336 V1340 A1341 N1342 A1349 M1615 | I1334-N1338 WeakPolarHBondContact O-CB 3.31Å; I1334-N1338 PolarHBondContact O-N 3.25Å; A1336-N1338 PolarHBondContact O-N 3.03Å; N1338-V1340 VanDerWaalsContact C-N 3.31Å; N1338-V1340 PolarHBondContact O-N 3.46Å; N1338-A1341 PolarHBondContact O-N 3.21Å; N1338-N1342 WeakPolarHBondContact O-CB 3Å; N1338-N1342 PolarHBondContact O-N 3.5Å; N1338-N1342 PolarHBondContact O-OD1 2.81Å; N1338-A1349 WeakPolarHBondContact OD1-CB 3.23Å; N1338-A1349 PolarHBondContact OD1-N 3.49Å; N1338-M1615 PolarHBondContact ND2-O 2.9Å |
| 1339 | S | 89.4 | Confident | 90.1 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | D1254 R1335 A1336 R1343 | D1254-S1339 WeakPolarHBondContact OD2-CB 3.36Å; D1254-S1339 PolarHBondContact OD2-OG 3.16Å; R1335-S1339 WeakPolarHBondContact O-CB 3.22Å; R1335-S1339 PolarHBondContact O-N 3.11Å; A1336-S1339 WeakPolarHBondContact O-CB 3.23Å; A1336-S1339 PolarHBondContact O-N 2.03Å; S1339-R1343 WeakPolarHBondContact O-CG 3.24Å; S1339-R1343 PolarHBondContact O-N 3Å; S1339-R1343 VanDerWaalsContact O-N 3.1Å; S1339-R1343 PolarHBondContact OG-NH2 2.95Å |
| 1340 | V | 85.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | L1248 S1249 D1254 A1336 F1337 N1338 S1344 | L1248-V1340 HydrophobicContact CB-CG1 3.67Å; L1248-V1340 HydrophobicContact CD2-CG1 3.94Å; L1248-V1340 HydrophobicContact CG-CG1 4.32Å; S1249-V1340 VanDerWaalsContact O-CG1 3.27Å; S1249-V1340 WeakPolarHBondContact O-CG1 3.05Å; D1254-V1340 HydrophobicContact CB-CG2 3.98Å; A1336-V1340 WeakPolarHBondContact O-CG2 3.43Å; A1336-V1340 PolarHBondContact O-N 3.35Å; F1337-V1340 PolarHBondContact O-N 2.98Å; N1338-V1340 VanDerWaalsContact C-N 3.31Å; N1338-V1340 PolarHBondContact O-N 3.46Å; V1340-S1344 WeakPolarHBondContact O-CB 3.12Å; V1340-S1344 PolarHBondContact O-N 3.24Å; V1340-S1344 VanDerWaalsContact O-N 3.1Å; V1340-S1344 PolarHBondContact O-OG 3.49Å |
| 1341 | A | 88.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1248 F1337 N1338 R1343 S1344 G1345 Y1346 D1348 A1349 | L1248-A1341 HydrophobicContact CD2-CB 4.06Å; F1337-A1341 WeakPolarHBondContact O-CB 3.35Å; F1337-A1341 PolarHBondContact O-N 2.99Å; N1338-A1341 PolarHBondContact O-N 3.21Å; A1341-R1343 PolarHBondContact O-N 3.16Å; A1341-S1344 CarbonylContact O-C 3.58Å; A1341-S1344 WeakPolarHBondContact O-CA 3.37Å; A1341-S1344 WeakPolarHBondContact O-CB 3.32Å; A1341-S1344 PolarHBondContact O-N 3.49Å; A1341-G1345 PolarHBondContact O-N 3.27Å; A1341-Y1346 PolarHBondContact O-N 2.91Å; A1341-D1348 VanDerWaalsContact CB-C 3.47Å; A1341-A1349 HydrophobicContact CB-CB 4.13Å |
| 1342 | N | 86.6 | Confident | 89.5 | Confident | 91 Ų | 91 | 45.5 Ų | 45.5 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 177.6 | -71.5 | 6.2 | 0 | 0 | 0 | 111.9 | N1338 S1344 G1345 Y1346 E1347 | N1338-N1342 WeakPolarHBondContact O-CB 3Å; N1338-N1342 PolarHBondContact O-N 3.5Å; N1338-N1342 PolarHBondContact O-OD1 2.81Å; N1342-S1344 PolarHBondContact O-N 3.47Å; N1342-G1345 PolarHBondContact O-N 2.94Å; N1342-G1345 VanDerWaalsContact O-N 3.1Å; N1342-Y1346 VanDerWaalsContact CA-O 3.31Å; N1342-Y1346 WeakPolarHBondContact CA-O 3.35Å; N1342-Y1346 PolarHBondContact OD1-O 3.5Å; N1342-E1347 VanDerWaalsContact OD1-C 3.31Å; N1342-E1347 PolarHBondContact OD1-O 3.46Å |
| 1343 | R | 82.1 | Confident | 89.3 | Confident | 148 Ų | 148 | 42.1 Ų | 42.1 | 56% | 0.558 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.2 | -27.2 | 173.7 | -72.9 | -179.1 | -173 | 143.2 | 12 | 112.9 | T1252 D1254 S1339 A1341 G1345 | T1252-R1343 PolarHBondContact OG1-NH1 3.24Å; D1254-R1343 IonicContact OD2-CZ 3.47Å; D1254-R1343 IonicContact OD2-NH1 2.58Å; D1254-R1343 PolarHBondContact OD2-NH1 3.22Å; D1254-R1343 IonicContact OD2-NH2 3.56Å; D1254-R1343 PolarHBondContact OD2-NH2 2.75Å; S1339-R1343 WeakPolarHBondContact O-CG 3.24Å; S1339-R1343 PolarHBondContact O-N 3Å; S1339-R1343 VanDerWaalsContact O-N 3.1Å; S1339-R1343 PolarHBondContact OG-NH2 2.95Å; A1341-R1343 PolarHBondContact O-N 3.16Å; R1343-G1345 VanDerWaalsContact C-N 3.3Å |
| 1344 | S | 80.8 | Confident | 89.1 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.8 | 179 | -52.2 | 0 | 0 | 0 | 0 | 113 | V1340 A1341 N1342 | V1340-S1344 WeakPolarHBondContact O-CB 3.12Å; V1340-S1344 PolarHBondContact O-N 3.24Å; V1340-S1344 VanDerWaalsContact O-N 3.1Å; V1340-S1344 PolarHBondContact O-OG 3.49Å; A1341-S1344 CarbonylContact O-C 3.58Å; A1341-S1344 WeakPolarHBondContact O-CA 3.37Å; A1341-S1344 WeakPolarHBondContact O-CB 3.32Å; A1341-S1344 PolarHBondContact O-N 3.49Å; N1342-S1344 PolarHBondContact O-N 3.47Å |
| 1345 | G | 82.1 | Confident | 88.9 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 73% | 0.732 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 12.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1341 N1342 R1343 | A1341-G1345 PolarHBondContact O-N 3.27Å; N1342-G1345 PolarHBondContact O-N 2.94Å; N1342-G1345 VanDerWaalsContact O-N 3.1Å; R1343-G1345 VanDerWaalsContact C-N 3.3Å |
| 1346 | Y | 87.8 | Confident | 88.7 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 18% | 0.184 | 22% | 0.215 | C | C | . | . | trans | -96.2 | 150.6 | 171.4 | -61.1 | -88.4 | 0 | 0 | 0 | 109.8 | K1245 A1341 N1342 D1348 W1352 | K1245-Y1346 WeakPolarHBondContact CE-OH 3.34Å; A1341-Y1346 PolarHBondContact O-N 2.91Å; N1342-Y1346 VanDerWaalsContact CA-O 3.31Å; N1342-Y1346 WeakPolarHBondContact CA-O 3.35Å; N1342-Y1346 PolarHBondContact OD1-O 3.5Å; Y1346-D1348 VanDerWaalsContact C-N 3.27Å; Y1346-D1348 PolarHBondContact O-N 2.62Å; Y1346-W1352 HydrophobicContact CD1-CB 4.06Å; Y1346-W1352 HydrophobicContact CD2-CB 4.18Å; Y1346-W1352 AromaticContact CD2-CD1 3.84Å; Y1346-W1352 HydrophobicContact CD2-CG 4.38Å; Y1346-W1352 HydrophobicContact CE1-CB 4.45Å; Y1346-W1352 AromaticContact CE2-CD1 3.47Å; Y1346-W1352 VanDerWaalsContact CE2-CD1 3.47Å; Y1346-W1352 HydrophobicContact CE2-CG 4.4Å; Y1346-W1352 HydrophobicContact CG-CB 3.91Å; Y1346-W1352 AromaticContact CZ-CD1 3.55Å | ||
| 1347 | E | 88.8 | Confident | 88.6 | Confident | 169 Ų | 169 | 40.8 Ų | 40.8 | 79% | 0.79 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -64.7 | -33.4 | 179.2 | -65 | -178.2 | 170.5 | 0 | 0 | 112.9 | N1342 A1351 | N1342-E1347 VanDerWaalsContact OD1-C 3.31Å; N1342-E1347 PolarHBondContact OD1-O 3.46Å; E1347-A1351 HydrophobicContact CB-CB 4.36Å |
| 1348 | D | 92.6 | Very high | 88.4 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -163.7 | 176.3 | 175.9 | 60.6 | 70.8 | 0 | 0 | 0 | 109.9 | A1341 Y1346 G1350 A1351 W1352 M1615 N1616 | A1341-D1348 VanDerWaalsContact CB-C 3.47Å; Y1346-D1348 VanDerWaalsContact C-N 3.27Å; Y1346-D1348 PolarHBondContact O-N 2.62Å; D1348-G1350 VanDerWaalsContact C-N 3.26Å; D1348-G1350 PolarHBondContact O-N 2.95Å; D1348-G1350 WeakPolarHBondContact OD1-CA 3.39Å; D1348-G1350 PolarHBondContact OD1-N 2.86Å; D1348-A1351 PolarHBondContact O-N 3.04Å; D1348-A1351 PolarHBondContact OD1-N 3.06Å; D1348-W1352 PolarHBondContact O-N 3.38Å; D1348-M1615 HydrophobicContact CB-CB 4.25Å; D1348-M1615 WeakPolarHBondContact CB-O 3.4Å; D1348-N1616 VanDerWaalsContact OD2-CB 3.3Å; D1348-N1616 WeakPolarHBondContact OD2-CB 3.36Å |
| 1349 | A | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67 | -25.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1337 N1338 A1341 W1352 W1353 M1615 | F1337-A1349 HydrophobicContact CB-CB 4.17Å; F1337-A1349 HydrophobicContact CD1-CB 3.36Å; F1337-A1349 HydrophobicContact CD2-CB 3.9Å; F1337-A1349 HydrophobicContact CE1-CB 3.62Å; F1337-A1349 HydrophobicContact CE2-CB 4.17Å; F1337-A1349 HydrophobicContact CG-CB 3.48Å; F1337-A1349 VanDerWaalsContact CG-CB 3.48Å; F1337-A1349 HydrophobicContact CZ-CB 4.01Å; N1338-A1349 WeakPolarHBondContact OD1-CB 3.23Å; N1338-A1349 PolarHBondContact OD1-N 3.49Å; A1341-A1349 HydrophobicContact CB-CB 4.13Å; A1349-W1352 WeakPolarHBondContact O-CB 3.31Å; A1349-W1352 PolarHBondContact O-N 3.28Å; A1349-W1353 PolarHBondContact O-N 3.45Å; A1349-W1353 VanDerWaalsContact O-N 3.14Å; A1349-M1615 HydrophobicContact CB-CG 4.29Å; A1349-M1615 HydrophobicContact CB-SD 3.92Å |
| 1350 | G | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1348 W1352 W1353 Q1354 M1615 | D1348-G1350 VanDerWaalsContact C-N 3.26Å; D1348-G1350 PolarHBondContact O-N 2.95Å; D1348-G1350 WeakPolarHBondContact OD1-CA 3.39Å; D1348-G1350 PolarHBondContact OD1-N 2.86Å; G1350-W1352 PolarHBondContact O-N 3.31Å; G1350-W1353 PolarHBondContact O-N 2.86Å; G1350-W1353 VanDerWaalsContact O-N 3.11Å; G1350-Q1354 VanDerWaalsContact O-CG 3.29Å; G1350-Q1354 WeakPolarHBondContact O-CG 3.29Å; G1350-Q1354 PolarHBondContact O-N 3.43Å; G1350-M1615 PolarHBondContact N-SD 3.36Å; G1350-M1615 VanDerWaalsContact N-SD 3.36Å |
| 1351 | A | 90.1 | Very high | 87.7 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -37.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1347 D1348 Q1354 S1355 | E1347-A1351 HydrophobicContact CB-CB 4.36Å; D1348-A1351 PolarHBondContact O-N 3.04Å; D1348-A1351 PolarHBondContact OD1-N 3.06Å; A1351-Q1354 PolarHBondContact O-N 3.32Å; A1351-S1355 PolarHBondContact O-N 3.21Å; A1351-S1355 VanDerWaalsContact O-N 3.11Å |
| 1352 | W | 89.6 | Confident | 87.8 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 172.4 | 178.5 | 72 | 0 | 0 | 0 | 112.5 | L1248 F1337 Y1346 D1348 A1349 G1350 Q1354 S1355 F1356 | L1248-W1352 HydrophobicContact CD1-CD2 3.6Å; L1248-W1352 HydrophobicContact CD1-CE3 3.45Å; L1248-W1352 VanDerWaalsContact CD1-CE3 3.45Å; L1248-W1352 HydrophobicContact CD1-CG 4.31Å; L1248-W1352 HydrophobicContact CD1-CH2 3.81Å; L1248-W1352 HydrophobicContact CD1-CZ2 3.92Å; L1248-W1352 HydrophobicContact CD1-CZ3 3.56Å; L1248-W1352 HydrophobicContact CD2-CD2 4.29Å; L1248-W1352 HydrophobicContact CD2-CG 4.2Å; L1248-W1352 HydrophobicContact CG-CD2 3.83Å; L1248-W1352 HydrophobicContact CG-CE3 4.21Å; L1248-W1352 HydrophobicContact CG-CG 4.24Å; L1248-W1352 HydrophobicContact CG-CH2 4.35Å; L1248-W1352 HydrophobicContact CG-CZ2 3.96Å; L1248-W1352 HydrophobicContact CG-CZ3 4.45Å; F1337-W1352 HydrophobicContact CE2-CE3 4.29Å; F1337-W1352 HydrophobicContact CE2-CZ3 4.21Å; F1337-W1352 HydrophobicContact CZ-CE3 4.14Å; F1337-W1352 HydrophobicContact CZ-CZ3 4.05Å; Y1346-W1352 HydrophobicContact CD1-CB 4.06Å; Y1346-W1352 HydrophobicContact CD2-CB 4.18Å; Y1346-W1352 AromaticContact CD2-CD1 3.84Å; Y1346-W1352 HydrophobicContact CD2-CG 4.38Å; Y1346-W1352 HydrophobicContact CE1-CB 4.45Å; Y1346-W1352 AromaticContact CE2-CD1 3.47Å; Y1346-W1352 VanDerWaalsContact CE2-CD1 3.47Å; Y1346-W1352 HydrophobicContact CE2-CG 4.4Å; Y1346-W1352 HydrophobicContact CG-CB 3.91Å; Y1346-W1352 AromaticContact CZ-CD1 3.55Å; D1348-W1352 PolarHBondContact O-N 3.38Å; A1349-W1352 WeakPolarHBondContact O-CB 3.31Å; A1349-W1352 PolarHBondContact O-N 3.28Å; G1350-W1352 PolarHBondContact O-N 3.31Å; W1352-Q1354 PolarHBondContact O-N 2.85Å; W1352-S1355 WeakPolarHBondContact O-CB 3.23Å; W1352-S1355 PolarHBondContact O-N 3.11Å; W1352-S1355 PolarHBondContact O-OG 3.39Å; W1352-F1356 HydrophobicContact CD2-CE2 4.2Å; W1352-F1356 HydrophobicContact CD2-CZ 4.34Å; W1352-F1356 AromaticContact CE2-CZ 3.71Å; W1352-F1356 HydrophobicContact CE3-CE2 4.27Å; W1352-F1356 HydrophobicContact CH2-CE2 4.04Å; W1352-F1356 AromaticContact CH2-CZ 3.89Å; W1352-F1356 HydrophobicContact CH2-CZ 3.89Å; W1352-F1356 AromaticContact CZ2-CE2 3.98Å; W1352-F1356 HydrophobicContact CZ2-CE2 3.98Å; W1352-F1356 AromaticContact CZ2-CZ 3.48Å; W1352-F1356 HydrophobicContact CZ2-CZ 3.48Å; W1352-F1356 VanDerWaalsContact CZ2-CZ 3.48Å; W1352-F1356 HydrophobicContact CZ3-CE2 4.19Å; W1352-F1356 HydrophobicContact CZ3-CZ 4.48Å |
| 1353 | W | 90.8 | Very high | 87.9 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.045 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.3 | -76.9 | -9.7 | 0 | 0 | 0 | 113.6 | F1337 A1349 G1350 S1355 F1356 R1611 W1612 M1615 N1660 P1662 | F1337-W1353 AromaticContact CE1-CE2 3.9Å; F1337-W1353 HydrophobicContact CE1-CH2 4.02Å; F1337-W1353 AromaticContact CE1-CZ2 3.45Å; F1337-W1353 HydrophobicContact CE1-CZ2 3.45Å; F1337-W1353 VanDerWaalsContact CE1-CZ2 3.45Å; F1337-W1353 AromaticContact CZ-CE2 3.85Å; F1337-W1353 AromaticContact CZ-CZ2 3.75Å; F1337-W1353 HydrophobicContact CZ-CZ2 3.75Å; F1337-W1353 AromaticContact CZ-NE1 3.68Å; A1349-W1353 PolarHBondContact O-N 3.45Å; A1349-W1353 VanDerWaalsContact O-N 3.14Å; G1350-W1353 PolarHBondContact O-N 2.86Å; G1350-W1353 VanDerWaalsContact O-N 3.11Å; W1353-S1355 PolarHBondContact O-N 3.04Å; W1353-F1356 VanDerWaalsContact O-CD2 3.24Å; W1353-F1356 WeakPolarHBondContact O-CD2 3.25Å; W1353-F1356 PolarHBondContact O-N 3.14Å; W1353-R1611 HydrophobicContact CZ3-CB 4.48Å; W1353-R1611 VanDerWaalsContact CZ3-CZ 3.43Å; W1353-W1612 AromaticContact CE3-NE1 3.81Å; W1353-M1615 HydrophobicContact CH2-CE 3.62Å; W1353-M1615 HydrophobicContact CZ2-CE 4.42Å; W1353-M1615 HydrophobicContact CZ3-CE 3.81Å; W1353-M1615 HydrophobicContact CZ3-SD 4.36Å; W1353-N1660 WeakPolarHBondContact CH2-OD1 3.41Å; W1353-N1660 WeakPolarHBondContact CZ2-OD1 3.43Å; W1353-P1662 HydrophobicContact CD2-CB 4.27Å; W1353-P1662 HydrophobicContact CD2-CG 3.79Å; W1353-P1662 HydrophobicContact CE3-CB 4.23Å; W1353-P1662 HydrophobicContact CE3-CG 4.16Å; W1353-P1662 HydrophobicContact CG-CG 4.2Å; W1353-P1662 HydrophobicContact CZ2-CG 4.14Å |
| 1354 | Q | 90.8 | Very high | 88.2 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 16% | 0.159 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -30 | 179.8 | -66.2 | 173.8 | 39.3 | 0 | 0 | 111.3 | G1350 A1351 W1352 F1356 Y1357 L1362 W1612 | G1350-Q1354 VanDerWaalsContact O-CG 3.29Å; G1350-Q1354 WeakPolarHBondContact O-CG 3.29Å; G1350-Q1354 PolarHBondContact O-N 3.43Å; A1351-Q1354 PolarHBondContact O-N 3.32Å; W1352-Q1354 PolarHBondContact O-N 2.85Å; Q1354-F1356 PolarHBondContact O-N 2.7Å; Q1354-Y1357 PolarHBondContact O-N 3.38Å; Q1354-L1362 HydrophobicContact CB-CD2 4.03Å; Q1354-L1362 HydrophobicContact CG-CD2 3.91Å; Q1354-W1612 HydrophobicContact CG-CH2 4.33Å; Q1354-W1612 HydrophobicContact CG-CZ2 3.9Å |
| 1355 | S | 88.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 51 Ų | 51 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -62.6 | -15.1 | 178.9 | 82.7 | 0 | 0 | 0 | 0 | 115.1 | K1245 A1351 W1352 W1353 Y1357 | K1245-S1355 WeakPolarHBondContact CE-OG 3.38Å; K1245-S1355 PolarHBondContact NZ-O 3.01Å; K1245-S1355 PolarHBondContact NZ-OG 3.4Å; A1351-S1355 PolarHBondContact O-N 3.21Å; A1351-S1355 VanDerWaalsContact O-N 3.11Å; W1352-S1355 WeakPolarHBondContact O-CB 3.23Å; W1352-S1355 PolarHBondContact O-N 3.11Å; W1352-S1355 PolarHBondContact O-OG 3.39Å; W1353-S1355 PolarHBondContact O-N 3.04Å; S1355-Y1357 PolarHBondContact O-N 2.71Å |
| 1356 | F | 88.4 | Confident | 89.3 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -73.8 | -15.6 | 174.4 | -65.6 | -62.2 | 0 | 0 | 0 | 113.6 | W1352 W1353 Q1354 P1538 | W1352-F1356 HydrophobicContact CD2-CE2 4.2Å; W1352-F1356 HydrophobicContact CD2-CZ 4.34Å; W1352-F1356 AromaticContact CE2-CZ 3.71Å; W1352-F1356 HydrophobicContact CE3-CE2 4.27Å; W1352-F1356 HydrophobicContact CH2-CE2 4.04Å; W1352-F1356 AromaticContact CH2-CZ 3.89Å; W1352-F1356 HydrophobicContact CH2-CZ 3.89Å; W1352-F1356 AromaticContact CZ2-CE2 3.98Å; W1352-F1356 HydrophobicContact CZ2-CE2 3.98Å; W1352-F1356 AromaticContact CZ2-CZ 3.48Å; W1352-F1356 HydrophobicContact CZ2-CZ 3.48Å; W1352-F1356 VanDerWaalsContact CZ2-CZ 3.48Å; W1352-F1356 HydrophobicContact CZ3-CE2 4.19Å; W1352-F1356 HydrophobicContact CZ3-CZ 4.48Å; W1353-F1356 VanDerWaalsContact O-CD2 3.24Å; W1353-F1356 WeakPolarHBondContact O-CD2 3.25Å; W1353-F1356 PolarHBondContact O-N 3.14Å; Q1354-F1356 PolarHBondContact O-N 2.7Å; F1356-P1538 HydrophobicContact CB-CG 3.76Å; F1356-P1538 HydrophobicContact CG-CG 4.46Å |
| 1357 | Y | 90 | Very high | 89.4 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -91.5 | -4.9 | 178.9 | -68.1 | -94.2 | 0 | 0 | 0 | 112.9 | Q1354 S1355 E1359 L1362 N1537 P1538 A1539 I1664 Q1665 F1668 W1717 | Q1354-Y1357 PolarHBondContact O-N 3.38Å; S1355-Y1357 PolarHBondContact O-N 2.71Å; Y1357-E1359 PolarHBondContact O-N 3.1Å; Y1357-L1362 HydrophobicContact CD1-CD1 3.98Å; Y1357-L1362 HydrophobicContact CD2-CD1 4.4Å; Y1357-L1362 HydrophobicContact CD2-CD2 3.64Å; Y1357-L1362 HydrophobicContact CE2-CD2 4.26Å; Y1357-L1362 HydrophobicContact CG-CD1 3.74Å; Y1357-L1362 HydrophobicContact CG-CD2 3.85Å; Y1357-L1362 HydrophobicContact CG-CG 4.48Å; Y1357-N1537 HydrophobicContact CD1-CB 4.21Å; Y1357-P1538 HydrophobicContact CE2-CG 4.34Å; Y1357-A1539 HydrophobicContact CE1-CB 4.17Å; Y1357-I1664 HydrophobicContact CE2-CG2 3.76Å; Y1357-I1664 WeakPolarHBondContact OH-CG2 3.46Å; Y1357-Q1665 WeakPolarHBondContact OH-CA 3.29Å; Y1357-Q1665 WeakPolarHBondContact OH-CB 3.14Å; Y1357-Q1665 PolarHBondContact OH-N 3.21Å; Y1357-F1668 HydrophobicContact CD1-CD2 4.33Å; Y1357-F1668 AromaticContact CE1-CD2 3.84Å; Y1357-F1668 HydrophobicContact CE1-CD2 3.84Å; Y1357-F1668 HydrophobicContact CE1-CE2 4.44Å; Y1357-F1668 HydrophobicContact CE1-CG 4.4Å; Y1357-W1717 PolarHBondContact O-NE1 3.49Å |
| 1358 | E | 87.9 | Confident | 89.6 | Confident | 80 Ų | 80 | 44.7 Ų | 44.7 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 31.1 | -178.3 | -61.1 | 179.7 | -166.2 | 0 | 0 | 112.9 | R1238 R1242 | R1238-E1358 IonicContact CZ-OE1 3.73Å; R1238-E1358 IonicContact CZ-OE2 2.78Å; R1238-E1358 IonicContact NH1-OE1 2.64Å; R1238-E1358 PolarHBondContact NH1-OE1 3.12Å; R1238-E1358 IonicContact NH1-OE2 3.78Å; R1238-E1358 PolarHBondContact NH1-OE2 3.49Å; R1238-E1358 VanDerWaalsContact NH2-CD 3.32Å; R1238-E1358 IonicContact NH2-OE1 2.72Å; R1238-E1358 PolarHBondContact NH2-OE1 3.23Å; R1238-E1358 IonicContact NH2-OE2 3.07Å; R1238-E1358 PolarHBondContact NH2-OE2 3.33Å; R1242-E1358 IonicContact CZ-OE1 3.15Å; R1242-E1358 IonicContact NE-OE1 3.9Å; R1242-E1358 PolarHBondContact NE-OE1 3.02Å; R1242-E1358 IonicContact NH2-OE1 3.61Å; R1242-E1358 PolarHBondContact NH2-OE1 3.4Å |
| 1359 | E | 86.6 | Confident | 89.6 | Confident | 66 Ų | 66 | 44.5 Ų | 44.5 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | trans | -126.8 | 122.1 | -175.1 | -177 | 53.8 | -115.1 | 0 | 0 | 109.2 | Y1357 N1361 L1362 M1365 | Y1357-E1359 PolarHBondContact O-N 3.1Å; E1359-N1361 VanDerWaalsContact C-N 3.32Å; E1359-N1361 PolarHBondContact O-N 3.32Å; E1359-L1362 HydrophobicContact CB-CD1 4.33Å; E1359-M1365 HydrophobicContact CG-CE 4.27Å | ||
| 1360 | S | 81.7 | Confident | 89.8 | Confident | 107 Ų | 107 | 44.5 Ų | 44.5 | 75% | 0.748 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -28.5 | -176.5 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1361 | N | 85.9 | Confident | 89.8 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 41.3 | -175.4 | -66.2 | 4.6 | 0 | 0 | 0 | 112.3 | E1359 N1363 E1364 M1365 | E1359-N1361 VanDerWaalsContact C-N 3.32Å; E1359-N1361 PolarHBondContact O-N 3.32Å; N1361-N1363 PolarHBondContact O-N 3.17Å; N1361-N1363 VanDerWaalsContact O-N 3.16Å; N1361-E1364 HydrophobicContact CB-CB 4.23Å; N1361-E1364 PolarHBondContact ND2-OE2 3.03Å; N1361-E1364 PolarHBondContact O-N 3.34Å; N1361-M1365 PolarHBondContact O-N 3.4Å |
| 1362 | L | 90.5 | Very high | 90 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.8 | -38 | -176 | -168.2 | 71.1 | 0 | 0 | 0 | 113.1 | Q1354 Y1357 E1359 M1365 S1366 W1612 F1668 | Q1354-L1362 HydrophobicContact CB-CD2 4.03Å; Q1354-L1362 HydrophobicContact CG-CD2 3.91Å; Y1357-L1362 HydrophobicContact CD1-CD1 3.98Å; Y1357-L1362 HydrophobicContact CD2-CD1 4.4Å; Y1357-L1362 HydrophobicContact CD2-CD2 3.64Å; Y1357-L1362 HydrophobicContact CE2-CD2 4.26Å; Y1357-L1362 HydrophobicContact CG-CD1 3.74Å; Y1357-L1362 HydrophobicContact CG-CD2 3.85Å; Y1357-L1362 HydrophobicContact CG-CG 4.48Å; E1359-L1362 HydrophobicContact CB-CD1 4.33Å; L1362-M1365 HydrophobicContact CD1-CE 3.67Å; L1362-M1365 PolarHBondContact O-N 3.42Å; L1362-S1366 WeakPolarHBondContact O-CB 3.29Å; L1362-S1366 PolarHBondContact O-N 3.03Å; L1362-S1366 PolarHBondContact O-OG 3.23Å; L1362-W1612 HydrophobicContact CD2-CH2 4.23Å; L1362-F1668 HydrophobicContact CD1-CE2 3.63Å; L1362-F1668 HydrophobicContact CD1-CZ 3.64Å; L1362-F1668 HydrophobicContact CG-CE2 4.13Å; L1362-F1668 HydrophobicContact CG-CZ 4.31Å |
| 1363 | N | 88.2 | Confident | 90.2 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.9 | -73.2 | -28.7 | 0 | 0 | 0 | 112.2 | N1361 S1366 E1367 W1612 | N1361-N1363 PolarHBondContact O-N 3.17Å; N1361-N1363 VanDerWaalsContact O-N 3.16Å; N1363-S1366 PolarHBondContact O-N 3.01Å; N1363-E1367 WeakPolarHBondContact O-CB 3.37Å; N1363-E1367 PolarHBondContact O-N 2.99Å; N1363-W1612 VanDerWaalsContact OD1-CE3 3.25Å; N1363-W1612 WeakPolarHBondContact OD1-CZ3 3.36Å |
| 1364 | E | 88.3 | Confident | 90.4 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.3 | -42 | 179.7 | -169.6 | -179.8 | -177.3 | 0 | 0 | 110.9 | N1361 S1366 E1367 Q1368 | N1361-E1364 HydrophobicContact CB-CB 4.23Å; N1361-E1364 PolarHBondContact ND2-OE2 3.03Å; N1361-E1364 PolarHBondContact O-N 3.34Å; E1364-S1366 VanDerWaalsContact C-N 3.3Å; E1364-S1366 PolarHBondContact O-N 3.44Å; E1364-E1367 PolarHBondContact O-N 2.76Å; E1364-Q1368 WeakPolarHBondContact O-CB 3.34Å; E1364-Q1368 VanDerWaalsContact O-CG 3.29Å; E1364-Q1368 WeakPolarHBondContact O-CG 3.32Å; E1364-Q1368 PolarHBondContact O-N 3.13Å; E1364-Q1368 PolarHBondContact OE1-NE2 2.87Å |
| 1365 | M | 91.8 | Very high | 90.5 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 174.1 | -174.5 | 170.1 | 73.4 | 0 | 0 | 111.5 | E1359 N1361 L1362 Q1368 L1369 F1668 | E1359-M1365 HydrophobicContact CG-CE 4.27Å; N1361-M1365 PolarHBondContact O-N 3.4Å; L1362-M1365 HydrophobicContact CD1-CE 3.67Å; L1362-M1365 PolarHBondContact O-N 3.42Å; M1365-Q1368 PolarHBondContact O-N 3.34Å; M1365-L1369 HydrophobicContact CG-CD1 4.3Å; M1365-L1369 WeakPolarHBondContact O-CB 3.39Å; M1365-L1369 VanDerWaalsContact O-CG 3.32Å; M1365-L1369 WeakPolarHBondContact O-CG 3.49Å; M1365-L1369 PolarHBondContact O-N 3.03Å; M1365-F1668 HydrophobicContact CE-CD1 4.18Å; M1365-F1668 HydrophobicContact CE-CE1 3.23Å; M1365-F1668 HydrophobicContact CE-CE2 4.46Å; M1365-F1668 HydrophobicContact CE-CZ 3.42Å; M1365-F1668 VanDerWaalsContact CE-CZ 3.42Å; M1365-F1668 HydrophobicContact CG-CE1 4.16Å; M1365-F1668 HydrophobicContact CG-CZ 4.44Å; M1365-F1668 HydrophobicContact SD-CE1 4.27Å |
| 1366 | S | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | L1362 N1363 E1364 L1369 W1370 F1668 | L1362-S1366 WeakPolarHBondContact O-CB 3.29Å; L1362-S1366 PolarHBondContact O-N 3.03Å; L1362-S1366 PolarHBondContact O-OG 3.23Å; N1363-S1366 PolarHBondContact O-N 3.01Å; E1364-S1366 VanDerWaalsContact C-N 3.3Å; E1364-S1366 PolarHBondContact O-N 3.44Å; S1366-L1369 PolarHBondContact O-N 3.46Å; S1366-W1370 WeakPolarHBondContact O-CB 3.26Å; S1366-W1370 PolarHBondContact O-N 3.38Å; S1366-F1668 WeakPolarHBondContact OG-CZ 3.49Å |
| 1367 | E | 91.4 | Very high | 91.1 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 178.3 | -175 | 74.8 | -166.6 | 0 | 0 | 111.2 | N1363 E1364 W1370 K1371 Y1605 Y1635 | N1363-E1367 WeakPolarHBondContact O-CB 3.37Å; N1363-E1367 PolarHBondContact O-N 2.99Å; E1364-E1367 PolarHBondContact O-N 2.76Å; E1367-W1370 PolarHBondContact O-N 3.41Å; E1367-K1371 HydrophobicContact CG-CD 4.41Å; E1367-K1371 WeakPolarHBondContact O-CB 3.45Å; E1367-K1371 VanDerWaalsContact O-CG 3.25Å; E1367-K1371 WeakPolarHBondContact O-CG 3.37Å; E1367-K1371 PolarHBondContact O-N 2.58Å; E1367-K1371 VanDerWaalsContact OE1-CE 3.31Å; E1367-K1371 WeakPolarHBondContact OE1-CE 3.28Å; E1367-K1371 IonicContact OE1-NZ 3.2Å; E1367-Y1605 PolarHBondContact OE2-OH 3.27Å; E1367-Y1605 VanDerWaalsContact OE2-OH 3.11Å; E1367-Y1635 PolarHBondContact OE2-OH 3.12Å |
| 1368 | Q | 91.6 | Very high | 91.3 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 176.5 | -73.2 | 177.5 | 3.4 | 0 | 0 | 112.5 | E1364 M1365 K1371 T1372 | E1364-Q1368 WeakPolarHBondContact O-CB 3.34Å; E1364-Q1368 VanDerWaalsContact O-CG 3.29Å; E1364-Q1368 WeakPolarHBondContact O-CG 3.32Å; E1364-Q1368 PolarHBondContact O-N 3.13Å; E1364-Q1368 PolarHBondContact OE1-NE2 2.87Å; M1365-Q1368 PolarHBondContact O-N 3.34Å; Q1368-K1371 PolarHBondContact O-N 3.02Å; Q1368-T1372 PolarHBondContact O-N 3.31Å; Q1368-T1372 VanDerWaalsContact O-N 3.1Å; Q1368-T1372 PolarHBondContact O-OG1 2.72Å |
| 1369 | L | 94.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.4 | -75.2 | 172.5 | 0 | 0 | 0 | 111.3 | M1365 S1366 T1372 I1373 F1667 F1668 I1671 V1730 A1732 | M1365-L1369 HydrophobicContact CG-CD1 4.3Å; M1365-L1369 WeakPolarHBondContact O-CB 3.39Å; M1365-L1369 VanDerWaalsContact O-CG 3.32Å; M1365-L1369 WeakPolarHBondContact O-CG 3.49Å; M1365-L1369 PolarHBondContact O-N 3.03Å; S1366-L1369 PolarHBondContact O-N 3.46Å; L1369-T1372 WeakPolarHBondContact O-CB 3.38Å; L1369-T1372 PolarHBondContact O-N 2.78Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.28Å; L1369-I1373 PolarHBondContact O-N 3.05Å; L1369-F1667 HydrophobicContact CB-CE1 4.1Å; L1369-F1667 HydrophobicContact CB-CZ 3.99Å; L1369-F1667 HydrophobicContact CD1-CE1 4.3Å; L1369-F1668 HydrophobicContact CD1-CD1 3.9Å; L1369-F1668 HydrophobicContact CD1-CE1 3.46Å; L1369-F1668 VanDerWaalsContact CD1-CE1 3.46Å; L1369-F1668 HydrophobicContact CD1-CZ 4.42Å; L1369-I1671 HydrophobicContact CB-CD1 4.04Å; L1369-I1671 HydrophobicContact CD1-CD1 4.13Å; L1369-I1671 HydrophobicContact CD2-CG2 4.37Å; L1369-I1671 HydrophobicContact CG-CD1 4.5Å; L1369-V1730 HydrophobicContact CD1-CB 4.23Å; L1369-V1730 HydrophobicContact CD1-CG1 3.79Å; L1369-V1730 HydrophobicContact CD2-CG1 4.15Å; L1369-A1732 HydrophobicContact CD2-CB 4.44Å |
| 1370 | W | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.5 | 175 | -115.2 | 0 | 0 | 0 | 111.9 | S1366 E1367 T1372 I1373 L1374 Y1377 P1602 Y1605 Y1635 F1667 W1763 | S1366-W1370 WeakPolarHBondContact O-CB 3.26Å; S1366-W1370 PolarHBondContact O-N 3.38Å; E1367-W1370 PolarHBondContact O-N 3.41Å; W1370-T1372 PolarHBondContact O-N 2.9Å; W1370-I1373 HydrophobicContact CE3-CB 4.44Å; W1370-I1373 HydrophobicContact CZ3-CG2 4.21Å; W1370-I1373 CarbonylContact O-C 3.56Å; W1370-I1373 PolarHBondContact O-N 2.89Å; W1370-L1374 HydrophobicContact CH2-CD1 4.46Å; W1370-L1374 HydrophobicContact CZ2-CB 4.48Å; W1370-L1374 HydrophobicContact CZ2-CD1 3.64Å; W1370-L1374 WeakPolarHBondContact O-CB 3.47Å; W1370-L1374 PolarHBondContact O-N 3.11Å; W1370-Y1377 HydrophobicContact CH2-CD1 4.05Å; W1370-Y1377 AromaticContact CH2-CD2 3.82Å; W1370-Y1377 HydrophobicContact CH2-CD2 3.82Å; W1370-Y1377 HydrophobicContact CH2-CE2 4.46Å; W1370-Y1377 AromaticContact CH2-CG 3.6Å; W1370-Y1377 HydrophobicContact CH2-CG 3.6Å; W1370-Y1377 HydrophobicContact CZ2-CD1 4.4Å; W1370-Y1377 HydrophobicContact CZ2-CG 4.37Å; W1370-Y1377 HydrophobicContact CZ3-CD2 4.5Å; W1370-P1602 HydrophobicContact CE3-CB 4.16Å; W1370-P1602 HydrophobicContact CH2-CB 3.43Å; W1370-P1602 VanDerWaalsContact CH2-CB 3.43Å; W1370-P1602 HydrophobicContact CH2-CG 3.56Å; W1370-P1602 HydrophobicContact CZ2-CB 3.86Å; W1370-P1602 HydrophobicContact CZ2-CG 4.39Å; W1370-P1602 HydrophobicContact CZ3-CB 3.61Å; W1370-P1602 HydrophobicContact CZ3-CG 3.76Å; W1370-Y1605 HydrophobicContact CB-CD1 4.24Å; W1370-Y1605 HydrophobicContact CB-CE1 4.21Å; W1370-Y1605 HydrophobicContact CG-CD1 4.34Å; W1370-Y1605 HydrophobicContact CG-CE1 4.46Å; W1370-Y1635 AromaticContact CD1-CD1 3.52Å; W1370-Y1635 AromaticContact CD1-CE1 3.67Å; W1370-Y1635 HydrophobicContact CG-CD1 4.25Å; W1370-Y1635 HydrophobicContact CG-CE1 4.48Å; W1370-Y1635 WeakPolarHBondContact CZ2-O 3.28Å; W1370-Y1635 AromaticContact NE1-CD1 3.39Å; W1370-Y1635 AromaticContact NE1-CE1 3.97Å; W1370-F1667 HydrophobicContact CB-CZ 4.28Å; W1370-W1763 AromaticContact NE1-CH2 3.67Å; W1370-W1763 AromaticContact NE1-CZ2 3.86Å |
| 1371 | K | 92 | Very high | 92.4 | Very high | 59 Ų | 59 | 29.5 Ų | 29.5 | 26% | 0.257 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.6 | -31.7 | 176.6 | -73.8 | 177.2 | 177 | -179.3 | 0 | 113 | E1367 Q1368 I1373 P1375 V1766 | E1367-K1371 HydrophobicContact CG-CD 4.41Å; E1367-K1371 WeakPolarHBondContact O-CB 3.45Å; E1367-K1371 VanDerWaalsContact O-CG 3.25Å; E1367-K1371 WeakPolarHBondContact O-CG 3.37Å; E1367-K1371 PolarHBondContact O-N 2.58Å; E1367-K1371 VanDerWaalsContact OE1-CE 3.31Å; E1367-K1371 WeakPolarHBondContact OE1-CE 3.28Å; E1367-K1371 IonicContact OE1-NZ 3.2Å; Q1368-K1371 PolarHBondContact O-N 3.02Å; K1371-I1373 VanDerWaalsContact C-N 3.34Å; K1371-P1375 WeakPolarHBondContact O-CD 3.45Å; K1371-V1766 HydrophobicContact CB-CG2 4.08Å; K1371-V1766 HydrophobicContact CD-CG2 3.99Å; K1371-V1766 HydrophobicContact CG-CG2 3.71Å |
| 1372 | T | 93.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 25.4 Ų | 25.4 | 44% | 0.436 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -69.8 | -31.9 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | Q1368 L1369 W1370 A1732 L1736 | Q1368-T1372 PolarHBondContact O-N 3.31Å; Q1368-T1372 VanDerWaalsContact O-N 3.1Å; Q1368-T1372 PolarHBondContact O-OG1 2.72Å; L1369-T1372 WeakPolarHBondContact O-CB 3.38Å; L1369-T1372 PolarHBondContact O-N 2.78Å; W1370-T1372 PolarHBondContact O-N 2.9Å; T1372-A1732 HydrophobicContact CG2-CB 4.06Å; T1372-L1736 HydrophobicContact CG2-CD1 4.15Å |
| 1373 | I | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -91 | -26.2 | -177.1 | -62.2 | 167.7 | 0 | 0 | 0 | 111.7 | L1369 W1370 K1371 P1375 F1376 Y1377 L1601 I1671 A1732 M1735 | L1369-I1373 WeakPolarHBondContact O-CG1 3.28Å; L1369-I1373 PolarHBondContact O-N 3.05Å; W1370-I1373 HydrophobicContact CE3-CB 4.44Å; W1370-I1373 HydrophobicContact CZ3-CG2 4.21Å; W1370-I1373 CarbonylContact O-C 3.56Å; W1370-I1373 PolarHBondContact O-N 2.89Å; K1371-I1373 VanDerWaalsContact C-N 3.34Å; I1373-P1375 VanDerWaalsContact C-CD 3.49Å; I1373-F1376 WeakPolarHBondContact O-CB 3.23Å; I1373-F1376 PolarHBondContact O-N 3.01Å; I1373-Y1377 PolarHBondContact O-N 2.95Å; I1373-Y1377 VanDerWaalsContact O-N 3.09Å; I1373-L1601 HydrophobicContact CD1-CD1 4.08Å; I1373-L1601 HydrophobicContact CG2-CD1 4.21Å; I1373-I1671 HydrophobicContact CD1-CD1 3.63Å; I1373-I1671 HydrophobicContact CD1-CG1 3.83Å; I1373-A1732 HydrophobicContact CD1-CB 3.86Å; I1373-A1732 HydrophobicContact CG1-CB 3.64Å; I1373-M1735 HydrophobicContact CD1-SD 4.31Å; I1373-M1735 HydrophobicContact CG2-CE 4.43Å |
| 1374 | L | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -50 | -44.2 | -175 | 177.9 | 65.6 | 0 | 0 | 0 | 114.1 | W1370 F1376 Y1377 E1378 W1763 V1766 L1769 | W1370-L1374 HydrophobicContact CH2-CD1 4.46Å; W1370-L1374 HydrophobicContact CZ2-CB 4.48Å; W1370-L1374 HydrophobicContact CZ2-CD1 3.64Å; W1370-L1374 WeakPolarHBondContact O-CB 3.47Å; W1370-L1374 PolarHBondContact O-N 3.11Å; L1374-F1376 VanDerWaalsContact C-N 3.31Å; L1374-F1376 PolarHBondContact O-N 3.41Å; L1374-Y1377 WeakPolarHBondContact O-CB 3.44Å; L1374-Y1377 PolarHBondContact O-N 2.68Å; L1374-Y1377 VanDerWaalsContact O-N 3.13Å; L1374-E1378 HydrophobicContact CD1-CG 3.94Å; L1374-E1378 HydrophobicContact CG-CG 4.36Å; L1374-E1378 WeakPolarHBondContact O-CG 3.46Å; L1374-E1378 PolarHBondContact O-N 2.88Å; L1374-W1763 HydrophobicContact CD2-CB 4.3Å; L1374-W1763 HydrophobicContact CD2-CD2 3.72Å; L1374-W1763 HydrophobicContact CD2-CE3 4.38Å; L1374-W1763 HydrophobicContact CD2-CG 3.68Å; L1374-W1763 HydrophobicContact CD2-CZ2 4.41Å; L1374-V1766 HydrophobicContact CD2-CG1 4.37Å; L1374-V1766 HydrophobicContact CD2-CG2 4.21Å; L1374-L1769 HydrophobicContact CD2-CD2 3.99Å; L1374-L1769 HydrophobicContact CG-CD2 4.13Å |
| 1375 | P | 93.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 14% | 0.143 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 176.8 | -27.2 | 35.8 | 0 | 0 | 0 | 113.4 | K1371 I1373 I1379 V1766 L1769 | K1371-P1375 WeakPolarHBondContact O-CD 3.45Å; I1373-P1375 VanDerWaalsContact C-CD 3.49Å; P1375-I1379 VanDerWaalsContact O-CD1 3.29Å; P1375-I1379 WeakPolarHBondContact O-CD1 3.34Å; P1375-I1379 VanDerWaalsContact O-CG1 3.27Å; P1375-I1379 WeakPolarHBondContact O-CG1 3.29Å; P1375-I1379 PolarHBondContact O-N 2.94Å; P1375-V1766 HydrophobicContact CG-CG1 4.45Å; P1375-L1769 HydrophobicContact CG-CD2 4.45Å |
| 1376 | F | 94.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 2% | 0.022 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.6 | -43.1 | 175.7 | 173.1 | -149 | 0 | 0 | 0 | 111.5 | I1373 L1374 E1378 I1379 L1380 A1594 V1598 M1735 L1736 F1739 L1742 I1743 L1746 | I1373-F1376 WeakPolarHBondContact O-CB 3.23Å; I1373-F1376 PolarHBondContact O-N 3.01Å; L1374-F1376 VanDerWaalsContact C-N 3.31Å; L1374-F1376 PolarHBondContact O-N 3.41Å; F1376-E1378 VanDerWaalsContact C-N 3.31Å; F1376-E1378 PolarHBondContact O-N 3.16Å; F1376-I1379 PolarHBondContact O-N 3.37Å; F1376-L1380 PolarHBondContact O-N 3.22Å; F1376-A1594 HydrophobicContact CZ-CB 3.92Å; F1376-V1598 HydrophobicContact CD1-CG1 4.41Å; F1376-V1598 HydrophobicContact CD1-CG2 3.97Å; F1376-V1598 HydrophobicContact CE1-CB 4.44Å; F1376-V1598 HydrophobicContact CE1-CG1 4.38Å; F1376-V1598 HydrophobicContact CE1-CG2 3.23Å; F1376-V1598 HydrophobicContact CZ-CG2 3.65Å; F1376-M1735 HydrophobicContact CD1-CE 4.3Å; F1376-M1735 HydrophobicContact CE1-CE 4.13Å; F1376-L1736 HydrophobicContact CB-CD2 3.95Å; F1376-L1736 HydrophobicContact CD1-CD2 4.16Å; F1376-L1736 HydrophobicContact CG-CD2 4.43Å; F1376-F1739 HydrophobicContact CE1-CB 3.79Å; F1376-F1739 HydrophobicContact CE1-CD1 4.5Å; F1376-F1739 AromaticContact CE1-CD2 3.6Å; F1376-F1739 HydrophobicContact CE1-CD2 3.6Å; F1376-F1739 HydrophobicContact CE1-CE2 4.3Å; F1376-F1739 AromaticContact CE1-CG 3.72Å; F1376-F1739 HydrophobicContact CE1-CG 3.72Å; F1376-F1739 HydrophobicContact CE2-CB 4.49Å; F1376-F1739 HydrophobicContact CZ-CB 3.69Å; F1376-F1739 HydrophobicContact CZ-CD1 4.15Å; F1376-F1739 HydrophobicContact CZ-CD2 4.07Å; F1376-F1739 AromaticContact CZ-CG 3.72Å; F1376-F1739 HydrophobicContact CZ-CG 3.72Å; F1376-L1742 HydrophobicContact CE2-CD2 4.49Å; F1376-L1742 HydrophobicContact CZ-CD2 4.4Å; F1376-I1743 HydrophobicContact CB-CD1 4.21Å; F1376-I1743 HydrophobicContact CB-CG1 4.47Å; F1376-I1743 HydrophobicContact CD1-CD1 4.26Å; F1376-I1743 HydrophobicContact CD2-CD1 3.95Å; F1376-I1743 HydrophobicContact CD2-CG1 3.41Å; F1376-I1743 VanDerWaalsContact CD2-CG1 3.41Å; F1376-I1743 HydrophobicContact CE2-CD1 4.37Å; F1376-I1743 HydrophobicContact CE2-CG1 3.63Å; F1376-I1743 HydrophobicContact CG-CD1 3.89Å; F1376-I1743 HydrophobicContact CG-CG1 3.9Å; F1376-I1743 HydrophobicContact CZ-CG1 4.27Å; F1376-L1746 HydrophobicContact CE2-CD1 4.18Å |
| 1377 | Y | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 176.9 | -178.8 | -89.9 | 0 | 0 | 0 | 112.2 | W1370 I1373 L1374 L1380 H1381 W1414 V1598 P1602 Q1636 W1759 | W1370-Y1377 HydrophobicContact CH2-CD1 4.05Å; W1370-Y1377 AromaticContact CH2-CD2 3.82Å; W1370-Y1377 HydrophobicContact CH2-CD2 3.82Å; W1370-Y1377 HydrophobicContact CH2-CE2 4.46Å; W1370-Y1377 AromaticContact CH2-CG 3.6Å; W1370-Y1377 HydrophobicContact CH2-CG 3.6Å; W1370-Y1377 HydrophobicContact CZ2-CD1 4.4Å; W1370-Y1377 HydrophobicContact CZ2-CG 4.37Å; W1370-Y1377 HydrophobicContact CZ3-CD2 4.5Å; I1373-Y1377 PolarHBondContact O-N 2.95Å; I1373-Y1377 VanDerWaalsContact O-N 3.09Å; L1374-Y1377 WeakPolarHBondContact O-CB 3.44Å; L1374-Y1377 PolarHBondContact O-N 2.68Å; L1374-Y1377 VanDerWaalsContact O-N 3.13Å; Y1377-L1380 PolarHBondContact O-N 2.5Å; Y1377-H1381 HydrophobicContact CD1-CB 4.45Å; Y1377-H1381 HydrophobicContact CE1-CB 4.19Å; Y1377-H1381 VanDerWaalsContact O-CB 3.25Å; Y1377-H1381 WeakPolarHBondContact O-CB 3.33Å; Y1377-H1381 PolarHBondContact O-N 2.9Å; Y1377-W1414 AromaticContact CE2-CH2 3.9Å; Y1377-W1414 HydrophobicContact CE2-CH2 3.9Å; Y1377-W1414 HydrophobicContact CE2-CZ2 4.29Å; Y1377-W1414 AromaticContact CZ-CH2 3.77Å; Y1377-W1414 WeakPolarHBondContact OH-CH2 3.47Å; Y1377-W1414 WeakPolarHBondContact OH-CZ2 3.27Å; Y1377-V1598 HydrophobicContact CD2-CG1 3.77Å; Y1377-V1598 HydrophobicContact CG-CG1 4.48Å; Y1377-P1602 HydrophobicContact CD2-CG 4Å; Y1377-P1602 HydrophobicContact CE2-CG 3.64Å; Y1377-Q1636 WeakPolarHBondContact CE1-O 3.49Å; Y1377-Q1636 VanDerWaalsContact OH-CA 3.3Å; Y1377-Q1636 WeakPolarHBondContact OH-CA 3.42Å; Y1377-Q1636 PolarHBondContact OH-O 3.35Å; Y1377-W1759 AromaticContact CD1-CH2 3.83Å; Y1377-W1759 HydrophobicContact CD1-CH2 3.83Å; Y1377-W1759 HydrophobicContact CD1-CZ3 4.09Å; Y1377-W1759 AromaticContact CE1-CH2 3.5Å; Y1377-W1759 HydrophobicContact CE1-CH2 3.5Å; Y1377-W1759 VanDerWaalsContact CE1-CH2 3.5Å; Y1377-W1759 AromaticContact CE1-CZ3 3.7Å; Y1377-W1759 HydrophobicContact CE1-CZ3 3.7Å |
| 1378 | E | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.2 | -34.4 | -179.2 | -72.3 | -176.2 | 151.2 | 0 | 0 | 113.4 | L1374 F1376 H1381 A1382 W1759 L1769 P1770 R1773 | L1374-E1378 HydrophobicContact CD1-CG 3.94Å; L1374-E1378 HydrophobicContact CG-CG 4.36Å; L1374-E1378 WeakPolarHBondContact O-CG 3.46Å; L1374-E1378 PolarHBondContact O-N 2.88Å; F1376-E1378 VanDerWaalsContact C-N 3.31Å; F1376-E1378 PolarHBondContact O-N 3.16Å; E1378-H1381 PolarHBondContact O-N 3.43Å; E1378-A1382 WeakPolarHBondContact O-CB 3.35Å; E1378-A1382 PolarHBondContact O-N 3.1Å; E1378-W1759 HydrophobicContact CG-CZ3 4.31Å; E1378-L1769 WeakPolarHBondContact OE2-CD2 3.5Å; E1378-P1770 HydrophobicContact CB-CG 4.21Å; E1378-R1773 IonicContact OE1-CZ 3.94Å; E1378-R1773 IonicContact OE1-NH1 2.77Å; E1378-R1773 PolarHBondContact OE1-NH1 3.05Å; E1378-R1773 VanDerWaalsContact OE1-NH1 3.15Å; E1378-R1773 IonicContact OE1-NH2 2.94Å; E1378-R1773 PolarHBondContact OE1-NH2 3.26Å; E1378-R1773 IonicContact OE2-CZ 2.97Å; E1378-R1773 IonicContact OE2-NH1 3.6Å; E1378-R1773 PolarHBondContact OE2-NH1 2.97Å; E1378-R1773 IonicContact OE2-NH2 3.74Å |
| 1379 | I | 93.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.015 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 172.5 | -68.6 | 159.4 | 0 | 0 | 0 | 110.1 | P1375 F1376 H1383 I1743 L1746 K1747 Y1757 P1770 | P1375-I1379 VanDerWaalsContact O-CD1 3.29Å; P1375-I1379 WeakPolarHBondContact O-CD1 3.34Å; P1375-I1379 VanDerWaalsContact O-CG1 3.27Å; P1375-I1379 WeakPolarHBondContact O-CG1 3.29Å; P1375-I1379 PolarHBondContact O-N 2.94Å; F1376-I1379 PolarHBondContact O-N 3.37Å; I1379-H1383 PolarHBondContact O-N 3.43Å; I1379-I1743 HydrophobicContact CD1-CG2 4.15Å; I1379-L1746 HydrophobicContact CG2-CB 3.28Å; I1379-L1746 HydrophobicContact CG2-CD1 4.14Å; I1379-L1746 HydrophobicContact CG2-CG 4.32Å; I1379-K1747 HydrophobicContact CD1-CD 4.15Å; I1379-K1747 HydrophobicContact CD1-CG 3.68Å; I1379-K1747 HydrophobicContact CG1-CG 4.17Å; I1379-K1747 HydrophobicContact CG2-CG 4.3Å; I1379-Y1757 HydrophobicContact CB-CE1 4.3Å; I1379-Y1757 HydrophobicContact CG1-CD1 4.17Å; I1379-Y1757 HydrophobicContact CG1-CE1 3.74Å; I1379-P1770 HydrophobicContact CG1-CB 4.18Å; I1379-P1770 HydrophobicContact CG1-CG 4.02Å |
| 1380 | L | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.5 | -176.5 | 64.7 | 0 | 0 | 0 | 111.6 | F1376 Y1377 H1383 V1384 W1414 Y1591 A1594 L1595 V1598 L1746 | F1376-L1380 PolarHBondContact O-N 3.22Å; Y1377-L1380 PolarHBondContact O-N 2.5Å; L1380-H1383 PolarHBondContact O-N 2.68Å; L1380-V1384 HydrophobicContact CD1-CG2 4.41Å; L1380-V1384 WeakPolarHBondContact O-CB 3.41Å; L1380-V1384 WeakPolarHBondContact O-CG2 3.24Å; L1380-V1384 PolarHBondContact O-N 3.26Å; L1380-W1414 HydrophobicContact CD2-CE3 4.4Å; L1380-W1414 HydrophobicContact CD2-CZ3 4.26Å; L1380-W1414 HydrophobicContact CG-CE3 4.47Å; L1380-W1414 HydrophobicContact CG-CZ3 4.16Å; L1380-Y1591 HydrophobicContact CD1-CD2 4.22Å; L1380-Y1591 HydrophobicContact CD1-CE2 3.69Å; L1380-A1594 HydrophobicContact CD2-CB 4.28Å; L1380-L1595 HydrophobicContact CD1-CD2 3.91Å; L1380-L1595 HydrophobicContact CD2-CD2 4.43Å; L1380-L1595 HydrophobicContact CG-CD2 4.37Å; L1380-V1598 HydrophobicContact CD2-CB 3.77Å; L1380-V1598 HydrophobicContact CD2-CG1 3.87Å; L1380-V1598 HydrophobicContact CD2-CG2 4.34Å; L1380-L1746 HydrophobicContact CB-CD1 4.37Å; L1380-L1746 HydrophobicContact CD1-CD1 3.92Å |
| 1381 | H | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 178.6 | 179.7 | -79.6 | 0 | 0 | 0 | 112 | Y1377 E1378 H1383 V1384 R1385 S1399 I1401 W1414 Q1636 G1637 W1759 | Y1377-H1381 HydrophobicContact CD1-CB 4.45Å; Y1377-H1381 HydrophobicContact CE1-CB 4.19Å; Y1377-H1381 VanDerWaalsContact O-CB 3.25Å; Y1377-H1381 WeakPolarHBondContact O-CB 3.33Å; Y1377-H1381 PolarHBondContact O-N 2.9Å; E1378-H1381 PolarHBondContact O-N 3.43Å; H1381-H1383 VanDerWaalsContact C-N 3.34Å; H1381-H1383 PolarHBondContact O-N 3.46Å; H1381-V1384 PolarHBondContact O-N 3.29Å; H1381-R1385 VanDerWaalsContact O-CB 3.23Å; H1381-R1385 WeakPolarHBondContact O-CB 3.43Å; H1381-R1385 PolarHBondContact O-N 3.47Å; H1381-S1399 PolarHBondContact CE1-O 3.35Å; H1381-I1401 WeakPolarHBondContact NE2-CD1 3.38Å; H1381-W1414 HydrophobicContact CB-CH2 4.44Å; H1381-Q1636 PolarHBondContact CD2-O 3.31Å; H1381-G1637 PolarHBondContact NE2-O 2.89Å; H1381-W1759 AromaticContact CE1-CE3 3.97Å |
| 1382 | A | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1378 R1385 H1386 V1750 Y1757 | E1378-A1382 WeakPolarHBondContact O-CB 3.35Å; E1378-A1382 PolarHBondContact O-N 3.1Å; A1382-R1385 PolarHBondContact O-N 2.92Å; A1382-H1386 WeakPolarHBondContact O-CB 3.25Å; A1382-H1386 PolarHBondContact O-N 3.22Å; A1382-V1750 HydrophobicContact CB-CG1 3.85Å; A1382-V1750 HydrophobicContact CB-CG2 4.16Å; A1382-Y1757 HydrophobicContact CB-CD1 4.08Å; A1382-Y1757 HydrophobicContact CB-CE1 4.48Å |
| 1383 | H | 90.1 | Very high | 85.4 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 177.6 | -178.3 | 66.3 | 0 | 0 | 0 | 113 | I1379 L1380 H1381 H1386 S1387 Y1591 W1745 L1746 V1750 | I1379-H1383 PolarHBondContact O-N 3.43Å; L1380-H1383 PolarHBondContact O-N 2.68Å; H1381-H1383 VanDerWaalsContact C-N 3.34Å; H1381-H1383 PolarHBondContact O-N 3.46Å; H1383-H1386 PolarHBondContact O-N 3.02Å; H1383-S1387 PolarHBondContact O-N 3.45Å; H1383-S1387 VanDerWaalsContact O-N 3.1Å; H1383-S1387 PolarHBondContact O-OG 3.26Å; H1383-Y1591 AromaticContact CD2-CE2 3.81Å; H1383-Y1591 AromaticContact CD2-CZ 3.74Å; H1383-Y1591 PolarHBondContact CD2-OH 3.07Å; H1383-Y1591 VanDerWaalsContact CD2-OH 3.27Å; H1383-Y1591 AromaticContact NE2-CZ 3.91Å; H1383-W1745 AromaticContact CE1-CH2 3.96Å; H1383-W1745 AromaticContact NE2-CH2 3.94Å; H1383-W1745 AromaticContact NE2-CZ3 3.94Å; H1383-L1746 HydrophobicContact CB-CD2 3.77Å; H1383-V1750 HydrophobicContact CB-CG2 3.83Å |
| 1384 | V | 91 | Very high | 83.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | 177.6 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | L1380 H1381 H1386 S1387 L1388 I1401 L1406 W1414 I1417 T1421 L1595 | L1380-V1384 HydrophobicContact CD1-CG2 4.41Å; L1380-V1384 WeakPolarHBondContact O-CB 3.41Å; L1380-V1384 WeakPolarHBondContact O-CG2 3.24Å; L1380-V1384 PolarHBondContact O-N 3.26Å; H1381-V1384 PolarHBondContact O-N 3.29Å; V1384-H1386 PolarHBondContact O-N 3.05Å; V1384-S1387 PolarHBondContact O-N 3.02Å; V1384-L1388 HydrophobicContact CG1-CD1 3.72Å; V1384-L1388 HydrophobicContact CG1-CG 4.27Å; V1384-L1388 WeakPolarHBondContact O-CG 3.44Å; V1384-L1388 PolarHBondContact O-N 3.33Å; V1384-I1401 HydrophobicContact CB-CD1 4.44Å; V1384-I1401 HydrophobicContact CG1-CD1 4Å; V1384-L1406 HydrophobicContact CG1-CD2 4.08Å; V1384-W1414 HydrophobicContact CB-CE3 4.37Å; V1384-W1414 HydrophobicContact CB-CZ3 4.39Å; V1384-W1414 HydrophobicContact CG1-CE3 4.26Å; V1384-W1414 HydrophobicContact CG2-CE3 3.94Å; V1384-W1414 HydrophobicContact CG2-CZ3 4.22Å; V1384-I1417 HydrophobicContact CB-CD1 4.44Å; V1384-I1417 HydrophobicContact CG1-CD1 3.39Å; V1384-I1417 HydrophobicContact CG2-CD1 4.26Å; V1384-T1421 HydrophobicContact CG2-CG2 4.39Å; V1384-L1595 HydrophobicContact CG2-CD2 3.63Å |
| 1385 | R | 88.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 176.8 | -174 | -177.7 | 66.5 | -144.1 | -7.4 | 110.6 | H1381 A1382 S1387 L1388 L1389 S1399 I1401 E1755 C1756 G1758 C1774 | H1381-R1385 VanDerWaalsContact O-CB 3.23Å; H1381-R1385 WeakPolarHBondContact O-CB 3.43Å; H1381-R1385 PolarHBondContact O-N 3.47Å; A1382-R1385 PolarHBondContact O-N 2.92Å; R1385-S1387 VanDerWaalsContact C-N 3.3Å; R1385-S1387 PolarHBondContact O-N 3.11Å; R1385-L1388 PolarHBondContact O-N 3.43Å; R1385-L1389 HydrophobicContact CG-CD1 3.78Å; R1385-L1389 HydrophobicContact CG-CG 4.16Å; R1385-L1389 WeakPolarHBondContact O-CB 3.47Å; R1385-L1389 WeakPolarHBondContact O-CG 3.36Å; R1385-L1389 PolarHBondContact O-N 2.8Å; R1385-S1399 PolarHBondContact NH1-O 3.41Å; R1385-S1399 VanDerWaalsContact NH1-O 3.08Å; R1385-I1401 HydrophobicContact CB-CD1 4.03Å; R1385-I1401 HydrophobicContact CB-CG1 3.83Å; R1385-I1401 HydrophobicContact CG-CG1 4.03Å; R1385-E1755 IonicContact CZ-OE2 3.05Å; R1385-E1755 IonicContact NE-OE2 2.75Å; R1385-E1755 IonicContact NH2-OE2 3.33Å; R1385-E1755 PolarHBondContact NH2-OE2 2.03Å; R1385-C1756 PolarHBondContact NH2-O 3.22Å; R1385-G1758 PolarHBondContact NH1-O 2.87Å; R1385-C1774 PolarHBondContact NH1-SG 2.78Å; R1385-C1774 PolarHBondContact NH2-SG 3.03Å; R1385-C1774 VanDerWaalsContact NH2-SG 3.44Å |
| 1386 | H | 85.7 | Confident | 79 | Confident | 59 Ų | 59 | 35.9 Ų | 35.9 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.7 | -48.4 | 176.2 | -179.7 | 81.7 | 0 | 0 | 0 | 112.2 | A1382 H1383 V1384 L1388 L1389 G1390 N1753 E1755 | A1382-H1386 WeakPolarHBondContact O-CB 3.25Å; A1382-H1386 PolarHBondContact O-N 3.22Å; H1383-H1386 PolarHBondContact O-N 3.02Å; V1384-H1386 PolarHBondContact O-N 3.05Å; H1386-L1388 PolarHBondContact O-N 2.94Å; H1386-L1389 PolarHBondContact O-N 2.96Å; H1386-G1390 PolarHBondContact O-N 3.43Å; H1386-N1753 PolarHBondContact CD2-ND2 3.1Å; H1386-N1753 PolarHBondContact NE2-ND2 2.84Å; H1386-N1753 VanDerWaalsContact NE2-ND2 3.19Å; H1386-E1755 HydrophobicContact CB-CG 3.73Å; H1386-E1755 WeakPolarHBondContact CB-OE1 3.25Å; H1386-E1755 IonicContact CE1-OE1 3.63Å; H1386-E1755 IonicContact CG-OE1 2.61Å; H1386-E1755 IonicContact ND1-OE1 2.84Å; H1386-E1755 PolarHBondContact ND1-OE1 3.43Å |
| 1387 | S | 85.1 | Confident | 77.1 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | -177.6 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | H1383 V1384 R1385 Q1391 | H1383-S1387 PolarHBondContact O-N 3.45Å; H1383-S1387 VanDerWaalsContact O-N 3.1Å; H1383-S1387 PolarHBondContact O-OG 3.26Å; V1384-S1387 PolarHBondContact O-N 3.02Å; R1385-S1387 VanDerWaalsContact C-N 3.3Å; R1385-S1387 PolarHBondContact O-N 3.11Å; S1387-Q1391 PolarHBondContact O-N 3.1Å |
| 1388 | L | 85.2 | Confident | 75.6 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 176.4 | -68.8 | 171.4 | 0 | 0 | 0 | 111.6 | V1384 R1385 H1386 G1390 Q1391 F1392 I1401 L1405 L1406 I1417 V1420 | V1384-L1388 HydrophobicContact CG1-CD1 3.72Å; V1384-L1388 HydrophobicContact CG1-CG 4.27Å; V1384-L1388 WeakPolarHBondContact O-CG 3.44Å; V1384-L1388 PolarHBondContact O-N 3.33Å; R1385-L1388 PolarHBondContact O-N 3.43Å; H1386-L1388 PolarHBondContact O-N 2.94Å; L1388-G1390 VanDerWaalsContact C-N 3.29Å; L1388-G1390 PolarHBondContact O-N 3.28Å; L1388-Q1391 PolarHBondContact O-N 2.88Å; L1388-F1392 HydrophobicContact CB-CD2 4.46Å; L1388-F1392 HydrophobicContact CD2-CD2 4.25Å; L1388-F1392 HydrophobicContact CD2-CE2 3.94Å; L1388-F1392 VanDerWaalsContact O-CD2 3.24Å; L1388-F1392 WeakPolarHBondContact O-CD2 3.46Å; L1388-F1392 PolarHBondContact O-N 2.83Å; L1388-I1401 HydrophobicContact CD1-CG2 3.66Å; L1388-L1405 HydrophobicContact CD1-CB 4.42Å; L1388-L1405 HydrophobicContact CD2-CB 4.47Å; L1388-L1406 HydrophobicContact CD1-CD2 4.02Å; L1388-I1417 HydrophobicContact CD1-CD1 4.42Å; L1388-I1417 HydrophobicContact CD2-CD1 4.49Å; L1388-I1417 HydrophobicContact CD2-CG2 4.42Å; L1388-V1420 HydrophobicContact CD2-CG1 3.73Å |
| 1389 | L | 73.3 | Confident | 74.9 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 177.7 | -69.3 | 179.8 | 0 | 0 | 0 | 112.6 | R1385 H1386 Q1391 T1396 | R1385-L1389 HydrophobicContact CG-CD1 3.78Å; R1385-L1389 HydrophobicContact CG-CG 4.16Å; R1385-L1389 WeakPolarHBondContact O-CB 3.47Å; R1385-L1389 WeakPolarHBondContact O-CG 3.36Å; R1385-L1389 PolarHBondContact O-N 2.8Å; H1386-L1389 PolarHBondContact O-N 2.96Å; L1389-Q1391 VanDerWaalsContact C-N 3.27Å; L1389-Q1391 PolarHBondContact O-N 2.92Å; L1389-T1396 HydrophobicContact CD2-CG2 3.42Å; L1389-T1396 VanDerWaalsContact CD2-CG2 3.42Å; L1389-T1396 WeakPolarHBondContact CD2-OG1 3.31Å |
| 1390 | G | 67.8 | Low | 74.6 | Confident | 57 Ų | 57 | 51 Ų | 51 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.4 | -30.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1386 L1388 | H1386-G1390 PolarHBondContact O-N 3.43Å; L1388-G1390 VanDerWaalsContact C-N 3.29Å; L1388-G1390 PolarHBondContact O-N 3.28Å |
| 1391 | Q | 68 | Low | 74.4 | Confident | 86 Ų | 86 | 51.1 Ų | 51.1 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -94.2 | -34.2 | 178.3 | -67.7 | -161.7 | 12.6 | 0 | 0 | 113.6 | S1387 L1388 L1389 V1420 | S1387-Q1391 PolarHBondContact O-N 3.1Å; L1388-Q1391 PolarHBondContact O-N 2.88Å; L1389-Q1391 VanDerWaalsContact C-N 3.27Å; L1389-Q1391 PolarHBondContact O-N 2.92Å; Q1391-V1420 HydrophobicContact CG-CG1 4.24Å; Q1391-V1420 PolarHBondContact NE2-O 3.32Å |
| 1392 | F | 67.5 | Low | 74.2 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | trans | -115.6 | 78.1 | -172.7 | -53 | -66.4 | 0 | 0 | 0 | 110.4 | N1306 T1308 L1388 N1394 L1405 V1420 | N1306-F1392 WeakPolarHBondContact O-CE1 3.4Å; T1308-F1392 HydrophobicContact CG2-CB 4.31Å; T1308-F1392 HydrophobicContact CG2-CD1 3.22Å; T1308-F1392 HydrophobicContact CG2-CE1 3.65Å; T1308-F1392 HydrophobicContact CG2-CG 3.89Å; L1388-F1392 HydrophobicContact CB-CD2 4.46Å; L1388-F1392 HydrophobicContact CD2-CD2 4.25Å; L1388-F1392 HydrophobicContact CD2-CE2 3.94Å; L1388-F1392 VanDerWaalsContact O-CD2 3.24Å; L1388-F1392 WeakPolarHBondContact O-CD2 3.46Å; L1388-F1392 PolarHBondContact O-N 2.83Å; F1392-N1394 PolarHBondContact O-N 3.42Å; F1392-L1405 HydrophobicContact CB-CD1 4.48Å; F1392-L1405 HydrophobicContact CD2-CD1 4.44Å; F1392-L1405 HydrophobicContact CD2-CD2 4.21Å; F1392-L1405 HydrophobicContact CG-CD2 4.29Å; F1392-V1420 HydrophobicContact CE2-CG1 4.2Å | ||
| 1393 | L | 54.9 | Low | 74.2 | Confident | 155 Ų | 155 | 51.7 Ų | 51.7 | 81% | 0.812 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -9.5 | -168.3 | -79.4 | 159.6 | 0 | 0 | 0 | 116.8 | ||
| 1394 | N | 51.5 | Low | 74.2 | Confident | 162 Ų | 162 | 51.4 Ų | 51.4 | 87% | 0.866 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 6.1 | -161 | -104.7 | 3.6 | 0 | 0 | 0 | 117.6 | F1392 | F1392-N1394 PolarHBondContact O-N 3.42Š|
| 1395 | D | 48.6 | Very low | 74.2 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 34% | 0.342 | 28% | 0.275 | S | S | . | . | trans | -144.7 | 60 | -163.8 | -148 | 16.5 | 0 | 0 | 0 | 115.4 | P1402 H1404 | D1395-P1402 VanDerWaalsContact O-CG 3.29Å; D1395-P1402 WeakPolarHBondContact O-CG 3.3Å; D1395-H1404 IonicContact OD2-CE1 2.69Å; D1395-H1404 IonicContact OD2-NE2 2.72Å | ||
| 1396 | T | 49 | Very low | 74.3 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | trans | -153.3 | 145.4 | 170.8 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | L1389 P1402 | L1389-T1396 HydrophobicContact CD2-CG2 3.42Å; L1389-T1396 VanDerWaalsContact CD2-CG2 3.42Å; L1389-T1396 WeakPolarHBondContact CD2-OG1 3.31Å; T1396-P1402 HydrophobicContact CG2-CG 3.54Å | ||
| 1397 | K | 53.7 | Low | 74.5 | Confident | 177 Ų | 177 | 49 Ų | 49 | 77% | 0.77 | 26% | 0.263 | S | S | * | . | trans | -77.3 | 120.3 | 153.7 | -69.6 | 177.1 | -178.8 | 174.6 | 0 | 107.5 | S1399 T1400 | K1397-S1399 PolarHBondContact O-N 2.92Å; K1397-T1400 PolarHBondContact O-N 3.31Å | ||
| 1398 | E | 64.2 | Low | 74.7 | Confident | 129 Ų | 129 | 48.4 Ų | 48.4 | 60% | 0.603 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.3 | -14.1 | -161.8 | -66 | 173.4 | 152.7 | 0 | 0 | 120.3 | R1778 | E1398-R1778 IonicContact OE2-CZ 3.29Å; E1398-R1778 IonicContact OE2-NE 3.79Å; E1398-R1778 PolarHBondContact OE2-NE 2.93Å; E1398-R1778 IonicContact OE2-NH2 2.79Å; E1398-R1778 PolarHBondContact OE2-NH2 3.3Å |
| 1399 | S | 79.1 | Confident | 75 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -17.7 | -176.5 | 65.1 | 0 | 0 | 0 | 0 | 116.8 | H1381 R1385 K1397 | H1381-S1399 PolarHBondContact CE1-O 3.35Å; R1385-S1399 PolarHBondContact NH1-O 3.41Å; R1385-S1399 VanDerWaalsContact NH1-O 3.08Å; K1397-S1399 PolarHBondContact O-N 2.92Å |
| 1400 | T | 86.5 | Confident | 75.8 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -105.1 | 148 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | K1397 K1633 G1637 A1639 W1759 | K1397-T1400 PolarHBondContact O-N 3.31Å; T1400-K1633 HydrophobicContact CG2-CG 4.14Å; T1400-G1637 CarbonylContact C-O 3.6Å; T1400-G1637 VanDerWaalsContact CA-O 3.26Å; T1400-G1637 WeakPolarHBondContact CA-O 3.34Å; T1400-G1637 WeakPolarHBondContact CB-O 3.49Å; T1400-A1639 WeakPolarHBondContact OG1-CB 3.41Å; T1400-W1759 HydrophobicContact CG2-CB 4.18Å |
| 1401 | I | 89.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.9 | 175.3 | -58.7 | 168.1 | 0 | 0 | 0 | 109.4 | H1381 V1384 R1385 L1388 A1403 L1406 G1637 I1638 A1639 | H1381-I1401 WeakPolarHBondContact NE2-CD1 3.38Å; V1384-I1401 HydrophobicContact CB-CD1 4.44Å; V1384-I1401 HydrophobicContact CG1-CD1 4Å; R1385-I1401 HydrophobicContact CB-CD1 4.03Å; R1385-I1401 HydrophobicContact CB-CG1 3.83Å; R1385-I1401 HydrophobicContact CG-CG1 4.03Å; L1388-I1401 HydrophobicContact CD1-CG2 3.66Å; I1401-A1403 PolarHBondContact O-N 3.47Å; I1401-L1406 HydrophobicContact CG2-CD1 3.93Å; I1401-L1406 HydrophobicContact CG2-CD2 3.95Å; I1401-L1406 HydrophobicContact CG2-CG 3.76Å; I1401-G1637 PolarHBondContact N-O 3.24Å; I1401-I1638 VanDerWaalsContact O-CA 3.28Å; I1401-I1638 WeakPolarHBondContact O-CA 3.19Å; I1401-I1638 WeakPolarHBondContact O-CG2 3.29Å; I1401-A1639 PolarHBondContact O-N 3.46Å |
| 1402 | P | 89 | Confident | 78.1 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.071 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 129.1 | 170.4 | -20.5 | 30.7 | 0 | 0 | 0 | 111 | D1395 T1396 H1404 L1405 A1639 | D1395-P1402 VanDerWaalsContact O-CG 3.29Å; D1395-P1402 WeakPolarHBondContact O-CG 3.3Å; T1396-P1402 HydrophobicContact CG2-CG 3.54Å; P1402-H1404 VanDerWaalsContact CB-CE1 3.47Å; P1402-H1404 WeakPolarHBondContact CB-CE1 3.21Å; P1402-H1404 WeakPolarHBondContact CB-ND1 3.18Å; P1402-H1404 PolarHBondContact O-N 2.91Å; P1402-H1404 VanDerWaalsContact O-N 3.15Å; P1402-L1405 HydrophobicContact CB-CD1 4.13Å; P1402-L1405 HydrophobicContact CB-CG 4.14Å; P1402-L1405 HydrophobicContact CG-CD1 3.85Å; P1402-L1405 HydrophobicContact CG-CG 4.41Å; P1402-L1405 PolarHBondContact O-N 2.86Å; P1402-L1405 VanDerWaalsContact O-N 3.16Å; P1402-A1639 CarbonylContact C-O 3.6Å; P1402-A1639 WeakPolarHBondContact CA-O 3.5Å |
| 1403 | A | 91.1 | Very high | 79.1 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -59 | -32.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W1315 I1401 L1406 A1411 W1629 I1638 A1639 | W1315-A1403 HydrophobicContact CZ2-CB 3.85Å; I1401-A1403 PolarHBondContact O-N 3.47Å; A1403-L1406 PolarHBondContact O-N 3.39Å; A1403-A1411 HydrophobicContact CB-CB 4.16Å; A1403-W1629 HydrophobicContact CB-CH2 4.1Å; A1403-I1638 HydrophobicContact CB-CG2 3.61Å; A1403-A1639 PolarHBondContact N-O 2.87Å |
| 1404 | H | 89.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -71.7 | -29.8 | -177.8 | 71 | -72.4 | 0 | 0 | 0 | 113 | L1311 E1312 W1315 D1395 P1402 L1406 R1407 P1641 | L1311-H1404 HydrophobicContact CB-CB 4.45Å; E1312-H1404 PolarHBondContact N-CD2 3.25Å; W1315-H1404 HydrophobicContact CB-CB 3.84Å; W1315-H1404 HydrophobicContact CD2-CB 4.49Å; W1315-H1404 HydrophobicContact CG-CB 3.84Å; D1395-H1404 IonicContact OD2-CE1 2.69Å; D1395-H1404 IonicContact OD2-NE2 2.72Å; P1402-H1404 VanDerWaalsContact CB-CE1 3.47Å; P1402-H1404 WeakPolarHBondContact CB-CE1 3.21Å; P1402-H1404 WeakPolarHBondContact CB-ND1 3.18Å; P1402-H1404 PolarHBondContact O-N 2.91Å; P1402-H1404 VanDerWaalsContact O-N 3.15Å; H1404-L1406 PolarHBondContact O-N 3.41Å; H1404-R1407 PolarHBondContact O-N 2.91Å; H1404-P1641 HydrophobicContact CB-CG 4.3Å; H1404-P1641 WeakPolarHBondContact ND1-CB 3.08Å |
| 1405 | L | 89.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -70 | -16.8 | 177.9 | -61.8 | -177 | 0 | 0 | 0 | 113.1 | T1308 L1388 F1392 P1402 R1407 | T1308-L1405 HydrophobicContact CG2-CD2 3.78Å; L1388-L1405 HydrophobicContact CD1-CB 4.42Å; L1388-L1405 HydrophobicContact CD2-CB 4.47Å; F1392-L1405 HydrophobicContact CB-CD1 4.48Å; F1392-L1405 HydrophobicContact CD2-CD1 4.44Å; F1392-L1405 HydrophobicContact CD2-CD2 4.21Å; F1392-L1405 HydrophobicContact CG-CD2 4.29Å; P1402-L1405 HydrophobicContact CB-CD1 4.13Å; P1402-L1405 HydrophobicContact CB-CG 4.14Å; P1402-L1405 HydrophobicContact CG-CD1 3.85Å; P1402-L1405 HydrophobicContact CG-CG 4.41Å; P1402-L1405 PolarHBondContact O-N 2.86Å; P1402-L1405 VanDerWaalsContact O-N 3.16Å; L1405-R1407 PolarHBondContact O-N 3.39Å |
| 1406 | L | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -78 | 2.4 | 176.2 | -68.6 | 165.3 | 0 | 0 | 0 | 113.1 | V1384 L1388 I1401 A1403 H1404 N1408 A1411 W1414 I1417 I1638 | V1384-L1406 HydrophobicContact CG1-CD2 4.08Å; L1388-L1406 HydrophobicContact CD1-CD2 4.02Å; I1401-L1406 HydrophobicContact CG2-CD1 3.93Å; I1401-L1406 HydrophobicContact CG2-CD2 3.95Å; I1401-L1406 HydrophobicContact CG2-CG 3.76Å; A1403-L1406 PolarHBondContact O-N 3.39Å; H1404-L1406 PolarHBondContact O-N 3.41Å; L1406-N1408 PolarHBondContact O-N 2.57Å; L1406-A1411 HydrophobicContact CB-CB 4.37Å; L1406-A1411 HydrophobicContact CD1-CB 3.63Å; L1406-W1414 HydrophobicContact CD1-CZ2 4.43Å; L1406-W1414 HydrophobicContact CD2-CD2 3.88Å; L1406-W1414 HydrophobicContact CD2-CG 3.81Å; L1406-I1417 HydrophobicContact CD2-CD1 4.16Å; L1406-I1638 HydrophobicContact CD1-CD1 3.85Å; L1406-I1638 HydrophobicContact CD1-CG1 4.2Å |
| 1407 | R | 88.7 | Confident | 85.8 | Confident | 9 Ų | 9 | 25 Ų | 25 | 3% | 0.034 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 23.2 | 173.4 | -64.7 | -179.1 | 79.5 | 178.7 | 29 | 114.6 | L1302 A1303 T1304 S1305 N1306 L1311 H1404 L1405 R1416 I1417 D1419 | L1302-R1407 WeakPolarHBondContact CB-O 3.45Å; L1302-R1407 WeakPolarHBondContact O-CB 3.4Å; L1302-R1407 WeakPolarHBondContact O-CG 3.27Å; L1302-R1407 PolarHBondContact O-NE 2.82Å; L1302-R1407 VanDerWaalsContact O-NE 3.11Å; A1303-R1407 PolarHBondContact O-NH2 3.06Å; A1303-R1407 VanDerWaalsContact O-NH2 3.1Å; T1304-R1407 PolarHBondContact O-NH2 2.82Å; S1305-R1407 PolarHBondContact O-NE 2.86Å; S1305-R1407 PolarHBondContact O-NH2 3.36Å; N1306-R1407 PolarHBondContact OD1-NH2 2.88Å; L1311-R1407 HydrophobicContact CD1-CG 4.31Å; H1404-R1407 PolarHBondContact O-N 2.91Å; L1405-R1407 PolarHBondContact O-N 3.39Å; R1407-R1416 HydrophobicContact CB-CB 4.05Å; R1407-R1416 PolarHBondContact NH1-O 3.19Å; R1407-R1416 WeakPolarHBondContact O-CD 3.33Å; R1407-R1416 PolarHBondContact O-NH1 3.46Å; R1407-I1417 HydrophobicContact CB-CG2 4Å; R1407-I1417 HydrophobicContact CG-CG2 3.88Å; R1407-D1419 IonicContact CZ-OD2 3.66Å; R1407-D1419 IonicContact NH1-OD1 2.75Å; R1407-D1419 PolarHBondContact NH1-OD1 3.27Å; R1407-D1419 IonicContact NH1-OD2 3.28Å; R1407-D1419 PolarHBondContact NH1-OD2 3.11Å; R1407-D1419 IonicContact NH2-OD2 3.82Å |
| 1408 | N | 90.2 | Very high | 87 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -136.6 | 133.6 | 178.7 | 175.4 | -78.9 | 0 | 0 | 0 | 108.9 | L1406 W1410 A1411 N1412 D1413 | L1406-N1408 PolarHBondContact O-N 2.57Å; N1408-W1410 PolarHBondContact O-N 2.94Å; N1408-W1410 WeakPolarHBondContact OD1-CA 3.47Å; N1408-W1410 PolarHBondContact OD1-N 3.16Å; N1408-A1411 PolarHBondContact O-N 2.86Å; N1408-A1411 PolarHBondContact OD1-N 3.07Å; N1408-N1412 PolarHBondContact ND2-OD1 3.17Å; N1408-N1412 PolarHBondContact OD1-N 2.65Å; N1408-N1412 PolarHBondContact OD1-OD1 3.01Å; N1408-N1412 VanDerWaalsContact OD1-OD1 3.1Å; N1408-D1413 VanDerWaalsContact CB-O 3.24Å; N1408-D1413 WeakPolarHBondContact CB-O 3.31Å |
| 1409 | M | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.1 | -172.3 | -173.7 | 57.4 | 79.8 | 0 | 0 | 112.6 | L1294 L1298 L1302 V1314 W1318 R1319 | L1294-M1409 HydrophobicContact CD1-CB 4.33Å; L1294-M1409 HydrophobicContact CD1-CE 4.11Å; L1294-M1409 HydrophobicContact CD1-CG 4.01Å; L1298-M1409 HydrophobicContact CB-CE 4.1Å; L1298-M1409 HydrophobicContact CD1-CE 3.9Å; L1302-M1409 HydrophobicContact CD1-CB 3.75Å; L1302-M1409 HydrophobicContact CD1-CE 3.79Å; L1302-M1409 HydrophobicContact CD1-SD 4.34Å; V1314-M1409 HydrophobicContact CG1-CE 3.88Å; W1318-M1409 HydrophobicContact CB-CE 3.71Å; W1318-M1409 HydrophobicContact CB-SD 3.98Å; W1318-M1409 VanDerWaalsContact CD1-SD 3.55Å; W1318-M1409 HydrophobicContact CG-CE 3.77Å; W1318-M1409 HydrophobicContact CG-SD 3.94Å; R1319-M1409 VanDerWaalsContact CZ-O 3.23Å; R1319-M1409 PolarHBondContact NH1-O 3.48Å; R1319-M1409 PolarHBondContact NH2-O 3.34Å |
| 1410 | W | 91.5 | Very high | 87.2 | Confident | 29 Ų | 29 | 15.2 Ų | 15.2 | 11% | 0.11 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -2 | -174.1 | -49.2 | -68.5 | 0 | 0 | 0 | 113.7 | L1294 N1408 N1412 K1632 | L1294-W1410 HydrophobicContact CD1-CH2 4.41Å; L1294-W1410 HydrophobicContact CD1-CZ2 4.18Å; L1294-W1410 HydrophobicContact CD2-CH2 4.21Å; L1294-W1410 HydrophobicContact CD2-CZ2 3.8Å; N1408-W1410 PolarHBondContact O-N 2.94Å; N1408-W1410 WeakPolarHBondContact OD1-CA 3.47Å; N1408-W1410 PolarHBondContact OD1-N 3.16Å; W1410-N1412 HydrophobicContact CB-CB 4.48Å; W1410-N1412 PolarHBondContact O-N 3.06Å; W1410-K1632 PolarHBondContact O-NZ 3.14Å; W1410-K1632 VanDerWaalsContact O-NZ 3.1Å |
| 1411 | A | 91.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 56.8 | 28.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1403 L1406 N1408 W1414 I1638 | A1403-A1411 HydrophobicContact CB-CB 4.16Å; L1406-A1411 HydrophobicContact CB-CB 4.37Å; L1406-A1411 HydrophobicContact CD1-CB 3.63Å; N1408-A1411 PolarHBondContact O-N 2.86Å; N1408-A1411 PolarHBondContact OD1-N 3.07Å; A1411-W1414 PolarHBondContact O-NE1 2.91Å; A1411-I1638 HydrophobicContact CB-CD1 3.87Å; A1411-I1638 HydrophobicContact CB-CG2 4.27Å |
| 1412 | N | 91.6 | Very high | 85.3 | Confident | 20 Ų | 20 | 18.2 Ų | 18.2 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | trans | -106.5 | -6.3 | -174.3 | 69.7 | -4.9 | 0 | 0 | 0 | 114.5 | N1408 W1410 P1599 S1600 H1603 | N1408-N1412 PolarHBondContact ND2-OD1 3.17Å; N1408-N1412 PolarHBondContact OD1-N 2.65Å; N1408-N1412 PolarHBondContact OD1-OD1 3.01Å; N1408-N1412 VanDerWaalsContact OD1-OD1 3.1Å; W1410-N1412 HydrophobicContact CB-CB 4.48Å; W1410-N1412 PolarHBondContact O-N 3.06Å; N1412-P1599 CarbonylContact O-C 3.55Å; N1412-S1600 VanDerWaalsContact O-CA 3.29Å; N1412-S1600 WeakPolarHBondContact O-CA 3.24Å; N1412-S1600 VanDerWaalsContact O-CB 3.29Å; N1412-S1600 WeakPolarHBondContact O-CB 3.34Å; N1412-S1600 PolarHBondContact O-N 2.95Å; N1412-S1600 VanDerWaalsContact O-N 3.12Å; N1412-H1603 HydrophobicContact CB-CB 3.67Å; N1412-H1603 WeakPolarHBondContact CB-CD2 2.95Å; N1412-H1603 PolarHBondContact ND2-CD2 2.84Å; N1412-H1603 PolarHBondContact ND2-NE2 3.35Å | ||
| 1413 | D | 89.8 | Confident | 83.4 | Confident | 24 Ų | 24 | 24 Ų | 24 | 13% | 0.128 | 13% | 0.128 | C | C | . | . | trans | -139.7 | 112 | 177.3 | 170 | 10.1 | 0 | 0 | 0 | 106.8 | N1408 S1415 | N1408-D1413 VanDerWaalsContact CB-O 3.24Å; N1408-D1413 WeakPolarHBondContact CB-O 3.31Å; D1413-S1415 WeakPolarHBondContact OD1-CB 3.4Å; D1413-S1415 PolarHBondContact OD1-N 3.38Å; D1413-S1415 PolarHBondContact OD1-OG 3.46Å; D1413-S1415 PolarHBondContact OD2-OG 3.07Å | ||
| 1414 | W | 92.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -99.4 | 7.5 | -177.2 | -56.1 | -8.2 | 0 | 0 | 0 | 111.3 | Y1377 L1380 H1381 V1384 L1406 A1411 R1416 I1417 L1595 P1599 I1638 | Y1377-W1414 AromaticContact CE2-CH2 3.9Å; Y1377-W1414 HydrophobicContact CE2-CH2 3.9Å; Y1377-W1414 HydrophobicContact CE2-CZ2 4.29Å; Y1377-W1414 AromaticContact CZ-CH2 3.77Å; Y1377-W1414 WeakPolarHBondContact OH-CH2 3.47Å; Y1377-W1414 WeakPolarHBondContact OH-CZ2 3.27Å; L1380-W1414 HydrophobicContact CD2-CE3 4.4Å; L1380-W1414 HydrophobicContact CD2-CZ3 4.26Å; L1380-W1414 HydrophobicContact CG-CE3 4.47Å; L1380-W1414 HydrophobicContact CG-CZ3 4.16Å; H1381-W1414 HydrophobicContact CB-CH2 4.44Å; V1384-W1414 HydrophobicContact CB-CE3 4.37Å; V1384-W1414 HydrophobicContact CB-CZ3 4.39Å; V1384-W1414 HydrophobicContact CG1-CE3 4.26Å; V1384-W1414 HydrophobicContact CG2-CE3 3.94Å; V1384-W1414 HydrophobicContact CG2-CZ3 4.22Å; L1406-W1414 HydrophobicContact CD1-CZ2 4.43Å; L1406-W1414 HydrophobicContact CD2-CD2 3.88Å; L1406-W1414 HydrophobicContact CD2-CG 3.81Å; A1411-W1414 PolarHBondContact O-NE1 2.91Å; W1414-R1416 PolarHBondContact O-N 2.77Å; W1414-R1416 VanDerWaalsContact O-N 3.09Å; W1414-I1417 HydrophobicContact CB-CD1 4.23Å; W1414-I1417 HydrophobicContact CB-CG1 4.13Å; W1414-I1417 WeakPolarHBondContact O-CG1 3.46Å; W1414-I1417 PolarHBondContact O-N 2.63Å; W1414-I1417 VanDerWaalsContact O-N 3.17Å; W1414-L1595 HydrophobicContact CB-CB 4.01Å; W1414-L1595 HydrophobicContact CB-CD2 3.81Å; W1414-L1595 HydrophobicContact CB-CG 4.43Å; W1414-L1595 HydrophobicContact CE3-CD2 3.98Å; W1414-L1595 PolarHBondContact N-O 3.21Å; W1414-P1599 HydrophobicContact CB-CG 4.19Å; W1414-P1599 HydrophobicContact CD2-CB 3.74Å; W1414-P1599 HydrophobicContact CD2-CG 3.19Å; W1414-P1599 VanDerWaalsContact CE2-CB 3.43Å; W1414-P1599 VanDerWaalsContact CE2-CG 3.45Å; W1414-P1599 HydrophobicContact CE3-CB 4.34Å; W1414-P1599 HydrophobicContact CE3-CG 3.43Å; W1414-P1599 VanDerWaalsContact CE3-CG 3.43Å; W1414-P1599 HydrophobicContact CG-CB 4.01Å; W1414-P1599 HydrophobicContact CG-CG 3.54Å; W1414-P1599 HydrophobicContact CH2-CB 4.41Å; W1414-P1599 HydrophobicContact CH2-CG 4.14Å; W1414-P1599 HydrophobicContact CZ2-CB 3.81Å; W1414-P1599 HydrophobicContact CZ2-CG 3.93Å; W1414-P1599 HydrophobicContact CZ3-CG 3.91Å; W1414-I1638 HydrophobicContact CZ2-CD1 4.16Å | ||
| 1415 | S | 84.3 | Confident | 78.9 | Confident | 34 Ų | 34 | 31.7 Ų | 31.7 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.3 | -19.8 | 179.6 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | D1413 I1417 L1418 | D1413-S1415 WeakPolarHBondContact OD1-CB 3.4Å; D1413-S1415 PolarHBondContact OD1-N 3.38Å; D1413-S1415 PolarHBondContact OD1-OG 3.46Å; D1413-S1415 PolarHBondContact OD2-OG 3.07Å; S1415-I1417 VanDerWaalsContact C-N 3.29Å; S1415-I1417 PolarHBondContact O-N 3.28Å; S1415-L1418 VanDerWaalsContact O-CD1 3.31Å; S1415-L1418 WeakPolarHBondContact O-CD1 3.5Å; S1415-L1418 VanDerWaalsContact O-CG 3.27Å; S1415-L1418 WeakPolarHBondContact O-CG 3.25Å |
| 1416 | R | 82.5 | Confident | 76.8 | Confident | 60 Ų | 60 | 36.3 Ų | 36.3 | 23% | 0.226 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -77.6 | -6.2 | 178.7 | -61.3 | 177.6 | -178 | -172.9 | 4.8 | 114.6 | D1299 R1407 W1414 | D1299-R1416 PolarHBondContact O-NH1 3Å; D1299-R1416 IonicContact OD1-CZ 2.77Å; D1299-R1416 IonicContact OD1-NH1 3.75Å; D1299-R1416 PolarHBondContact OD1-NH1 3.46Å; D1299-R1416 IonicContact OD1-NH2 3.08Å; D1299-R1416 PolarHBondContact OD1-NH2 3.36Å; D1299-R1416 IonicContact OD2-NH2 3.74Å; R1407-R1416 HydrophobicContact CB-CB 4.05Å; R1407-R1416 PolarHBondContact NH1-O 3.19Å; R1407-R1416 WeakPolarHBondContact O-CD 3.33Å; R1407-R1416 PolarHBondContact O-NH1 3.46Å; W1414-R1416 PolarHBondContact O-N 2.77Å; W1414-R1416 VanDerWaalsContact O-N 3.09Å |
| 1417 | I | 84.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -106.7 | 16.7 | 175.5 | 58.8 | 156 | 0 | 0 | 0 | 112.5 | V1384 L1388 L1406 R1407 W1414 S1415 D1419 V1420 T1421 | V1384-I1417 HydrophobicContact CB-CD1 4.44Å; V1384-I1417 HydrophobicContact CG1-CD1 3.39Å; V1384-I1417 HydrophobicContact CG2-CD1 4.26Å; L1388-I1417 HydrophobicContact CD1-CD1 4.42Å; L1388-I1417 HydrophobicContact CD2-CD1 4.49Å; L1388-I1417 HydrophobicContact CD2-CG2 4.42Å; L1406-I1417 HydrophobicContact CD2-CD1 4.16Å; R1407-I1417 HydrophobicContact CB-CG2 4Å; R1407-I1417 HydrophobicContact CG-CG2 3.88Å; W1414-I1417 HydrophobicContact CB-CD1 4.23Å; W1414-I1417 HydrophobicContact CB-CG1 4.13Å; W1414-I1417 WeakPolarHBondContact O-CG1 3.46Å; W1414-I1417 PolarHBondContact O-N 2.63Å; W1414-I1417 VanDerWaalsContact O-N 3.17Å; S1415-I1417 VanDerWaalsContact C-N 3.29Å; S1415-I1417 PolarHBondContact O-N 3.28Å; I1417-D1419 VanDerWaalsContact C-N 3.25Å; I1417-D1419 PolarHBondContact O-N 3.14Å; I1417-V1420 HydrophobicContact CB-CB 4.31Å; I1417-V1420 PolarHBondContact O-N 2.81Å; I1417-T1421 HydrophobicContact CD1-CG2 3.89Å; I1417-T1421 HydrophobicContact CG1-CG2 4.39Å; I1417-T1421 PolarHBondContact O-N 3.46Å; I1417-T1421 PolarHBondContact O-OG1 2.94Å |
| 1418 | L | 80 | Confident | 73.6 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.9 | -40.3 | 176.3 | -82.7 | 168.9 | 0 | 0 | 0 | 112.1 | S1415 V1420 T1421 E1422 Y1591 A1592 L1595 | S1415-L1418 VanDerWaalsContact O-CD1 3.31Å; S1415-L1418 WeakPolarHBondContact O-CD1 3.5Å; S1415-L1418 VanDerWaalsContact O-CG 3.27Å; S1415-L1418 WeakPolarHBondContact O-CG 3.25Å; L1418-V1420 VanDerWaalsContact C-N 3.27Å; L1418-V1420 PolarHBondContact O-N 3.39Å; L1418-T1421 PolarHBondContact O-N 3.48Å; L1418-T1421 PolarHBondContact O-OG1 3.44Å; L1418-E1422 PolarHBondContact O-N 2.01Å; L1418-E1422 VanDerWaalsContact O-N 3.08Å; L1418-Y1591 HydrophobicContact CD2-CD1 3.8Å; L1418-Y1591 HydrophobicContact CD2-CE1 4.07Å; L1418-A1592 HydrophobicContact CD1-CB 3.76Å; L1418-A1592 HydrophobicContact CD2-CB 4.11Å; L1418-L1595 HydrophobicContact CD2-CD1 3.66Å; L1418-L1595 HydrophobicContact CG-CD1 4.02Å |
| 1419 | D | 73.6 | Confident | 72.6 | Confident | 84 Ų | 84 | 44 Ų | 44 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.6 | -27.9 | 175.2 | 61.5 | -36.8 | 0 | 0 | 0 | 113.7 | R1407 I1417 | R1407-D1419 IonicContact CZ-OD2 3.66Å; R1407-D1419 IonicContact NH1-OD1 2.75Å; R1407-D1419 PolarHBondContact NH1-OD1 3.27Å; R1407-D1419 IonicContact NH1-OD2 3.28Å; R1407-D1419 PolarHBondContact NH1-OD2 3.11Å; R1407-D1419 IonicContact NH2-OD2 3.82Å; I1417-D1419 VanDerWaalsContact C-N 3.25Å; I1417-D1419 PolarHBondContact O-N 3.14Å |
| 1420 | V | 73.5 | Confident | 71.6 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -86.8 | -29 | -179.4 | 173.9 | 0 | 0 | 0 | 0 | 112 | L1388 Q1391 F1392 I1417 L1418 | L1388-V1420 HydrophobicContact CD2-CG1 3.73Å; Q1391-V1420 HydrophobicContact CG-CG1 4.24Å; Q1391-V1420 PolarHBondContact NE2-O 3.32Å; F1392-V1420 HydrophobicContact CE2-CG1 4.2Å; I1417-V1420 HydrophobicContact CB-CB 4.31Å; I1417-V1420 PolarHBondContact O-N 2.81Å; L1418-V1420 VanDerWaalsContact C-N 3.27Å; L1418-V1420 PolarHBondContact O-N 3.39Å |
| 1421 | T | 73.1 | Confident | 70.8 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -91.7 | -21.8 | -177 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | V1384 I1417 L1418 Y1591 | V1384-T1421 HydrophobicContact CG2-CG2 4.39Å; I1417-T1421 HydrophobicContact CD1-CG2 3.89Å; I1417-T1421 HydrophobicContact CG1-CG2 4.39Å; I1417-T1421 PolarHBondContact O-N 3.46Å; I1417-T1421 PolarHBondContact O-OG1 2.94Å; L1418-T1421 PolarHBondContact O-N 3.48Å; L1418-T1421 PolarHBondContact O-OG1 3.44Å; T1421-Y1591 WeakPolarHBondContact CB-OH 3.49Å; T1421-Y1591 WeakPolarHBondContact CG2-OH 3.34Å; T1421-Y1591 WeakPolarHBondContact OG1-CE1 3.27Å; T1421-Y1591 PolarHBondContact OG1-OH 2.89Å |
| 1422 | E | 62.9 | Low | 70.1 | Confident | 61 Ų | 61 | 50 Ų | 50 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | trans | -102.5 | 108 | 172.8 | -68.4 | -173.4 | -167.4 | 0 | 0 | 111.2 | L1418 S1424 K1588 | L1418-E1422 PolarHBondContact O-N 2.01Å; L1418-E1422 VanDerWaalsContact O-N 3.08Å; E1422-S1424 VanDerWaalsContact C-N 3.25Å; E1422-S1424 PolarHBondContact O-N 3.13Å; E1422-K1588 WeakPolarHBondContact OE2-CE 3.37Å | ||
| 1423 | T | 48.2 | Very low | 69.7 | Low | 134 Ų | 134 | 49.1 Ų | 49.1 | 82% | 0.822 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -73.9 | -5.7 | -174.2 | 24.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1424 | S | 38.7 | Very low | 69.5 | Low | 108 Ų | 108 | 49.1 Ų | 49.1 | 76% | 0.755 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -168.4 | 96 | -179 | 38.5 | 0 | 0 | 0 | 0 | 111.9 | E1422 | E1422-S1424 VanDerWaalsContact C-N 3.25Å; E1422-S1424 PolarHBondContact O-N 3.13Å |
| 1425 | A | 47.5 | Very low | 69.2 | Low | 54 Ų | 54 | 52.3 Ų | 52.3 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | trans | -166.3 | 154.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1588 | A1425-K1588 VanDerWaalsContact CB-NZ 3.29Š| ||
| 1426 | P | 45.6 | Very low | 69.3 | Low | 101 Ų | 101 | 52.3 Ų | 52.3 | 66% | 0.656 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -68.7 | 165.7 | 174.5 | -4.4 | 21.7 | 0 | 0 | 0 | 111.9 | S1428 | P1426-S1428 PolarHBondContact O-N 2.89Š|
| 1427 | Q | 50.8 | Low | 69.7 | Low | 119 Ų | 119 | 49.4 Ų | 49.4 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -25.9 | 126.3 | -178.3 | -69.7 | 170.2 | -42.1 | 0 | 0 | 114.4 | V1431 E1435 | Q1427-V1431 HydrophobicContact CB-CB 4.4Å; Q1427-V1431 HydrophobicContact CB-CG1 4.21Å; Q1427-V1431 HydrophobicContact CG-CG1 4.29Å; Q1427-E1435 PolarHBondContact NE2-OE1 3.15Å; Q1427-E1435 PolarHBondContact NE2-OE2 2.87Å; Q1427-E1435 VanDerWaalsContact NE2-OE2 3.14Å; Q1427-E1435 PolarHBondContact OE1-OE2 3.18Å |
| 1428 | S | 62.7 | Low | 69.9 | Low | 42 Ų | 42 | 54.1 Ų | 54.1 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | trans | -44.1 | 139.8 | 172 | 159 | 0 | 0 | 0 | 0 | 111.6 | P1426 V1430 V1431 Q1432 | P1426-S1428 PolarHBondContact O-N 2.89Å; S1428-V1430 PolarHBondContact O-N 3.47Å; S1428-V1430 PolarHBondContact OG-N 2.95Å; S1428-V1431 CarbonylContact O-C 3.21Å; S1428-V1431 WeakPolarHBondContact O-CA 3.42Å; S1428-V1431 VanDerWaalsContact O-CB 3.27Å; S1428-V1431 WeakPolarHBondContact O-CB 3.45Å; S1428-V1431 PolarHBondContact O-N 3.27Å; S1428-Q1432 PolarHBondContact O-N 2.61Å | ||
| 1429 | F | 69.7 | Low | 70.2 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.4 | -27.9 | 176.6 | 74.3 | -86.7 | 0 | 0 | 0 | 112.6 | V1431 Q1432 A1433 L1506 M1558 L1564 L1585 Y1589 A1592 | F1429-V1431 VanDerWaalsContact C-N 3.33Å; F1429-Q1432 PolarHBondContact O-N 3.27Å; F1429-A1433 VanDerWaalsContact O-CB 3.28Å; F1429-A1433 WeakPolarHBondContact O-CB 3.23Å; F1429-A1433 PolarHBondContact O-N 3.45Å; F1429-L1506 HydrophobicContact CE2-CD2 4.28Å; F1429-M1558 HydrophobicContact CD2-CE 4Å; F1429-M1558 HydrophobicContact CE2-CE 4.19Å; F1429-L1564 HydrophobicContact CB-CD2 4.27Å; F1429-L1585 HydrophobicContact CB-CD1 3.81Å; F1429-Y1589 HydrophobicContact CD2-CD2 4.49Å; F1429-Y1589 HydrophobicContact CE1-CD2 4.43Å; F1429-Y1589 AromaticContact CE2-CD2 3.77Å; F1429-Y1589 HydrophobicContact CE2-CD2 3.77Å; F1429-Y1589 HydrophobicContact CE2-CE2 4.41Å; F1429-Y1589 AromaticContact CZ-CD2 3.73Å; F1429-Y1589 HydrophobicContact CZ-CD2 3.73Å; F1429-A1592 HydrophobicContact CE1-CB 3.55Å; F1429-A1592 HydrophobicContact CZ-CB 3.87Å |
| 1430 | V | 70.7 | Confident | 71.1 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.297 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | S1428 T1434 L1506 | S1428-V1430 PolarHBondContact O-N 3.47Å; S1428-V1430 PolarHBondContact OG-N 2.95Å; V1430-T1434 VanDerWaalsContact O-CB 3.23Å; V1430-T1434 WeakPolarHBondContact O-CB 3.47Å; V1430-T1434 PolarHBondContact O-N 2.89Å; V1430-T1434 PolarHBondContact O-OG1 3.44Å; V1430-L1506 HydrophobicContact CG1-CB 4.42Å; V1430-L1506 HydrophobicContact CG1-CD2 4.49Å; V1430-L1506 HydrophobicContact CG2-CD2 4.48Å |
| 1431 | V | 73 | Confident | 71.9 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68 | -47.7 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | Q1427 S1428 F1429 A1433 T1434 E1435 | Q1427-V1431 HydrophobicContact CB-CB 4.4Å; Q1427-V1431 HydrophobicContact CB-CG1 4.21Å; Q1427-V1431 HydrophobicContact CG-CG1 4.29Å; S1428-V1431 CarbonylContact O-C 3.21Å; S1428-V1431 WeakPolarHBondContact O-CA 3.42Å; S1428-V1431 VanDerWaalsContact O-CB 3.27Å; S1428-V1431 WeakPolarHBondContact O-CB 3.45Å; S1428-V1431 PolarHBondContact O-N 3.27Å; F1429-V1431 VanDerWaalsContact C-N 3.33Å; V1431-A1433 PolarHBondContact O-N 2.96Å; V1431-T1434 PolarHBondContact O-N 3.34Å; V1431-E1435 HydrophobicContact CG1-CG 4.21Å; V1431-E1435 VanDerWaalsContact CG1-OE1 3.29Å; V1431-E1435 WeakPolarHBondContact CG1-OE1 3.25Å; V1431-E1435 WeakPolarHBondContact O-CB 3.08Å; V1431-E1435 VanDerWaalsContact O-CG 3.31Å; V1431-E1435 WeakPolarHBondContact O-CG 3.3Å; V1431-E1435 PolarHBondContact O-N 3.41Å |
| 1432 | Q | 77 | Confident | 72.8 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 23% | 0.229 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.3 | -50.6 | 176.1 | -172.8 | -176.2 | 5.8 | 0 | 0 | 111.6 | S1428 F1429 T1434 E1435 Q1436 L1564 D1565 | S1428-Q1432 PolarHBondContact O-N 2.61Å; F1429-Q1432 PolarHBondContact O-N 3.27Å; Q1432-T1434 VanDerWaalsContact C-N 3.34Å; Q1432-T1434 PolarHBondContact O-N 2.87Å; Q1432-E1435 PolarHBondContact O-N 2.94Å; Q1432-Q1436 WeakPolarHBondContact O-CB 3.44Å; Q1432-Q1436 WeakPolarHBondContact O-CG 3.45Å; Q1432-Q1436 PolarHBondContact O-N 3.05Å; Q1432-L1564 HydrophobicContact CG-CD2 4.46Å; Q1432-D1565 PolarHBondContact NE2-OD2 3.46Å |
| 1433 | A | 82.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1429 V1431 Q1436 M1437 L1506 M1558 L1563 | F1429-A1433 VanDerWaalsContact O-CB 3.28Å; F1429-A1433 WeakPolarHBondContact O-CB 3.23Å; F1429-A1433 PolarHBondContact O-N 3.45Å; V1431-A1433 PolarHBondContact O-N 2.96Å; A1433-Q1436 PolarHBondContact O-N 2.9Å; A1433-M1437 WeakPolarHBondContact O-CG 3.34Å; A1433-M1437 PolarHBondContact O-N 2.92Å; A1433-L1506 HydrophobicContact CB-CB 4.45Å; A1433-L1506 HydrophobicContact CB-CD2 4.11Å; A1433-M1558 HydrophobicContact CB-SD 4.12Å; A1433-L1563 WeakPolarHBondContact CA-O 3.33Å; A1433-L1563 HydrophobicContact CB-CB 4.18Å |
| 1434 | T | 85.4 | Confident | 76 | Confident | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 176.5 | -62 | 0 | 0 | 0 | 0 | 111.8 | V1430 V1431 Q1432 M1437 I1438 V1504 L1506 | V1430-T1434 VanDerWaalsContact O-CB 3.23Å; V1430-T1434 WeakPolarHBondContact O-CB 3.47Å; V1430-T1434 PolarHBondContact O-N 2.89Å; V1430-T1434 PolarHBondContact O-OG1 3.44Å; V1431-T1434 PolarHBondContact O-N 3.34Å; Q1432-T1434 VanDerWaalsContact C-N 3.34Å; Q1432-T1434 PolarHBondContact O-N 2.87Å; T1434-M1437 WeakPolarHBondContact O-CB 3.02Å; T1434-M1437 PolarHBondContact O-N 2.98Å; T1434-I1438 HydrophobicContact CG2-CD1 4.03Å; T1434-I1438 VanDerWaalsContact O-CG1 3.26Å; T1434-I1438 WeakPolarHBondContact O-CG1 3.25Å; T1434-I1438 PolarHBondContact O-N 3.06Å; T1434-V1504 WeakPolarHBondContact CG2-O 3.45Å; T1434-L1506 PolarHBondContact OG1-N 2.92Å |
| 1435 | E | 85.9 | Confident | 78.6 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.3 | -75.3 | 177.7 | -177.7 | 0 | 0 | 111.3 | Q1427 V1431 Q1432 I1438 Q1439 | Q1427-E1435 PolarHBondContact NE2-OE1 3.15Å; Q1427-E1435 PolarHBondContact NE2-OE2 2.87Å; Q1427-E1435 VanDerWaalsContact NE2-OE2 3.14Å; Q1427-E1435 PolarHBondContact OE1-OE2 3.18Å; V1431-E1435 HydrophobicContact CG1-CG 4.21Å; V1431-E1435 VanDerWaalsContact CG1-OE1 3.29Å; V1431-E1435 WeakPolarHBondContact CG1-OE1 3.25Å; V1431-E1435 WeakPolarHBondContact O-CB 3.08Å; V1431-E1435 VanDerWaalsContact O-CG 3.31Å; V1431-E1435 WeakPolarHBondContact O-CG 3.3Å; V1431-E1435 PolarHBondContact O-N 3.41Å; Q1432-E1435 PolarHBondContact O-N 2.94Å; E1435-I1438 PolarHBondContact O-N 3.42Å; E1435-Q1439 WeakPolarHBondContact O-CB 3.4Å; E1435-Q1439 VanDerWaalsContact O-CG 3.26Å; E1435-Q1439 WeakPolarHBondContact O-CG 3.42Å; E1435-Q1439 PolarHBondContact O-N 3.49Å |
| 1436 | Q | 86.9 | Confident | 80.7 | Confident | 33 Ų | 33 | 60.1 Ų | 60.1 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.7 | -72.8 | -61.3 | -19.5 | 0 | 0 | 111.9 | Q1432 A1433 I1438 Q1439 Q1440 L1563 | Q1432-Q1436 WeakPolarHBondContact O-CB 3.44Å; Q1432-Q1436 WeakPolarHBondContact O-CG 3.45Å; Q1432-Q1436 PolarHBondContact O-N 3.05Å; A1433-Q1436 PolarHBondContact O-N 2.9Å; Q1436-I1438 VanDerWaalsContact C-N 3.31Å; Q1436-I1438 PolarHBondContact O-N 2.81Å; Q1436-Q1439 PolarHBondContact O-N 3.39Å; Q1436-Q1440 WeakPolarHBondContact O-CB 3.2Å; Q1436-Q1440 VanDerWaalsContact O-CG 3.25Å; Q1436-Q1440 WeakPolarHBondContact O-CG 3.43Å; Q1436-Q1440 PolarHBondContact O-N 3.18Å; Q1436-L1563 HydrophobicContact CB-CD2 4.36Å; Q1436-L1563 WeakPolarHBondContact CG-O 3.4Å |
| 1437 | M | 91.5 | Very high | 83 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -43 | 173.1 | -71.4 | 172.4 | 73.2 | 0 | 0 | 111.6 | A1433 T1434 Q1440 N1441 Y1442 M1447 V1504 L1509 L1563 | A1433-M1437 WeakPolarHBondContact O-CG 3.34Å; A1433-M1437 PolarHBondContact O-N 2.92Å; T1434-M1437 WeakPolarHBondContact O-CB 3.02Å; T1434-M1437 PolarHBondContact O-N 2.98Å; M1437-Q1440 PolarHBondContact O-N 2.89Å; M1437-N1441 PolarHBondContact O-N 3.45Å; M1437-Y1442 HydrophobicContact CB-CD2 4.15Å; M1437-Y1442 HydrophobicContact CB-CG 4.08Å; M1437-Y1442 HydrophobicContact CE-CD1 3.81Å; M1437-Y1442 HydrophobicContact CE-CE1 4.3Å; M1437-Y1442 HydrophobicContact CE-CG 4.22Å; M1437-Y1442 HydrophobicContact CG-CD2 4.36Å; M1437-Y1442 HydrophobicContact CG-CG 4.32Å; M1437-Y1442 WeakPolarHBondContact O-CB 3.15Å; M1437-Y1442 WeakPolarHBondContact O-CD2 3.35Å; M1437-Y1442 PolarHBondContact O-N 3.07Å; M1437-M1447 HydrophobicContact CE-CG 3.79Å; M1437-M1447 HydrophobicContact CE-SD 3.42Å; M1437-M1447 WeakPolarHBondContact CE-SD 3.45Å; M1437-V1504 HydrophobicContact CB-CG1 3.86Å; M1437-V1504 HydrophobicContact CE-CG1 4.26Å; M1437-L1509 HydrophobicContact CE-CB 3.88Å; M1437-L1509 HydrophobicContact CE-CD2 4.11Å; M1437-L1509 HydrophobicContact CE-CG 4.39Å; M1437-L1509 HydrophobicContact SD-CD2 4.31Å; M1437-L1563 HydrophobicContact CB-CD2 4.48Å; M1437-L1563 HydrophobicContact CG-CD1 3.89Å; M1437-L1563 HydrophobicContact CG-CD2 3.5Å; M1437-L1563 HydrophobicContact CG-CG 4.31Å; M1437-L1563 HydrophobicContact SD-CD1 4.19Å |
| 1438 | I | 88 | Confident | 85.1 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.3 | -68.1 | 164.5 | 0 | 0 | 0 | 110.6 | T1434 E1435 Q1436 Q1440 N1441 V1504 | T1434-I1438 HydrophobicContact CG2-CD1 4.03Å; T1434-I1438 VanDerWaalsContact O-CG1 3.26Å; T1434-I1438 WeakPolarHBondContact O-CG1 3.25Å; T1434-I1438 PolarHBondContact O-N 3.06Å; E1435-I1438 PolarHBondContact O-N 3.42Å; Q1436-I1438 VanDerWaalsContact C-N 3.31Å; Q1436-I1438 PolarHBondContact O-N 2.81Å; I1438-Q1440 VanDerWaalsContact C-N 3.33Å; I1438-Q1440 PolarHBondContact O-N 3.46Å; I1438-N1441 PolarHBondContact O-N 3.35Å; I1438-N1441 VanDerWaalsContact O-N 3.11Å; I1438-V1504 HydrophobicContact CG1-CB 4.37Å; I1438-V1504 HydrophobicContact CG1-CG1 4.06Å |
| 1439 | Q | 87.3 | Confident | 86.6 | Confident | 124 Ų | 124 | 53.6 Ų | 53.6 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.2 | -36.5 | 177.2 | -72.4 | 175.1 | 28.1 | 0 | 0 | 112.5 | E1435 Q1436 N1441 | E1435-Q1439 WeakPolarHBondContact O-CB 3.4Å; E1435-Q1439 VanDerWaalsContact O-CG 3.26Å; E1435-Q1439 WeakPolarHBondContact O-CG 3.42Å; E1435-Q1439 PolarHBondContact O-N 3.49Å; Q1436-Q1439 PolarHBondContact O-N 3.39Å; Q1439-N1441 PolarHBondContact O-N 2.92Å |
| 1440 | Q | 91.3 | Very high | 87.7 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 5.7 | 176 | -67.9 | 178.1 | 38 | 0 | 0 | 113.4 | Q1436 M1437 I1438 Y1442 N1562 | Q1436-Q1440 WeakPolarHBondContact O-CB 3.2Å; Q1436-Q1440 VanDerWaalsContact O-CG 3.25Å; Q1436-Q1440 WeakPolarHBondContact O-CG 3.43Å; Q1436-Q1440 PolarHBondContact O-N 3.18Å; M1437-Q1440 PolarHBondContact O-N 2.89Å; I1438-Q1440 VanDerWaalsContact C-N 3.33Å; I1438-Q1440 PolarHBondContact O-N 3.46Å; Q1440-Y1442 VanDerWaalsContact C-N 3.35Å; Q1440-Y1442 HydrophobicContact CB-CD2 3.92Å; Q1440-Y1442 HydrophobicContact CB-CE2 4.09Å; Q1440-Y1442 PolarHBondContact O-N 3.15Å; Q1440-N1562 PolarHBondContact NE2-O 2.89Å |
| 1441 | N | 90 | Very high | 88.9 | Confident | 139 Ų | 139 | 52.5 Ų | 52.5 | 74% | 0.743 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 38.6 | -178.3 | -61.9 | -56 | 0 | 0 | 0 | 114 | M1437 I1438 Q1439 T1443 | M1437-N1441 PolarHBondContact O-N 3.45Å; I1438-N1441 PolarHBondContact O-N 3.35Å; I1438-N1441 VanDerWaalsContact O-N 3.11Å; Q1439-N1441 PolarHBondContact O-N 2.92Å; N1441-T1443 PolarHBondContact O-N 3.29Å |
| 1442 | Y | 91.9 | Very high | 90.1 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | trans | -57.5 | 137 | 171.8 | -91.5 | -112.4 | 0 | 0 | 0 | 110.9 | M1437 Q1440 Q1446 M1447 E1450 V1504 L1563 | M1437-Y1442 HydrophobicContact CB-CD2 4.15Å; M1437-Y1442 HydrophobicContact CB-CG 4.08Å; M1437-Y1442 HydrophobicContact CE-CD1 3.81Å; M1437-Y1442 HydrophobicContact CE-CE1 4.3Å; M1437-Y1442 HydrophobicContact CE-CG 4.22Å; M1437-Y1442 HydrophobicContact CG-CD2 4.36Å; M1437-Y1442 HydrophobicContact CG-CG 4.32Å; M1437-Y1442 WeakPolarHBondContact O-CB 3.15Å; M1437-Y1442 WeakPolarHBondContact O-CD2 3.35Å; M1437-Y1442 PolarHBondContact O-N 3.07Å; Q1440-Y1442 VanDerWaalsContact C-N 3.35Å; Q1440-Y1442 HydrophobicContact CB-CD2 3.92Å; Q1440-Y1442 HydrophobicContact CB-CE2 4.09Å; Q1440-Y1442 PolarHBondContact O-N 3.15Å; Y1442-Q1446 HydrophobicContact CD1-CB 4.49Å; Y1442-Q1446 HydrophobicContact CD1-CG 4.19Å; Y1442-Q1446 HydrophobicContact CE1-CG 4.31Å; Y1442-M1447 HydrophobicContact CD1-CG 3.73Å; Y1442-M1447 HydrophobicContact CE1-CG 4.45Å; Y1442-E1450 HydrophobicContact CE1-CG 3.68Å; Y1442-V1504 VanDerWaalsContact O-CG2 3.22Å; Y1442-V1504 WeakPolarHBondContact O-CG2 3.35Å; Y1442-L1563 HydrophobicContact CE2-CD2 4.44Å | ||
| 1443 | T | 91.5 | Very high | 90.9 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 47% | 0.466 | 25% | 0.25 | S | S | . | . | trans | -113.6 | 164.3 | 168.5 | 64.9 | 0 | 0 | 0 | 0 | 109.3 | N1441 L1445 Q1446 M1447 | N1441-T1443 PolarHBondContact O-N 3.29Å; T1443-L1445 PolarHBondContact O-N 3.03Å; T1443-Q1446 WeakPolarHBondContact O-CA 3.32Å; T1443-Q1446 WeakPolarHBondContact O-CB 3.32Å; T1443-Q1446 PolarHBondContact O-N 3.17Å; T1443-Q1446 WeakPolarHBondContact OG1-CB 3.25Å; T1443-Q1446 PolarHBondContact OG1-N 3.29Å; T1443-Q1446 VanDerWaalsContact OG1-N 3.07Å; T1443-M1447 PolarHBondContact O-N 2.9Å | ||
| 1444 | M | 88.7 | Confident | 91.6 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.1 | -38.7 | 174 | -72.9 | 171.8 | -67 | 0 | 0 | 112.6 | M1447 A1448 F1473 G1474 Y1512 | M1444-M1447 HydrophobicContact CB-CE 4.36Å; M1444-M1447 HydrophobicContact CG-CE 3.92Å; M1444-M1447 PolarHBondContact O-N 3.46Å; M1444-A1448 PolarHBondContact O-N 3.49Å; M1444-A1448 VanDerWaalsContact O-N 3.16Å; M1444-F1473 HydrophobicContact CB-CB 4.44Å; M1444-G1474 VanDerWaalsContact CE-CA 3.46Å; M1444-G1474 WeakPolarHBondContact SD-CA 3.31Å; M1444-Y1512 HydrophobicContact CB-CE2 4.45Å |
| 1445 | L | 91.9 | Very high | 92.2 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 173.8 | -176.6 | 63.3 | 0 | 0 | 0 | 111.8 | T1443 A1448 R1449 W1468 F1473 | T1443-L1445 PolarHBondContact O-N 3.03Å; L1445-A1448 PolarHBondContact O-N 2.89Å; L1445-R1449 WeakPolarHBondContact O-CG 3.43Å; L1445-R1449 PolarHBondContact O-N 3.38Å; L1445-W1468 HydrophobicContact CD1-CE3 3.9Å; L1445-W1468 HydrophobicContact CD1-CZ3 3.83Å; L1445-F1473 HydrophobicContact CD1-CD2 4.02Å; L1445-F1473 HydrophobicContact CD1-CE2 4.08Å; L1445-F1473 HydrophobicContact CD1-CG 4.32Å; L1445-F1473 HydrophobicContact CD1-CZ 4.45Å |
| 1446 | Q | 92 | Very high | 92.6 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.3 | -171.1 | 60.6 | 26.5 | 0 | 0 | 111.4 | Y1442 T1443 A1448 R1449 E1450 | Y1442-Q1446 HydrophobicContact CD1-CB 4.49Å; Y1442-Q1446 HydrophobicContact CD1-CG 4.19Å; Y1442-Q1446 HydrophobicContact CE1-CG 4.31Å; T1443-Q1446 WeakPolarHBondContact O-CA 3.32Å; T1443-Q1446 WeakPolarHBondContact O-CB 3.32Å; T1443-Q1446 PolarHBondContact O-N 3.17Å; T1443-Q1446 WeakPolarHBondContact OG1-CB 3.25Å; T1443-Q1446 PolarHBondContact OG1-N 3.29Å; T1443-Q1446 VanDerWaalsContact OG1-N 3.07Å; Q1446-A1448 VanDerWaalsContact C-N 3.28Å; Q1446-A1448 PolarHBondContact O-N 3.46Å; Q1446-R1449 WeakPolarHBondContact O-CA 3.4Å; Q1446-R1449 WeakPolarHBondContact O-CB 3.46Å; Q1446-R1449 PolarHBondContact O-N 2.92Å; Q1446-E1450 PolarHBondContact NE2-OE1 3.46Å; Q1446-E1450 WeakPolarHBondContact O-CG 3.32Å; Q1446-E1450 PolarHBondContact O-N 3.49Å |
| 1447 | M | 94 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -39.5 | 175.2 | -68.4 | -168.5 | -71.1 | 0 | 0 | 112.4 | M1437 Y1442 T1443 M1444 E1450 A1451 R1503 D1508 L1509 Y1512 | M1437-M1447 HydrophobicContact CE-CG 3.79Å; M1437-M1447 HydrophobicContact CE-SD 3.42Å; M1437-M1447 WeakPolarHBondContact CE-SD 3.45Å; Y1442-M1447 HydrophobicContact CD1-CG 3.73Å; Y1442-M1447 HydrophobicContact CE1-CG 4.45Å; T1443-M1447 PolarHBondContact O-N 2.9Å; M1444-M1447 HydrophobicContact CB-CE 4.36Å; M1444-M1447 HydrophobicContact CG-CE 3.92Å; M1444-M1447 PolarHBondContact O-N 3.46Å; M1447-E1450 PolarHBondContact O-N 3.32Å; M1447-A1451 PolarHBondContact O-N 3.09Å; M1447-R1503 VanDerWaalsContact CE-O 3.27Å; M1447-R1503 WeakPolarHBondContact CE-O 3.05Å; M1447-D1508 HydrophobicContact CE-CB 4.25Å; M1447-D1508 HydrophobicContact SD-CB 4.5Å; M1447-L1509 HydrophobicContact CB-CD1 3.77Å; M1447-L1509 HydrophobicContact CG-CB 4.48Å; M1447-L1509 HydrophobicContact CG-CD1 3.91Å; M1447-L1509 HydrophobicContact SD-CB 4.01Å; M1447-Y1512 HydrophobicContact CB-CD2 3.61Å; M1447-Y1512 HydrophobicContact CB-CE2 3.99Å; M1447-Y1512 HydrophobicContact CB-CG 4.44Å; M1447-Y1512 HydrophobicContact CE-CD2 4.17Å; M1447-Y1512 HydrophobicContact CE-CE2 3.71Å |
| 1448 | A | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -36 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1444 L1445 Q1446 A1451 D1452 W1468 F1473 Y1512 | M1444-A1448 PolarHBondContact O-N 3.49Å; M1444-A1448 VanDerWaalsContact O-N 3.16Å; L1445-A1448 PolarHBondContact O-N 2.89Å; Q1446-A1448 VanDerWaalsContact C-N 3.28Å; Q1446-A1448 PolarHBondContact O-N 3.46Å; A1448-A1451 WeakPolarHBondContact O-CB 3.28Å; A1448-A1451 PolarHBondContact O-N 3.38Å; A1448-D1452 PolarHBondContact O-N 3.47Å; A1448-W1468 HydrophobicContact CB-CH2 4.15Å; A1448-W1468 HydrophobicContact CB-CZ3 3.88Å; A1448-F1473 HydrophobicContact CB-CD1 3.73Å; A1448-F1473 HydrophobicContact CB-CE1 3.38Å; A1448-F1473 HydrophobicContact CB-CZ 4.32Å; A1448-Y1512 HydrophobicContact CB-CD1 3.92Å; A1448-Y1512 HydrophobicContact CB-CE1 4.19Å; A1448-Y1512 HydrophobicContact CB-CG 4.35Å |
| 1449 | R | 94.6 | Very high | 93.4 | Very high | 125 Ų | 125 | 48.6 Ų | 48.6 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68 | -36.3 | 174.7 | -73.9 | 175.2 | 176.7 | 172.8 | -1.1 | 112.7 | L1445 Q1446 A1451 D1452 E1453 W1468 | L1445-R1449 WeakPolarHBondContact O-CG 3.43Å; L1445-R1449 PolarHBondContact O-N 3.38Å; Q1446-R1449 WeakPolarHBondContact O-CA 3.4Å; Q1446-R1449 WeakPolarHBondContact O-CB 3.46Å; Q1446-R1449 PolarHBondContact O-N 2.92Å; R1449-A1451 VanDerWaalsContact C-N 3.27Å; R1449-A1451 PolarHBondContact O-N 2.81Å; R1449-D1452 PolarHBondContact O-N 3.34Å; R1449-E1453 PolarHBondContact O-N 2.86Å; R1449-W1468 HydrophobicContact CB-CH2 4.49Å; R1449-W1468 HydrophobicContact CG-CH2 3.81Å; R1449-W1468 HydrophobicContact CG-CZ2 4.38Å; R1449-W1468 HydrophobicContact CG-CZ3 4.2Å |
| 1450 | E | 94 | Very high | 93.7 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 171.7 | -65.7 | -47.7 | 146.5 | 0 | 0 | 111.1 | Y1442 Q1446 M1447 E1453 F1454 L1509 | Y1442-E1450 HydrophobicContact CE1-CG 3.68Å; Q1446-E1450 PolarHBondContact NE2-OE1 3.46Å; Q1446-E1450 WeakPolarHBondContact O-CG 3.32Å; Q1446-E1450 PolarHBondContact O-N 3.49Å; M1447-E1450 PolarHBondContact O-N 3.32Å; E1450-E1453 PolarHBondContact O-N 3.08Å; E1450-F1454 WeakPolarHBondContact O-CB 3.3Å; E1450-F1454 PolarHBondContact O-N 2.85Å; E1450-L1509 HydrophobicContact CB-CD1 4.28Å |
| 1451 | A | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1447 A1448 R1449 E1453 F1454 F1455 H1513 M1516 | M1447-A1451 PolarHBondContact O-N 3.09Å; A1448-A1451 WeakPolarHBondContact O-CB 3.28Å; A1448-A1451 PolarHBondContact O-N 3.38Å; R1449-A1451 VanDerWaalsContact C-N 3.27Å; R1449-A1451 PolarHBondContact O-N 2.81Å; A1451-E1453 PolarHBondContact O-N 3.01Å; A1451-F1454 WeakPolarHBondContact O-CB 3.41Å; A1451-F1454 PolarHBondContact O-N 3.41Å; A1451-F1455 WeakPolarHBondContact O-CD2 3.37Å; A1451-F1455 PolarHBondContact O-N 3.46Å; A1451-H1513 WeakPolarHBondContact CA-NE2 3.2Å; A1451-H1513 HydrophobicContact CB-CB 4.47Å; A1451-M1516 HydrophobicContact CB-CE 4.27Å; A1451-M1516 HydrophobicContact CB-CG 4.48Å; A1451-M1516 HydrophobicContact CB-SD 3.46Å; A1451-M1516 WeakPolarHBondContact CB-SD 3.44Å |
| 1452 | D | 97.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.8 | -166.1 | 45.4 | 0 | 0 | 0 | 112.3 | A1448 R1449 F1455 K1456 R1462 M1463 W1468 M1516 | A1448-D1452 PolarHBondContact O-N 3.47Å; R1449-D1452 PolarHBondContact O-N 3.34Å; D1452-F1455 PolarHBondContact O-N 3.36Å; D1452-K1456 WeakPolarHBondContact O-CB 3.3Å; D1452-K1456 PolarHBondContact O-N 3.42Å; D1452-R1462 WeakPolarHBondContact OD1-CA 3.26Å; D1452-M1463 WeakPolarHBondContact OD1-CG 3.35Å; D1452-M1463 PolarHBondContact OD1-N 3.29Å; D1452-W1468 HydrophobicContact CB-CH2 4.3Å; D1452-W1468 HydrophobicContact CB-CZ2 3.87Å; D1452-M1516 HydrophobicContact CB-CE 3.81Å |
| 1453 | E | 95.6 | Very high | 94 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 176.3 | -73.9 | -61.2 | 136.8 | 0 | 0 | 112.3 | R1449 E1450 A1451 K1456 S1457 R1462 | R1449-E1453 PolarHBondContact O-N 2.86Å; E1450-E1453 PolarHBondContact O-N 3.08Å; A1451-E1453 PolarHBondContact O-N 3.01Å; E1453-K1456 IonicContact OE1-NZ 3.74Å; E1453-K1456 VanDerWaalsContact OE2-CD 3.25Å; E1453-K1456 WeakPolarHBondContact OE2-CD 3.4Å; E1453-K1456 IonicContact OE2-NZ 2.65Å; E1453-K1456 PolarHBondContact OE2-NZ 3.38Å; E1453-S1457 WeakPolarHBondContact O-CB 3.49Å; E1453-S1457 PolarHBondContact O-N 3.34Å; E1453-R1462 IonicContact OE1-CZ 3.34Å; E1453-R1462 IonicContact OE1-NE 3.79Å; E1453-R1462 PolarHBondContact OE1-NE 2.61Å; E1453-R1462 IonicContact OE1-NH2 2.76Å; E1453-R1462 PolarHBondContact OE1-NH2 3.19Å; E1453-R1462 IonicContact OE2-NH2 2.79Å |
| 1454 | F | 96.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -51.1 | 171.9 | 172.9 | -86.7 | 0 | 0 | 0 | 111.2 | E1450 A1451 K1456 S1457 I1458 H1513 I1548 V1552 H1557 I1695 A1696 | E1450-F1454 WeakPolarHBondContact O-CB 3.3Å; E1450-F1454 PolarHBondContact O-N 2.85Å; A1451-F1454 WeakPolarHBondContact O-CB 3.41Å; A1451-F1454 PolarHBondContact O-N 3.41Å; F1454-K1456 PolarHBondContact O-N 3.45Å; F1454-S1457 VanDerWaalsContact O-CB 3.31Å; F1454-S1457 WeakPolarHBondContact O-CB 3.34Å; F1454-S1457 PolarHBondContact O-N 3.4Å; F1454-S1457 VanDerWaalsContact O-N 3.07Å; F1454-S1457 PolarHBondContact O-OG 3.42Å; F1454-I1458 HydrophobicContact CE1-CD1 4.22Å; F1454-I1458 HydrophobicContact CZ-CG2 4.49Å; F1454-I1458 PolarHBondContact O-N 2.78Å; F1454-H1513 AromaticContact CG-CD2 3.9Å; F1454-I1548 HydrophobicContact CD1-CG2 4.17Å; F1454-I1548 HydrophobicContact CE1-CD1 3.95Å; F1454-I1548 HydrophobicContact CE1-CG2 3.54Å; F1454-I1548 HydrophobicContact CZ-CD1 4.3Å; F1454-I1548 HydrophobicContact CZ-CG2 4.04Å; F1454-V1552 HydrophobicContact CD2-CG2 4.1Å; F1454-V1552 HydrophobicContact CE2-CG2 4.07Å; F1454-V1552 HydrophobicContact CG-CG2 4.4Å; F1454-V1552 HydrophobicContact CZ-CG2 4.34Å; F1454-H1557 AromaticContact CD2-CE1 3.76Å; F1454-I1695 HydrophobicContact CE2-CG1 4.47Å; F1454-I1695 HydrophobicContact CZ-CD1 4.27Å; F1454-I1695 HydrophobicContact CZ-CG1 3.93Å; F1454-A1696 HydrophobicContact CD2-CB 4.07Å; F1454-A1696 HydrophobicContact CE2-CB 4Å |
| 1455 | F | 97.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | -178.5 | -75 | -66.8 | 0 | 0 | 0 | 112.8 | A1451 D1452 S1457 I1458 G1459 L1460 H1513 M1516 A1517 H1520 I1548 | A1451-F1455 WeakPolarHBondContact O-CD2 3.37Å; A1451-F1455 PolarHBondContact O-N 3.46Å; D1452-F1455 PolarHBondContact O-N 3.36Å; F1455-S1457 VanDerWaalsContact C-N 3.27Å; F1455-S1457 PolarHBondContact O-N 3.03Å; F1455-I1458 HydrophobicContact CD1-CD1 4.06Å; F1455-I1458 WeakPolarHBondContact O-CG1 3.44Å; F1455-I1458 PolarHBondContact O-N 2.89Å; F1455-G1459 PolarHBondContact O-N 3.44Å; F1455-L1460 HydrophobicContact CB-CB 4.23Å; F1455-L1460 HydrophobicContact CD1-CD1 3.71Å; F1455-L1460 HydrophobicContact CE1-CD1 4.42Å; F1455-L1460 HydrophobicContact CG-CD1 4.5Å; F1455-L1460 WeakPolarHBondContact O-CB 3.35Å; F1455-L1460 PolarHBondContact O-N 3.16Å; F1455-H1513 WeakPolarHBondContact CZ-O 3.48Å; F1455-M1516 HydrophobicContact CD2-CB 4.04Å; F1455-M1516 HydrophobicContact CD2-CE 4.38Å; F1455-M1516 HydrophobicContact CE2-CB 3.5Å; F1455-M1516 HydrophobicContact CZ-CB 4.4Å; F1455-A1517 HydrophobicContact CE1-CB 4.28Å; F1455-A1517 HydrophobicContact CZ-CB 3.76Å; F1455-H1520 WeakPolarHBondContact CB-NE2 3.44Å; F1455-H1520 AromaticContact CD1-CD2 3.34Å; F1455-H1520 WeakPolarHBondContact CD1-CD2 3.19Å; F1455-H1520 AromaticContact CD1-NE2 3.79Å; F1455-H1520 AromaticContact CD2-CD2 3.35Å; F1455-H1520 WeakPolarHBondContact CD2-CD2 3.37Å; F1455-H1520 AromaticContact CD2-NE2 3.39Å; F1455-H1520 WeakPolarHBondContact CD2-NE2 3.39Å; F1455-H1520 AromaticContact CE1-CD2 3.72Å; F1455-H1520 AromaticContact CE2-CD2 3.78Å; F1455-H1520 AromaticContact CG-CD2 3.15Å; F1455-H1520 WeakPolarHBondContact CG-CD2 3.27Å; F1455-H1520 AromaticContact CG-NE2 3.14Å; F1455-H1520 WeakPolarHBondContact CG-NE2 3.45Å; F1455-H1520 AromaticContact CZ-CD2 3.94Å; F1455-I1548 HydrophobicContact CE1-CD1 4.19Å; F1455-I1548 HydrophobicContact CE1-CG1 4.17Å; F1455-I1548 HydrophobicContact CE1-CG2 4.17Å; F1455-I1548 HydrophobicContact CZ-CG1 4.47Å; F1455-I1548 HydrophobicContact CZ-CG2 3.88Å |
| 1456 | K | 95.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.4 | -40.4 | 169.7 | 176.5 | -155.7 | 171.3 | -168.6 | 0 | 111.6 | D1452 E1453 F1454 I1458 G1459 R1462 | D1452-K1456 WeakPolarHBondContact O-CB 3.3Å; D1452-K1456 PolarHBondContact O-N 3.42Å; E1453-K1456 IonicContact OE1-NZ 3.74Å; E1453-K1456 VanDerWaalsContact OE2-CD 3.25Å; E1453-K1456 WeakPolarHBondContact OE2-CD 3.4Å; E1453-K1456 IonicContact OE2-NZ 2.65Å; E1453-K1456 PolarHBondContact OE2-NZ 3.38Å; F1454-K1456 PolarHBondContact O-N 3.45Å; K1456-I1458 VanDerWaalsContact C-N 3.25Å; K1456-I1458 PolarHBondContact O-N 2.93Å; K1456-G1459 PolarHBondContact O-N 2.95Å; K1456-R1462 HydrophobicContact CB-CG 4.29Å; K1456-R1462 HydrophobicContact CD-CG 4.4Å; K1456-R1462 HydrophobicContact CG-CG 4.33Å |
| 1457 | S | 95.5 | Very high | 94.1 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -33.2 | -179.4 | 86.1 | 0 | 0 | 0 | 0 | 112.8 | E1453 F1454 F1455 G1459 N1697 | E1453-S1457 WeakPolarHBondContact O-CB 3.49Å; E1453-S1457 PolarHBondContact O-N 3.34Å; F1454-S1457 VanDerWaalsContact O-CB 3.31Å; F1454-S1457 WeakPolarHBondContact O-CB 3.34Å; F1454-S1457 PolarHBondContact O-N 3.4Å; F1454-S1457 VanDerWaalsContact O-N 3.07Å; F1454-S1457 PolarHBondContact O-OG 3.42Å; F1455-S1457 VanDerWaalsContact C-N 3.27Å; F1455-S1457 PolarHBondContact O-N 3.03Å; S1457-G1459 VanDerWaalsContact C-N 3.27Å; S1457-G1459 PolarHBondContact O-N 3.41Å; S1457-N1697 WeakPolarHBondContact CB-OD1 3.33Å; S1457-N1697 CarbonylContact O-C 3.54Å; S1457-N1697 VanDerWaalsContact O-CA 3.25Å; S1457-N1697 WeakPolarHBondContact O-CA 3.31Å; S1457-N1697 PolarHBondContact OG-N 3.16Å |
| 1458 | I | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 7.9 | 175.1 | 65.7 | 168.3 | 0 | 0 | 0 | 112.7 | F1454 F1455 K1456 L1460 I1548 I1695 T1699 G1702 L1705 | F1454-I1458 HydrophobicContact CE1-CD1 4.22Å; F1454-I1458 HydrophobicContact CZ-CG2 4.49Å; F1454-I1458 PolarHBondContact O-N 2.78Å; F1455-I1458 HydrophobicContact CD1-CD1 4.06Å; F1455-I1458 WeakPolarHBondContact O-CG1 3.44Å; F1455-I1458 PolarHBondContact O-N 2.89Å; K1456-I1458 VanDerWaalsContact C-N 3.25Å; K1456-I1458 PolarHBondContact O-N 2.93Å; I1458-L1460 HydrophobicContact CD1-CD1 4.17Å; I1458-L1460 HydrophobicContact CD1-CG 4.19Å; I1458-L1460 HydrophobicContact CG1-CG 4.1Å; I1458-I1548 HydrophobicContact CD1-CD1 4.45Å; I1458-I1695 HydrophobicContact CG2-CG1 4.47Å; I1458-I1695 VanDerWaalsContact CG2-O 3.25Å; I1458-I1695 WeakPolarHBondContact CG2-O 3.5Å; I1458-T1699 WeakPolarHBondContact O-CA 3.29Å; I1458-G1702 WeakPolarHBondContact O-CA 3.34Å; I1458-L1705 HydrophobicContact CD1-CD2 4.24Å |
| 1459 | G | 92.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 15.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1455 K1456 S1457 | F1455-G1459 PolarHBondContact O-N 3.44Å; K1456-G1459 PolarHBondContact O-N 2.95Å; S1457-G1459 VanDerWaalsContact C-N 3.27Å; S1457-G1459 PolarHBondContact O-N 3.41Å |
| 1460 | L | 94 | Very high | 93.7 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 155.6 | 168.6 | -61.2 | -167 | 0 | 0 | 0 | 110.8 | F1455 I1458 H1520 Y1706 | F1455-L1460 HydrophobicContact CB-CB 4.23Å; F1455-L1460 HydrophobicContact CD1-CD1 3.71Å; F1455-L1460 HydrophobicContact CE1-CD1 4.42Å; F1455-L1460 HydrophobicContact CG-CD1 4.5Å; F1455-L1460 WeakPolarHBondContact O-CB 3.35Å; F1455-L1460 PolarHBondContact O-N 3.16Å; I1458-L1460 HydrophobicContact CD1-CD1 4.17Å; I1458-L1460 HydrophobicContact CD1-CG 4.19Å; I1458-L1460 HydrophobicContact CG1-CG 4.1Å; L1460-H1520 HydrophobicContact CD1-CB 3.85Å; L1460-Y1706 HydrophobicContact CD2-CD2 3.63Å; L1460-Y1706 HydrophobicContact CD2-CG 4.06Å |
| 1461 | P | 91.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 152.1 | 178.1 | 27.1 | -35.5 | 0 | 0 | 0 | 111.4 | H1520 I1523 | P1461-H1520 PolarHBondContact O-CE1 2.86Å; P1461-I1523 HydrophobicContact CG-CG2 4.16Å |
| 1462 | R | 92.8 | Very high | 93.3 | Very high | 138 Ų | 138 | 48.7 Ų | 48.7 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 152 | 169.4 | -78.5 | -178.7 | 162.8 | 164.4 | -7.8 | 111.3 | D1452 E1453 K1456 | D1452-R1462 WeakPolarHBondContact OD1-CA 3.26Å; E1453-R1462 IonicContact OE1-CZ 3.34Å; E1453-R1462 IonicContact OE1-NE 3.79Å; E1453-R1462 PolarHBondContact OE1-NE 2.61Å; E1453-R1462 IonicContact OE1-NH2 2.76Å; E1453-R1462 PolarHBondContact OE1-NH2 3.19Å; E1453-R1462 IonicContact OE2-NH2 2.79Å; K1456-R1462 HydrophobicContact CB-CG 4.29Å; K1456-R1462 HydrophobicContact CD-CG 4.4Å; K1456-R1462 HydrophobicContact CG-CG 4.33Å |
| 1463 | M | 94 | Very high | 92.8 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.069 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 141 | 167.1 | -67.3 | -60.4 | 134 | 0 | 0 | 111.1 | D1452 F1467 W1468 M1516 V1519 H1520 I1523 | D1452-M1463 WeakPolarHBondContact OD1-CG 3.35Å; D1452-M1463 PolarHBondContact OD1-N 3.29Å; M1463-F1467 HydrophobicContact CB-CB 4.13Å; M1463-F1467 HydrophobicContact CB-CD1 3.51Å; M1463-F1467 HydrophobicContact CB-CE1 4.04Å; M1463-F1467 HydrophobicContact CB-CG 3.86Å; M1463-F1467 HydrophobicContact CG-CD1 3.64Å; M1463-F1467 HydrophobicContact CG-CD2 4.27Å; M1463-F1467 HydrophobicContact CG-CE1 3.72Å; M1463-F1467 HydrophobicContact CG-CE2 4.32Å; M1463-F1467 HydrophobicContact CG-CG 3.93Å; M1463-F1467 HydrophobicContact CG-CZ 4.06Å; M1463-F1467 HydrophobicContact SD-CB 4.43Å; M1463-F1467 HydrophobicContact SD-CD1 4.19Å; M1463-F1467 HydrophobicContact SD-CD2 3.72Å; M1463-F1467 HydrophobicContact SD-CE1 4.38Å; M1463-F1467 HydrophobicContact SD-CE2 3.92Å; M1463-F1467 HydrophobicContact SD-CG 3.86Å; M1463-F1467 HydrophobicContact SD-CZ 4.24Å; M1463-W1468 HydrophobicContact CB-CZ2 4.23Å; M1463-M1516 HydrophobicContact CE-CE 3.95Å; M1463-M1516 HydrophobicContact CG-CE 3.43Å; M1463-M1516 VanDerWaalsContact CG-CE 3.43Å; M1463-M1516 HydrophobicContact SD-CE 4.29Å; M1463-V1519 HydrophobicContact CE-CB 4.4Å; M1463-V1519 HydrophobicContact CE-CG1 3.81Å; M1463-V1519 HydrophobicContact SD-CG1 3.64Å; M1463-H1520 WeakPolarHBondContact CE-CE1 3.27Å; M1463-H1520 WeakPolarHBondContact CE-NE2 3.31Å; M1463-I1523 HydrophobicContact CE-CD1 3.91Å; M1463-I1523 HydrophobicContact SD-CD1 4.28Å |
| 1464 | D | 90.5 | Very high | 91.7 | Very high | 70 Ų | 70 | 46.6 Ų | 46.6 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | trans | -86 | 177.4 | -178.5 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | F1466 F1467 W1468 | D1464-F1466 VanDerWaalsContact C-N 3.26Å; D1464-F1466 PolarHBondContact O-N 3.01Å; D1464-F1466 WeakPolarHBondContact OD1-CB 3.48Å; D1464-F1466 PolarHBondContact OD1-N 2.99Å; D1464-F1467 PolarHBondContact O-N 3.07Å; D1464-F1467 PolarHBondContact OD1-N 2.97Å; D1464-W1468 PolarHBondContact O-N 3.24Å | ||
| 1465 | N | 88.8 | Confident | 90.1 | Very high | 127 Ų | 127 | 51.1 Ų | 51.1 | 68% | 0.679 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.6 | -27.3 | 179.5 | -69.6 | -18.3 | 0 | 0 | 0 | 112.8 | N1469 | N1465-N1469 VanDerWaalsContact O-CB 3.29Å; N1465-N1469 WeakPolarHBondContact O-CB 3.25Å; N1465-N1469 PolarHBondContact O-N 3.41Å; N1465-N1469 PolarHBondContact O-ND2 3.03Å |
| 1466 | F | 91.7 | Very high | 87.6 | Confident | 60 Ų | 60 | 60 Ų | 60 | 26% | 0.263 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 177.4 | -179.3 | -82.8 | 0 | 0 | 0 | 109.9 | D1464 W1468 N1469 N1470 F1490 D1495 | D1464-F1466 VanDerWaalsContact C-N 3.26Å; D1464-F1466 PolarHBondContact O-N 3.01Å; D1464-F1466 WeakPolarHBondContact OD1-CB 3.48Å; D1464-F1466 PolarHBondContact OD1-N 2.99Å; F1466-W1468 PolarHBondContact O-N 3.42Å; F1466-N1469 PolarHBondContact O-N 2.59Å; F1466-N1470 HydrophobicContact CD1-CB 4.42Å; F1466-N1470 WeakPolarHBondContact CD2-ND2 3.41Å; F1466-N1470 HydrophobicContact CE1-CB 4.01Å; F1466-N1470 WeakPolarHBondContact CE2-ND2 3.37Å; F1466-N1470 HydrophobicContact CZ-CB 4.19Å; F1466-N1470 WeakPolarHBondContact O-CB 3.49Å; F1466-N1470 PolarHBondContact O-N 3.33Å; F1466-N1470 PolarHBondContact O-ND2 3.06Å; F1466-F1490 HydrophobicContact CE1-CD2 4.31Å; F1466-F1490 HydrophobicContact CE1-CE2 4.06Å; F1466-F1490 HydrophobicContact CZ-CE2 4.5Å; F1466-D1495 HydrophobicContact CD1-CB 3.77Å; F1466-D1495 HydrophobicContact CD2-CB 4.44Å; F1466-D1495 HydrophobicContact CE1-CB 3.5Å; F1466-D1495 VanDerWaalsContact CE1-CB 3.5Å; F1466-D1495 HydrophobicContact CE2-CB 4.17Å; F1466-D1495 HydrophobicContact CG-CB 4.26Å; F1466-D1495 HydrophobicContact CZ-CB 3.71Å |
| 1467 | F | 96.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.5 | -50.5 | 176.7 | 173.8 | -89.6 | 0 | 0 | 0 | 111.6 | M1463 D1464 N1469 N1470 S1471 F1473 F1496 I1498 M1516 V1519 | M1463-F1467 HydrophobicContact CB-CB 4.13Å; M1463-F1467 HydrophobicContact CB-CD1 3.51Å; M1463-F1467 HydrophobicContact CB-CE1 4.04Å; M1463-F1467 HydrophobicContact CB-CG 3.86Å; M1463-F1467 HydrophobicContact CG-CD1 3.64Å; M1463-F1467 HydrophobicContact CG-CD2 4.27Å; M1463-F1467 HydrophobicContact CG-CE1 3.72Å; M1463-F1467 HydrophobicContact CG-CE2 4.32Å; M1463-F1467 HydrophobicContact CG-CG 3.93Å; M1463-F1467 HydrophobicContact CG-CZ 4.06Å; M1463-F1467 HydrophobicContact SD-CB 4.43Å; M1463-F1467 HydrophobicContact SD-CD1 4.19Å; M1463-F1467 HydrophobicContact SD-CD2 3.72Å; M1463-F1467 HydrophobicContact SD-CE1 4.38Å; M1463-F1467 HydrophobicContact SD-CE2 3.92Å; M1463-F1467 HydrophobicContact SD-CG 3.86Å; M1463-F1467 HydrophobicContact SD-CZ 4.24Å; D1464-F1467 PolarHBondContact O-N 3.07Å; D1464-F1467 PolarHBondContact OD1-N 2.97Å; F1467-N1469 PolarHBondContact O-N 2.93Å; F1467-N1470 PolarHBondContact O-N 3.39Å; F1467-S1471 WeakPolarHBondContact O-CB 2.96Å; F1467-S1471 PolarHBondContact O-N 3.22Å; F1467-S1471 PolarHBondContact O-OG 2.86Å; F1467-F1473 HydrophobicContact CE1-CZ 4.05Å; F1467-F1496 WeakPolarHBondContact CA-O 3.3Å; F1467-I1498 HydrophobicContact CE2-CB 4.38Å; F1467-I1498 HydrophobicContact CE2-CD1 4.23Å; F1467-I1498 HydrophobicContact CE2-CG1 3.83Å; F1467-I1498 HydrophobicContact CE2-CG2 3.92Å; F1467-I1498 HydrophobicContact CZ-CD1 3.71Å; F1467-I1498 HydrophobicContact CZ-CG1 3.7Å; F1467-I1498 HydrophobicContact CZ-CG2 4.45Å; F1467-M1516 HydrophobicContact CE1-SD 4.48Å; F1467-M1516 HydrophobicContact CZ-CE 4.36Å; F1467-M1516 HydrophobicContact CZ-CG 3.96Å; F1467-M1516 HydrophobicContact CZ-SD 4.07Å; F1467-V1519 HydrophobicContact CD2-CG1 4.46Å; F1467-V1519 HydrophobicContact CE2-CG1 4.48Å; F1467-V1519 HydrophobicContact CE2-CG2 4.24Å |
| 1468 | W | 94.8 | Very high | 82.7 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 21% | 0.208 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.4 | -35.6 | -177.7 | -67.5 | 114.2 | 0 | 0 | 0 | 113.3 | L1445 A1448 R1449 D1452 M1463 D1464 F1466 F1473 | L1445-W1468 HydrophobicContact CD1-CE3 3.9Å; L1445-W1468 HydrophobicContact CD1-CZ3 3.83Å; A1448-W1468 HydrophobicContact CB-CH2 4.15Å; A1448-W1468 HydrophobicContact CB-CZ3 3.88Å; R1449-W1468 HydrophobicContact CB-CH2 4.49Å; R1449-W1468 HydrophobicContact CG-CH2 3.81Å; R1449-W1468 HydrophobicContact CG-CZ2 4.38Å; R1449-W1468 HydrophobicContact CG-CZ3 4.2Å; D1452-W1468 HydrophobicContact CB-CH2 4.3Å; D1452-W1468 HydrophobicContact CB-CZ2 3.87Å; M1463-W1468 HydrophobicContact CB-CZ2 4.23Å; D1464-W1468 PolarHBondContact O-N 3.24Å; F1466-W1468 PolarHBondContact O-N 3.42Å; W1468-F1473 HydrophobicContact CE3-CE2 4.01Å; W1468-F1473 AromaticContact CE3-CZ 3.64Å; W1468-F1473 HydrophobicContact CE3-CZ 3.64Å; W1468-F1473 HydrophobicContact CZ3-CE1 4.13Å; W1468-F1473 HydrophobicContact CZ3-CE2 4.39Å; W1468-F1473 AromaticContact CZ3-CZ 3.7Å; W1468-F1473 HydrophobicContact CZ3-CZ 3.7Å |
| 1469 | N | 89.9 | Confident | 80.2 | Confident | 134 Ų | 134 | 66.9 Ų | 66.9 | 72% | 0.717 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -78.7 | -26.2 | -178.8 | -71.9 | -15.9 | 0 | 0 | 0 | 113.4 | N1465 F1466 F1467 | N1465-N1469 VanDerWaalsContact O-CB 3.29Å; N1465-N1469 WeakPolarHBondContact O-CB 3.25Å; N1465-N1469 PolarHBondContact O-N 3.41Å; N1465-N1469 PolarHBondContact O-ND2 3.03Å; F1466-N1469 PolarHBondContact O-N 2.59Å; F1467-N1469 PolarHBondContact O-N 2.93Å |
| 1470 | N | 90 | Very high | 77.9 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 35% | 0.353 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -110.3 | -12.8 | -173 | -66.4 | -84.4 | 0 | 0 | 0 | 114.1 | W1191 F1466 F1467 | W1191-N1470 VanDerWaalsContact CZ2-O 3.25Å; W1191-N1470 WeakPolarHBondContact CZ2-O 2.9Å; F1466-N1470 HydrophobicContact CD1-CB 4.42Å; F1466-N1470 WeakPolarHBondContact CD2-ND2 3.41Å; F1466-N1470 HydrophobicContact CE1-CB 4.01Å; F1466-N1470 WeakPolarHBondContact CE2-ND2 3.37Å; F1466-N1470 HydrophobicContact CZ-CB 4.19Å; F1466-N1470 WeakPolarHBondContact O-CB 3.49Å; F1466-N1470 PolarHBondContact O-N 3.33Å; F1466-N1470 PolarHBondContact O-ND2 3.06Å; F1467-N1470 PolarHBondContact O-N 3.39Å |
| 1471 | S | 92.3 | Very high | 75.7 | Confident | 13 Ų | 13 | 83.4 Ų | 83.4 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -76.1 | 148.2 | 175.7 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | F1467 F1473 I1498 | F1467-S1471 WeakPolarHBondContact O-CB 2.96Å; F1467-S1471 PolarHBondContact O-N 3.22Å; F1467-S1471 PolarHBondContact O-OG 2.86Å; S1471-F1473 VanDerWaalsContact CB-CZ 3.41Å; S1471-I1498 CarbonylContact C-O 3.6Å; S1471-I1498 WeakPolarHBondContact CA-O 3.19Å; S1471-I1498 WeakPolarHBondContact CB-O 3.44Å; S1471-I1498 PolarHBondContact OG-N 3.36Å |
| 1472 | I | 87.7 | Confident | 74 | Confident | 26 Ų | 26 | 84.9 Ų | 84.9 | 13% | 0.133 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.5 | 179.3 | -61.7 | 163.6 | 0 | 0 | 0 | 108.8 | W1191 V1195 L1478 I1498 H1500 | W1191-I1472 HydrophobicContact CZ2-CD1 4.35Å; W1191-I1472 HydrophobicContact CZ2-CG1 4.5Å; V1195-I1472 HydrophobicContact CG2-CD1 3.96Å; I1472-L1478 HydrophobicContact CD1-CD1 4.13Å; I1472-L1478 HydrophobicContact CG2-CD1 3.59Å; I1472-I1498 PolarHBondContact N-O 3.17Å; I1472-H1500 PolarHBondContact O-N 3.36Å |
| 1473 | F | 86.5 | Confident | 72.6 | Confident | 40 Ų | 40 | 80.5 Ų | 80.5 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 90.8 | 176.2 | -51.3 | -81.7 | 0 | 0 | 0 | 109.9 | M1444 L1445 A1448 F1467 W1468 S1471 I1498 Y1512 | M1444-F1473 HydrophobicContact CB-CB 4.44Å; L1445-F1473 HydrophobicContact CD1-CD2 4.02Å; L1445-F1473 HydrophobicContact CD1-CE2 4.08Å; L1445-F1473 HydrophobicContact CD1-CG 4.32Å; L1445-F1473 HydrophobicContact CD1-CZ 4.45Å; A1448-F1473 HydrophobicContact CB-CD1 3.73Å; A1448-F1473 HydrophobicContact CB-CE1 3.38Å; A1448-F1473 HydrophobicContact CB-CZ 4.32Å; F1467-F1473 HydrophobicContact CE1-CZ 4.05Å; W1468-F1473 HydrophobicContact CE3-CE2 4.01Å; W1468-F1473 AromaticContact CE3-CZ 3.64Å; W1468-F1473 HydrophobicContact CE3-CZ 3.64Å; W1468-F1473 HydrophobicContact CZ3-CE1 4.13Å; W1468-F1473 HydrophobicContact CZ3-CE2 4.39Å; W1468-F1473 AromaticContact CZ3-CZ 3.7Å; W1468-F1473 HydrophobicContact CZ3-CZ 3.7Å; S1471-F1473 VanDerWaalsContact CB-CZ 3.41Å; F1473-I1498 HydrophobicContact CE1-CD1 4.02Å; F1473-I1498 HydrophobicContact CE1-CG1 4.28Å; F1473-Y1512 AromaticContact CD1-CE1 3.73Å; F1473-Y1512 HydrophobicContact CD1-CE1 3.73Å; F1473-Y1512 HydrophobicContact CE1-CE1 4.25Å |
| 1474 | G | 74.1 | Confident | 71.4 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.01 | 44% | 0.441 | C | S | . | . | S | Bend | trans | 91.8 | -170.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | M1444 H1500 C1501 | M1444-G1474 VanDerWaalsContact CE-CA 3.46Å; M1444-G1474 WeakPolarHBondContact SD-CA 3.31Å; G1474-H1500 PolarHBondContact N-O 3.25Å; G1474-C1501 PolarHBondContact O-SG 2.86Å; G1474-C1501 VanDerWaalsContact O-SG 3.32Å |
| 1475 | T | 61.3 | Low | 71.1 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 61% | 0.613 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -92.4 | 10 | -167.4 | 38.2 | 0 | 0 | 0 | 0 | 115.6 | G1477 C1501 | T1475-G1477 PolarHBondContact O-N 3.08Å; T1475-G1477 VanDerWaalsContact O-N 3.09Å; T1475-C1501 HydrophobicContact CG2-CB 4.08Å |
| 1476 | Q | 45.1 | Very low | 71.1 | Confident | 188 Ų | 188 | 78.6 Ų | 78.6 | 88% | 0.879 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -68.1 | 112.6 | -179.6 | -64.6 | -149.4 | -0.6 | 0 | 0 | 110.8 | L1478 | Q1476-L1478 PolarHBondContact O-N 3.42Š|
| 1477 | G | 44.3 | Very low | 71.2 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 89% | 0.887 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 90.9 | -13.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117 | T1475 | T1475-G1477 PolarHBondContact O-N 3.08Å; T1475-G1477 VanDerWaalsContact O-N 3.09Å |
| 1478 | L | 44 | Very low | 71 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 28% | 0.277 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -88.5 | 124.3 | 178.5 | -69.4 | 164.8 | 0 | 0 | 0 | 110.6 | V1195 I1472 Q1476 R1480 | V1195-L1478 WeakPolarHBondContact O-CD2 3.32Å; I1472-L1478 HydrophobicContact CD1-CD1 4.13Å; I1472-L1478 HydrophobicContact CG2-CD1 3.59Å; Q1476-L1478 PolarHBondContact O-N 3.42Å; L1478-R1480 PolarHBondContact O-N 2.88Å |
| 1479 | C | 42.1 | Very low | 71 | Confident | 116 Ų | 116 | 74.9 Ų | 74.9 | 78% | 0.784 | 41% | 0.405 | S | S | * | . | trans | -41.5 | 125.5 | 166.5 | -85.8 | 0 | 0 | 0 | 0 | 109.4 | K1481 | C1479-K1481 PolarHBondContact O-N 3.17Š| ||
| 1480 | R | 44.7 | Very low | 71.2 | Confident | 227 Ų | 227 | 69 Ų | 69 | 86% | 0.857 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -54.1 | 10.3 | -174.9 | -88.2 | -179.9 | 175.6 | 172.2 | -1.9 | 116.9 | L1478 E1482 | L1478-R1480 PolarHBondContact O-N 2.88Å; R1480-E1482 PolarHBondContact O-N 2.99Å |
| 1481 | K | 48.5 | Very low | 71.2 | Confident | 177 Ų | 177 | 68.1 Ų | 68.1 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -94.5 | 85 | 178.9 | -67 | -173.1 | 177.6 | -177.3 | 0 | 109.3 | K1197 C1479 | K1197-K1481 VanDerWaalsContact CD-O 3.28Å; K1197-K1481 WeakPolarHBondContact CD-O 3.45Å; C1479-K1481 PolarHBondContact O-N 3.17Å |
| 1482 | E | 54.6 | Low | 70.9 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | trans | 67.2 | 130.6 | 171.9 | -61.7 | 175 | 153.4 | 0 | 0 | 115.8 | K1197 K1270 R1480 | K1197-E1482 VanDerWaalsContact CD-O 3.24Å; K1197-E1482 WeakPolarHBondContact CD-O 3.17Å; K1197-E1482 WeakPolarHBondContact CE-O 3.4Å; K1197-E1482 VanDerWaalsContact NZ-C 3.26Å; K1197-E1482 PolarHBondContact NZ-O 2.95Å; K1270-E1482 WeakPolarHBondContact CE-OE2 3.32Å; K1270-E1482 IonicContact NZ-OE2 3.9Å; R1480-E1482 PolarHBondContact O-N 2.99Å | ||
| 1483 | C | 63.7 | Low | 70.7 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 31% | 0.311 | 37% | 0.374 | S | S | . | . | trans | -127.4 | 125.7 | 161.3 | 173.7 | 0 | 0 | 0 | 0 | 106.9 | C1501 | C1483-C1501 HydrophobicContact CB-CB 3.32Å; C1483-C1501 WeakPolarHBondContact CB-SG 3.47Å; C1483-C1501 WeakPolarHBondContact SG-CB 3.5Å; C1483-C1501 PolarHBondContact SG-N 2.72Å; C1483-C1501 VanDerWaalsContact SG-N 3.39Å; C1483-C1501 CovalentContact SG-SG 2Å; C1483-C1501 PolarHBondContact SG-SG 2.9Å | ||
| 1484 | Q | 69.1 | Low | 70.8 | Confident | 96 Ų | 96 | 73.1 Ų | 73.1 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | trans | -109.1 | 139.7 | -174.9 | -173 | 176.1 | -10.5 | 0 | 0 | 108.5 | V1486 Y1655 | Q1484-V1486 HydrophobicContact CB-CG2 4.35Å; Q1484-V1486 HydrophobicContact CG-CG2 4.31Å; Q1484-V1486 PolarHBondContact O-N 3.09Å; Q1484-Y1655 PolarHBondContact NE2-OH 3.48Å; Q1484-Y1655 PolarHBondContact OE1-OH 3.1Å | ||
| 1485 | S | 84.2 | Confident | 71.6 | Confident | 54 Ų | 54 | 75 Ų | 75 | 38% | 0.378 | 40% | 0.401 | S | S | . | . | trans | -64.2 | 112.3 | 171.3 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | S1499 H1500 | S1485-S1499 CarbonylContact C-O 3.54Å; S1485-S1499 WeakPolarHBondContact CA-O 3.43Å; S1485-H1500 PolarHBondContact OG-CE1 2.9Å; S1485-H1500 PolarHBondContact OG-ND1 3.29Å | ||
| 1486 | V | 88.5 | Confident | 73.2 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 13% | 0.127 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.9 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | V1194 Q1484 I1498 S1499 | V1194-V1486 HydrophobicContact CG2-CG2 4.49Å; Q1484-V1486 HydrophobicContact CB-CG2 4.35Å; Q1484-V1486 HydrophobicContact CG-CG2 4.31Å; Q1484-V1486 PolarHBondContact O-N 3.09Å; V1486-I1498 CarbonylContact O-C 3.59Å; V1486-I1498 WeakPolarHBondContact O-CA 3.24Å; V1486-S1499 PolarHBondContact N-O 2.97Å; V1486-S1499 PolarHBondContact O-N 3.02Å |
| 1487 | A | 92.9 | Very high | 75.6 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108 | I1498 L1515 H1518 V1519 F1522 | A1487-I1498 HydrophobicContact CB-CG2 4.05Å; A1487-L1515 HydrophobicContact CB-CD2 4.13Å; A1487-H1518 HydrophobicContact CB-CB 3.7Å; A1487-V1519 HydrophobicContact CB-CG2 4.22Å; A1487-F1522 HydrophobicContact CB-CE2 3.94Å; A1487-F1522 HydrophobicContact CB-CZ 4.37Å |
| 1488 | M | 93.6 | Very high | 78 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.054 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.4 | -171.3 | -174.5 | 63.7 | 90.8 | 0 | 0 | 112 | A1187 E1190 W1191 F1490 F1496 A1497 | A1187-M1488 HydrophobicContact CB-SD 3.9Å; A1187-M1488 WeakPolarHBondContact O-CE 3.42Å; E1190-M1488 HydrophobicContact CB-CE 3.76Å; E1190-M1488 HydrophobicContact CG-CE 3.64Å; W1191-M1488 HydrophobicContact CB-CE 4.3Å; W1191-M1488 HydrophobicContact CE3-CB 3.95Å; W1191-M1488 HydrophobicContact CE3-CE 4.38Å; W1191-M1488 HydrophobicContact CE3-CG 4.22Å; W1191-M1488 HydrophobicContact CZ3-CB 4.16Å; M1488-F1490 HydrophobicContact CB-CE2 4.28Å; M1488-F1490 HydrophobicContact CG-CD1 4.42Å; M1488-F1490 HydrophobicContact CG-CD2 4.17Å; M1488-F1490 HydrophobicContact CG-CE1 4.21Å; M1488-F1490 HydrophobicContact CG-CE2 3.94Å; M1488-F1490 HydrophobicContact CG-CG 4.42Å; M1488-F1490 HydrophobicContact CG-CZ 3.97Å; M1488-F1496 WeakPolarHBondContact O-CA 3.26Å; M1488-A1497 PolarHBondContact N-O 3.24Å; M1488-A1497 PolarHBondContact O-N 3.24Å |
| 1489 | D | 94.7 | Very high | 80.2 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.3 | 162.6 | -178.8 | -2.1 | 0 | 0 | 0 | 108.4 | A1187 Y1491 F1496 F1522 | A1187-D1489 WeakPolarHBondContact CB-O 3.21Å; D1489-Y1491 HydrophobicContact CB-CE2 4.44Å; D1489-Y1491 WeakPolarHBondContact O-CD2 3.44Å; D1489-Y1491 WeakPolarHBondContact O-CE2 3.18Å; D1489-Y1491 PolarHBondContact O-N 3.07Å; D1489-Y1491 WeakPolarHBondContact OD1-CA 3.43Å; D1489-Y1491 PolarHBondContact OD1-N 3.19Å; D1489-F1496 HydrophobicContact CB-CD1 4.24Å; D1489-F1496 HydrophobicContact CB-CE1 4.27Å; D1489-F1496 WeakPolarHBondContact OD1-CE1 3.3Å; D1489-F1522 HydrophobicContact CB-CB 4.17Å; D1489-F1522 HydrophobicContact CB-CD1 4.41Å; D1489-F1522 HydrophobicContact CB-CD2 3.8Å; D1489-F1522 HydrophobicContact CB-CE2 4.21Å; D1489-F1522 HydrophobicContact CB-CG 3.9Å |
| 1490 | F | 93.6 | Very high | 82.5 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | trans | -83.5 | 8.1 | 178 | -68.7 | -89.2 | 0 | 0 | 0 | 113.1 | Q1184 K1188 W1191 F1466 M1488 N1492 D1495 A1497 | Q1184-F1490 WeakPolarHBondContact CB-O 3.06Å; Q1184-F1490 VanDerWaalsContact CG-O 3.26Å; Q1184-F1490 WeakPolarHBondContact CG-O 3.45Å; K1188-F1490 HydrophobicContact CG-CD1 4.05Å; W1191-F1490 HydrophobicContact CB-CE1 3.67Å; W1191-F1490 HydrophobicContact CB-CZ 3.98Å; W1191-F1490 AromaticContact CD1-CE1 3.96Å; W1191-F1490 AromaticContact CD1-CZ 3.74Å; W1191-F1490 HydrophobicContact CD2-CE1 4.39Å; W1191-F1490 AromaticContact CD2-CZ 3.77Å; W1191-F1490 HydrophobicContact CD2-CZ 3.77Å; W1191-F1490 HydrophobicContact CE3-CZ 4.37Å; W1191-F1490 AromaticContact CG-CE1 3.71Å; W1191-F1490 HydrophobicContact CG-CE1 3.71Å; W1191-F1490 AromaticContact CG-CZ 3.54Å; W1191-F1490 HydrophobicContact CG-CZ 3.54Å; F1466-F1490 HydrophobicContact CE1-CD2 4.31Å; F1466-F1490 HydrophobicContact CE1-CE2 4.06Å; F1466-F1490 HydrophobicContact CZ-CE2 4.5Å; M1488-F1490 HydrophobicContact CB-CE2 4.28Å; M1488-F1490 HydrophobicContact CG-CD1 4.42Å; M1488-F1490 HydrophobicContact CG-CD2 4.17Å; M1488-F1490 HydrophobicContact CG-CE1 4.21Å; M1488-F1490 HydrophobicContact CG-CE2 3.94Å; M1488-F1490 HydrophobicContact CG-CG 4.42Å; M1488-F1490 HydrophobicContact CG-CZ 3.97Å; F1490-N1492 PolarHBondContact O-N 3.29Å; F1490-D1495 HydrophobicContact CB-CB 4.04Å; F1490-D1495 HydrophobicContact CD2-CB 3.99Å; F1490-D1495 WeakPolarHBondContact CD2-O 3.12Å; F1490-D1495 HydrophobicContact CG-CB 4.26Å; F1490-D1495 PolarHBondContact N-O 3.12Å; F1490-A1497 HydrophobicContact CE2-CB 3.74Å; F1490-A1497 HydrophobicContact CZ-CB 4.25Å | ||
| 1491 | Y | 90 | Very high | 84.1 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 18% | 0.184 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 59.9 | 9.1 | 175.9 | -68.5 | -89.9 | 0 | 0 | 0 | 115.7 | Q1180 Y1183 A1187 D1489 G1493 V1530 R1533 | Q1180-Y1491 WeakPolarHBondContact CG-O 3.39Å; Q1180-Y1491 PolarHBondContact NE2-O 3.36Å; Y1183-Y1491 AromaticContact CD1-CD1 3.98Å; Y1183-Y1491 HydrophobicContact CD1-CD1 3.98Å; Y1183-Y1491 HydrophobicContact CD1-CD2 4.19Å; Y1183-Y1491 AromaticContact CD1-CE1 3.48Å; Y1183-Y1491 HydrophobicContact CD1-CE1 3.48Å; Y1183-Y1491 VanDerWaalsContact CD1-CE1 3.48Å; Y1183-Y1491 AromaticContact CD1-CE2 3.71Å; Y1183-Y1491 HydrophobicContact CD1-CE2 3.71Å; Y1183-Y1491 HydrophobicContact CD1-CG 4.32Å; Y1183-Y1491 AromaticContact CD1-CZ 3.34Å; Y1183-Y1491 HydrophobicContact CE1-CE1 4.09Å; Y1183-Y1491 AromaticContact CE1-CZ 3.95Å; Y1183-Y1491 HydrophobicContact CG-CD1 4.19Å; Y1183-Y1491 HydrophobicContact CG-CE1 4.14Å; Y1183-Y1491 HydrophobicContact CG-CE2 4.47Å; Y1183-Y1491 HydrophobicContact CG-CG 4.4Å; A1187-Y1491 HydrophobicContact CB-CD2 4.1Å; A1187-Y1491 HydrophobicContact CB-CE2 4.46Å; D1489-Y1491 HydrophobicContact CB-CE2 4.44Å; D1489-Y1491 WeakPolarHBondContact O-CD2 3.44Å; D1489-Y1491 WeakPolarHBondContact O-CE2 3.18Å; D1489-Y1491 PolarHBondContact O-N 3.07Å; D1489-Y1491 WeakPolarHBondContact OD1-CA 3.43Å; D1489-Y1491 PolarHBondContact OD1-N 3.19Å; Y1491-G1493 VanDerWaalsContact C-N 3.33Å; Y1491-V1530 HydrophobicContact CD1-CG1 4.09Å; Y1491-V1530 HydrophobicContact CD1-CG2 4.4Å; Y1491-V1530 HydrophobicContact CE1-CG1 4.19Å; Y1491-R1533 HydrophobicContact CE1-CB 4.33Å; Y1491-R1533 PolarHBondContact O-NH1 3.3Å |
| 1492 | N | 85.7 | Confident | 85.5 | Confident | 46 Ų | 46 | 33 Ų | 33 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -89.7 | 0.1 | 170.9 | 68.1 | -0 | 0 | 0 | 0 | 113.6 | F1490 K1494 D1495 | F1490-N1492 PolarHBondContact O-N 3.29Å; N1492-K1494 VanDerWaalsContact C-N 3.29Å; N1492-K1494 PolarHBondContact O-N 2.78Å; N1492-K1494 PolarHBondContact OD1-N 3.27Å; N1492-K1494 VanDerWaalsContact OD1-N 3.09Å; N1492-D1495 PolarHBondContact ND2-OD2 3.46Å; N1492-D1495 WeakPolarHBondContact OD1-CB 3.47Å; N1492-D1495 PolarHBondContact OD1-N 2.84Å |
| 1493 | G | 83.9 | Confident | 86.8 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 19% | 0.186 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 77.5 | 8.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1491 | Y1491-G1493 VanDerWaalsContact C-N 3.33Š|
| 1494 | K | 87.4 | Confident | 87.9 | Confident | 120 Ų | 120 | 36.1 Ų | 36.1 | 52% | 0.522 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -139.3 | -40.9 | -177.6 | -63.6 | -176 | -178.5 | 179.4 | 0 | 113.7 | N1492 F1496 | N1492-K1494 VanDerWaalsContact C-N 3.29Å; N1492-K1494 PolarHBondContact O-N 2.78Å; N1492-K1494 PolarHBondContact OD1-N 3.27Å; N1492-K1494 VanDerWaalsContact OD1-N 3.09Å; K1494-F1496 VanDerWaalsContact C-CE2 3.42Å; K1494-F1496 WeakPolarHBondContact O-CD2 3.33Å; K1494-F1496 WeakPolarHBondContact O-CE2 3.25Å |
| 1495 | D | 91.5 | Very high | 88.7 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | trans | -87.6 | 125.4 | -175.8 | -65.9 | -8.2 | 0 | 0 | 0 | 109.5 | F1466 F1490 N1492 | F1466-D1495 HydrophobicContact CD1-CB 3.77Å; F1466-D1495 HydrophobicContact CD2-CB 4.44Å; F1466-D1495 HydrophobicContact CE1-CB 3.5Å; F1466-D1495 VanDerWaalsContact CE1-CB 3.5Å; F1466-D1495 HydrophobicContact CE2-CB 4.17Å; F1466-D1495 HydrophobicContact CG-CB 4.26Å; F1466-D1495 HydrophobicContact CZ-CB 3.71Å; F1490-D1495 HydrophobicContact CB-CB 4.04Å; F1490-D1495 HydrophobicContact CD2-CB 3.99Å; F1490-D1495 WeakPolarHBondContact CD2-O 3.12Å; F1490-D1495 HydrophobicContact CG-CB 4.26Å; F1490-D1495 PolarHBondContact N-O 3.12Å; N1492-D1495 PolarHBondContact ND2-OD2 3.46Å; N1492-D1495 WeakPolarHBondContact OD1-CB 3.47Å; N1492-D1495 PolarHBondContact OD1-N 2.84Å | ||
| 1496 | F | 95.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.044 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.6 | 176.2 | -49.8 | -80.4 | 0 | 0 | 0 | 108.9 | F1467 M1488 D1489 K1494 V1519 F1522 I1523 | F1467-F1496 WeakPolarHBondContact CA-O 3.3Å; M1488-F1496 WeakPolarHBondContact O-CA 3.26Å; D1489-F1496 HydrophobicContact CB-CD1 4.24Å; D1489-F1496 HydrophobicContact CB-CE1 4.27Å; D1489-F1496 WeakPolarHBondContact OD1-CE1 3.3Å; K1494-F1496 VanDerWaalsContact C-CE2 3.42Å; K1494-F1496 WeakPolarHBondContact O-CD2 3.33Å; K1494-F1496 WeakPolarHBondContact O-CE2 3.25Å; F1496-V1519 HydrophobicContact CB-CG1 3.62Å; F1496-V1519 HydrophobicContact CB-CG2 4.49Å; F1496-V1519 HydrophobicContact CG-CG1 4.12Å; F1496-F1522 HydrophobicContact CD1-CB 3.5Å; F1496-F1522 VanDerWaalsContact CD1-CB 3.5Å; F1496-F1522 HydrophobicContact CD1-CD2 4.07Å; F1496-F1522 HydrophobicContact CD1-CG 4.27Å; F1496-F1522 HydrophobicContact CE1-CB 3.41Å; F1496-F1522 VanDerWaalsContact CE1-CB 3.41Å; F1496-F1522 HydrophobicContact CZ-CB 4.36Å; F1496-I1523 HydrophobicContact CD2-CD1 4.33Å; F1496-I1523 HydrophobicContact CD2-CG1 3.63Å; F1496-I1523 HydrophobicContact CE2-CB 4.42Å; F1496-I1523 HydrophobicContact CE2-CG1 3.48Å; F1496-I1523 VanDerWaalsContact CE2-CG1 3.48Å; F1496-I1523 HydrophobicContact CG-CG1 4.32Å; F1496-I1523 HydrophobicContact CZ-CG1 4.06Å |
| 1497 | A | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W1191 M1488 F1490 | W1191-A1497 HydrophobicContact CH2-CB 3.78Å; W1191-A1497 HydrophobicContact CZ2-CB 3.79Å; W1191-A1497 HydrophobicContact CZ3-CB 4.27Å; M1488-A1497 PolarHBondContact N-O 3.24Å; M1488-A1497 PolarHBondContact O-N 3.24Å; F1490-A1497 HydrophobicContact CE2-CB 3.74Å; F1490-A1497 HydrophobicContact CZ-CB 4.25Å |
| 1498 | I | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151 | 171.7 | 62.7 | 170.8 | 0 | 0 | 0 | 111.2 | F1467 S1471 I1472 F1473 V1486 A1487 Y1512 L1515 M1516 V1519 | F1467-I1498 HydrophobicContact CE2-CB 4.38Å; F1467-I1498 HydrophobicContact CE2-CD1 4.23Å; F1467-I1498 HydrophobicContact CE2-CG1 3.83Å; F1467-I1498 HydrophobicContact CE2-CG2 3.92Å; F1467-I1498 HydrophobicContact CZ-CD1 3.71Å; F1467-I1498 HydrophobicContact CZ-CG1 3.7Å; F1467-I1498 HydrophobicContact CZ-CG2 4.45Å; S1471-I1498 CarbonylContact C-O 3.6Å; S1471-I1498 WeakPolarHBondContact CA-O 3.19Å; S1471-I1498 WeakPolarHBondContact CB-O 3.44Å; S1471-I1498 PolarHBondContact OG-N 3.36Å; I1472-I1498 PolarHBondContact N-O 3.17Å; F1473-I1498 HydrophobicContact CE1-CD1 4.02Å; F1473-I1498 HydrophobicContact CE1-CG1 4.28Å; V1486-I1498 CarbonylContact O-C 3.59Å; V1486-I1498 WeakPolarHBondContact O-CA 3.24Å; A1487-I1498 HydrophobicContact CB-CG2 4.05Å; I1498-Y1512 HydrophobicContact CD1-CD1 3.9Å; I1498-Y1512 HydrophobicContact CD1-CE1 4.21Å; I1498-L1515 HydrophobicContact CB-CB 4.38Å; I1498-L1515 HydrophobicContact CB-CD1 4.48Å; I1498-L1515 HydrophobicContact CD1-CB 4.38Å; I1498-L1515 HydrophobicContact CG2-CB 3.91Å; I1498-M1516 HydrophobicContact CD1-CG 4.18Å; I1498-V1519 HydrophobicContact CG2-CG2 3.6Å |
| 1499 | S | 90.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.6 | 168.5 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | S1485 V1486 | S1485-S1499 CarbonylContact C-O 3.54Å; S1485-S1499 WeakPolarHBondContact CA-O 3.43Å; V1486-S1499 PolarHBondContact N-O 2.97Å; V1486-S1499 PolarHBondContact O-N 3.02Å |
| 1500 | H | 89.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 35 Ų | 35 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 131.6 | 174.1 | -176.5 | 56.6 | 0 | 0 | 0 | 111 | I1472 G1474 S1485 D1508 T1511 Y1512 L1515 | I1472-H1500 PolarHBondContact O-N 3.36Å; G1474-H1500 PolarHBondContact N-O 3.25Å; S1485-H1500 PolarHBondContact OG-CE1 2.9Å; S1485-H1500 PolarHBondContact OG-ND1 3.29Å; H1500-D1508 IonicContact CE1-OD1 3.37Å; H1500-D1508 IonicContact NE2-OD1 3.89Å; H1500-D1508 PolarHBondContact NE2-OD1 3.27Å; H1500-T1511 VanDerWaalsContact CE1-CG2 3.41Å; H1500-T1511 WeakPolarHBondContact CE1-CG2 3.32Å; H1500-Y1512 HydrophobicContact CB-CE1 3.94Å; H1500-Y1512 AromaticContact CD2-CE1 3.94Å; H1500-Y1512 AromaticContact CD2-CE2 3.6Å; H1500-Y1512 AromaticContact CD2-CZ 3.52Å; H1500-Y1512 PolarHBondContact O-OH 3.47Å; H1500-L1515 HydrophobicContact CB-CD1 3.66Å |
| 1501 | C | 78.7 | Confident | 88.2 | Confident | 30 Ų | 30 | 36 Ų | 36 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | trans | -123 | 73.3 | 177.1 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | G1474 T1475 C1483 | G1474-C1501 PolarHBondContact O-SG 2.86Å; G1474-C1501 VanDerWaalsContact O-SG 3.32Å; T1475-C1501 HydrophobicContact CG2-CB 4.08Å; C1483-C1501 HydrophobicContact CB-CB 3.32Å; C1483-C1501 WeakPolarHBondContact CB-SG 3.47Å; C1483-C1501 WeakPolarHBondContact SG-CB 3.5Å; C1483-C1501 PolarHBondContact SG-N 2.72Å; C1483-C1501 VanDerWaalsContact SG-N 3.39Å; C1483-C1501 CovalentContact SG-SG 2Å; C1483-C1501 PolarHBondContact SG-SG 2.9Å | ||
| 1502 | G | 78.3 | Confident | 88.4 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | trans | -88.3 | -169.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | D1508 | G1502-D1508 VanDerWaalsContact CA-CG 3.47Å; G1502-D1508 VanDerWaalsContact CA-OD1 3.32Å; G1502-D1508 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 1503 | R | 81.7 | Confident | 88.9 | Confident | 165 Ų | 165 | 31.6 Ų | 31.6 | 62% | 0.623 | 16% | 0.162 | S | C | * | . | trans | -111.1 | 176.4 | 164.3 | -61.3 | -179.7 | -174.8 | 170.1 | 4.4 | 108.2 | M1447 S1505 D1508 | M1447-R1503 VanDerWaalsContact CE-O 3.27Å; M1447-R1503 WeakPolarHBondContact CE-O 3.05Å; R1503-S1505 PolarHBondContact O-N 3.48Å; R1503-S1505 VanDerWaalsContact O-N 3.07Å; R1503-D1508 PolarHBondContact N-OD2 2.79Å; R1503-D1508 WeakPolarHBondContact O-CB 3.29Å | ||
| 1504 | V | 87.7 | Confident | 89.4 | Confident | 37 Ų | 37 | 34.1 Ų | 34.1 | 22% | 0.224 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -73.6 | 102.4 | 169 | 180 | 0 | 0 | 0 | 0 | 106.7 | T1434 M1437 I1438 Y1442 | T1434-V1504 WeakPolarHBondContact CG2-O 3.45Å; M1437-V1504 HydrophobicContact CB-CG1 3.86Å; M1437-V1504 HydrophobicContact CE-CG1 4.26Å; I1438-V1504 HydrophobicContact CG1-CB 4.37Å; I1438-V1504 HydrophobicContact CG1-CG1 4.06Å; Y1442-V1504 VanDerWaalsContact O-CG2 3.22Å; Y1442-V1504 WeakPolarHBondContact O-CG2 3.35Å |
| 1505 | S | 86.3 | Confident | 89.8 | Confident | 19 Ų | 19 | 29 Ų | 29 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -154.2 | 156.7 | 179.8 | 77.8 | 0 | 0 | 0 | 0 | 110.7 | R1503 Q1507 D1508 L1509 | R1503-S1505 PolarHBondContact O-N 3.48Å; R1503-S1505 VanDerWaalsContact O-N 3.07Å; S1505-Q1507 PolarHBondContact O-N 3.2Å; S1505-Q1507 PolarHBondContact OG-N 3.36Å; S1505-D1508 PolarHBondContact O-N 2.97Å; S1505-D1508 WeakPolarHBondContact OG-CB 3.43Å; S1505-D1508 VanDerWaalsContact OG-CG 3.25Å; S1505-D1508 PolarHBondContact OG-N 2.94Å; S1505-D1508 PolarHBondContact OG-OD2 3.05Å; S1505-L1509 PolarHBondContact O-N 3.41Å |
| 1506 | L | 85.7 | Confident | 90.1 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -34 | 174.3 | -178 | 64.1 | 0 | 0 | 0 | 112 | F1429 V1430 A1433 T1434 L1509 A1510 T1553 M1558 | F1429-L1506 HydrophobicContact CE2-CD2 4.28Å; V1430-L1506 HydrophobicContact CG1-CB 4.42Å; V1430-L1506 HydrophobicContact CG1-CD2 4.49Å; V1430-L1506 HydrophobicContact CG2-CD2 4.48Å; A1433-L1506 HydrophobicContact CB-CB 4.45Å; A1433-L1506 HydrophobicContact CB-CD2 4.11Å; T1434-L1506 PolarHBondContact OG1-N 2.92Å; L1506-L1509 HydrophobicContact CD1-CD2 4.31Å; L1506-L1509 PolarHBondContact O-N 3.44Å; L1506-A1510 PolarHBondContact O-N 3.11Å; L1506-T1553 HydrophobicContact CD1-CG2 4.48Å; L1506-M1558 HydrophobicContact CD1-CG 4.34Å; L1506-M1558 HydrophobicContact CD1-SD 3.86Å; L1506-M1558 HydrophobicContact CD2-SD 3.6Å; L1506-M1558 HydrophobicContact CG-SD 4.4Å |
| 1507 | Q | 85.1 | Confident | 90.1 | Very high | 119 Ų | 119 | 26.7 Ų | 26.7 | 56% | 0.556 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -68.8 | -40.5 | 179.1 | -170.5 | 173 | 26.5 | 0 | 0 | 112.1 | S1505 A1510 T1511 | S1505-Q1507 PolarHBondContact O-N 3.2Å; S1505-Q1507 PolarHBondContact OG-N 3.36Å; Q1507-A1510 PolarHBondContact O-N 3.33Å; Q1507-T1511 PolarHBondContact O-N 3.16Å; Q1507-T1511 PolarHBondContact O-OG1 2.99Å |
| 1508 | D | 88.7 | Confident | 90.1 | Very high | 25 Ų | 25 | 28 Ų | 28 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.8 | -33.6 | 176.8 | -65.1 | -53.3 | 0 | 0 | 0 | 111.4 | M1447 H1500 G1502 R1503 S1505 T1511 Y1512 | M1447-D1508 HydrophobicContact CE-CB 4.25Å; M1447-D1508 HydrophobicContact SD-CB 4.5Å; H1500-D1508 IonicContact CE1-OD1 3.37Å; H1500-D1508 IonicContact NE2-OD1 3.89Å; H1500-D1508 PolarHBondContact NE2-OD1 3.27Å; G1502-D1508 VanDerWaalsContact CA-CG 3.47Å; G1502-D1508 VanDerWaalsContact CA-OD1 3.32Å; G1502-D1508 WeakPolarHBondContact CA-OD1 3.47Å; R1503-D1508 PolarHBondContact N-OD2 2.79Å; R1503-D1508 WeakPolarHBondContact O-CB 3.29Å; S1505-D1508 PolarHBondContact O-N 2.97Å; S1505-D1508 WeakPolarHBondContact OG-CB 3.43Å; S1505-D1508 VanDerWaalsContact OG-CG 3.25Å; S1505-D1508 PolarHBondContact OG-N 2.94Å; S1505-D1508 PolarHBondContact OG-OD2 3.05Å; D1508-T1511 WeakPolarHBondContact O-CA 3.45Å; D1508-T1511 WeakPolarHBondContact O-CB 3.33Å; D1508-T1511 PolarHBondContact O-N 3.47Å; D1508-T1511 VanDerWaalsContact O-N 3.12Å; D1508-Y1512 VanDerWaalsContact O-CD2 3.23Å; D1508-Y1512 WeakPolarHBondContact O-CD2 3.15Å; D1508-Y1512 PolarHBondContact O-N 2.96Å |
| 1509 | L | 92.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 169.4 | -179.7 | 67.1 | 0 | 0 | 0 | 111.3 | M1437 M1447 E1450 S1505 L1506 T1511 Y1512 H1513 L1563 | M1437-L1509 HydrophobicContact CE-CB 3.88Å; M1437-L1509 HydrophobicContact CE-CD2 4.11Å; M1437-L1509 HydrophobicContact CE-CG 4.39Å; M1437-L1509 HydrophobicContact SD-CD2 4.31Å; M1447-L1509 HydrophobicContact CB-CD1 3.77Å; M1447-L1509 HydrophobicContact CG-CB 4.48Å; M1447-L1509 HydrophobicContact CG-CD1 3.91Å; M1447-L1509 HydrophobicContact SD-CB 4.01Å; E1450-L1509 HydrophobicContact CB-CD1 4.28Å; S1505-L1509 PolarHBondContact O-N 3.41Å; L1506-L1509 HydrophobicContact CD1-CD2 4.31Å; L1506-L1509 PolarHBondContact O-N 3.44Å; L1509-T1511 VanDerWaalsContact C-N 3.25Å; L1509-T1511 PolarHBondContact O-N 2.81Å; L1509-Y1512 PolarHBondContact O-N 3.29Å; L1509-H1513 PolarHBondContact O-N 3.13Å; L1509-H1513 PolarHBondContact O-ND1 2.89Å; L1509-L1563 HydrophobicContact CD2-CD1 4.23Å |
| 1510 | A | 91.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 28 Ų | 28 | 12% | 0.116 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1506 Q1507 H1513 R1514 T1553 | L1506-A1510 PolarHBondContact O-N 3.11Å; Q1507-A1510 PolarHBondContact O-N 3.33Å; A1510-H1513 PolarHBondContact O-N 2.65Å; A1510-R1514 VanDerWaalsContact O-CG 3.29Å; A1510-R1514 WeakPolarHBondContact O-CG 3.37Å; A1510-R1514 PolarHBondContact O-N 3.46Å; A1510-T1553 HydrophobicContact CB-CG2 3.76Å |
| 1511 | T | 91.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 18% | 0.184 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 112 | H1500 Q1507 D1508 L1509 H1513 R1514 L1515 | H1500-T1511 VanDerWaalsContact CE1-CG2 3.41Å; H1500-T1511 WeakPolarHBondContact CE1-CG2 3.32Å; Q1507-T1511 PolarHBondContact O-N 3.16Å; Q1507-T1511 PolarHBondContact O-OG1 2.99Å; D1508-T1511 WeakPolarHBondContact O-CA 3.45Å; D1508-T1511 WeakPolarHBondContact O-CB 3.33Å; D1508-T1511 PolarHBondContact O-N 3.47Å; D1508-T1511 VanDerWaalsContact O-N 3.12Å; L1509-T1511 VanDerWaalsContact C-N 3.25Å; L1509-T1511 PolarHBondContact O-N 2.81Å; T1511-H1513 PolarHBondContact O-N 2.82Å; T1511-R1514 PolarHBondContact O-N 3.03Å; T1511-L1515 HydrophobicContact CG2-CD1 4.13Å; T1511-L1515 HydrophobicContact CG2-CG 4.33Å; T1511-L1515 WeakPolarHBondContact O-CG 3.19Å; T1511-L1515 PolarHBondContact O-N 3.49Å |
| 1512 | Y | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 173.1 | -80.7 | -64.6 | 0 | 0 | 0 | 112.3 | M1444 M1447 A1448 F1473 I1498 H1500 D1508 L1509 R1514 L1515 M1516 | M1444-Y1512 HydrophobicContact CB-CE2 4.45Å; M1447-Y1512 HydrophobicContact CB-CD2 3.61Å; M1447-Y1512 HydrophobicContact CB-CE2 3.99Å; M1447-Y1512 HydrophobicContact CB-CG 4.44Å; M1447-Y1512 HydrophobicContact CE-CD2 4.17Å; M1447-Y1512 HydrophobicContact CE-CE2 3.71Å; A1448-Y1512 HydrophobicContact CB-CD1 3.92Å; A1448-Y1512 HydrophobicContact CB-CE1 4.19Å; A1448-Y1512 HydrophobicContact CB-CG 4.35Å; F1473-Y1512 AromaticContact CD1-CE1 3.73Å; F1473-Y1512 HydrophobicContact CD1-CE1 3.73Å; F1473-Y1512 HydrophobicContact CE1-CE1 4.25Å; I1498-Y1512 HydrophobicContact CD1-CD1 3.9Å; I1498-Y1512 HydrophobicContact CD1-CE1 4.21Å; H1500-Y1512 HydrophobicContact CB-CE1 3.94Å; H1500-Y1512 AromaticContact CD2-CE1 3.94Å; H1500-Y1512 AromaticContact CD2-CE2 3.6Å; H1500-Y1512 AromaticContact CD2-CZ 3.52Å; H1500-Y1512 PolarHBondContact O-OH 3.47Å; D1508-Y1512 VanDerWaalsContact O-CD2 3.23Å; D1508-Y1512 WeakPolarHBondContact O-CD2 3.15Å; D1508-Y1512 PolarHBondContact O-N 2.96Å; L1509-Y1512 PolarHBondContact O-N 3.29Å; Y1512-R1514 VanDerWaalsContact C-N 3.34Å; Y1512-R1514 PolarHBondContact O-N 3.44Å; Y1512-L1515 PolarHBondContact O-N 3.33Å; Y1512-M1516 WeakPolarHBondContact O-CB 3.31Å; Y1512-M1516 WeakPolarHBondContact O-CG 3.4Å; Y1512-M1516 PolarHBondContact O-N 2.85Å |
| 1513 | H | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.1 | -73 | 79.8 | 0 | 0 | 0 | 112.4 | A1451 F1454 F1455 L1509 A1510 T1511 A1517 I1548 V1552 | A1451-H1513 WeakPolarHBondContact CA-NE2 3.2Å; A1451-H1513 HydrophobicContact CB-CB 4.47Å; F1454-H1513 AromaticContact CG-CD2 3.9Å; F1455-H1513 WeakPolarHBondContact CZ-O 3.48Å; L1509-H1513 PolarHBondContact O-N 3.13Å; L1509-H1513 PolarHBondContact O-ND1 2.89Å; A1510-H1513 PolarHBondContact O-N 2.65Å; T1511-H1513 PolarHBondContact O-N 2.82Å; H1513-A1517 WeakPolarHBondContact O-CB 3.44Å; H1513-A1517 PolarHBondContact O-N 3.31Å; H1513-I1548 HydrophobicContact CB-CG2 4.26Å; H1513-V1552 HydrophobicContact CB-CG2 3.99Å; H1513-V1552 WeakPolarHBondContact CD2-CG2 3.2Å |
| 1514 | R | 94.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 20.2 Ų | 20.2 | 27% | 0.272 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -61.2 | -51.7 | 174.4 | -74.5 | 175.9 | 61.1 | 83 | 6.3 | 111.3 | A1510 T1511 Y1512 M1516 A1517 H1518 E1542 A1545 | A1510-R1514 VanDerWaalsContact O-CG 3.29Å; A1510-R1514 WeakPolarHBondContact O-CG 3.37Å; A1510-R1514 PolarHBondContact O-N 3.46Å; T1511-R1514 PolarHBondContact O-N 3.03Å; Y1512-R1514 VanDerWaalsContact C-N 3.34Å; Y1512-R1514 PolarHBondContact O-N 3.44Å; R1514-M1516 VanDerWaalsContact C-N 3.32Å; R1514-M1516 PolarHBondContact O-N 3Å; R1514-A1517 WeakPolarHBondContact O-CA 3.37Å; R1514-A1517 VanDerWaalsContact O-CB 3.26Å; R1514-A1517 WeakPolarHBondContact O-CB 3.39Å; R1514-A1517 PolarHBondContact O-N 3.35Å; R1514-A1517 VanDerWaalsContact O-N 3.08Å; R1514-H1518 PolarHBondContact O-CD2 3.32Å; R1514-H1518 PolarHBondContact O-N 2.93Å; R1514-H1518 VanDerWaalsContact O-N 3.12Å; R1514-E1542 IonicContact CZ-OE2 3.68Å; R1514-E1542 IonicContact NH2-OE2 2.79Å; R1514-E1542 PolarHBondContact NH2-OE2 2.86Å; R1514-A1545 HydrophobicContact CB-CB 4.08Å; R1514-A1545 HydrophobicContact CG-CB 4.12Å |
| 1515 | L | 95.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 6% | 0.058 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 179.3 | -70.4 | 174.8 | 0 | 0 | 0 | 112 | A1487 I1498 H1500 T1511 Y1512 A1517 H1518 V1519 | A1487-L1515 HydrophobicContact CB-CD2 4.13Å; I1498-L1515 HydrophobicContact CB-CB 4.38Å; I1498-L1515 HydrophobicContact CB-CD1 4.48Å; I1498-L1515 HydrophobicContact CD1-CB 4.38Å; I1498-L1515 HydrophobicContact CG2-CB 3.91Å; H1500-L1515 HydrophobicContact CB-CD1 3.66Å; T1511-L1515 HydrophobicContact CG2-CD1 4.13Å; T1511-L1515 HydrophobicContact CG2-CG 4.33Å; T1511-L1515 WeakPolarHBondContact O-CG 3.19Å; T1511-L1515 PolarHBondContact O-N 3.49Å; Y1512-L1515 PolarHBondContact O-N 3.33Å; L1515-A1517 VanDerWaalsContact C-N 3.33Å; L1515-H1518 WeakPolarHBondContact O-CB 3.43Å; L1515-H1518 PolarHBondContact O-N 2.95Å; L1515-V1519 PolarHBondContact O-N 2.81Å; L1515-V1519 VanDerWaalsContact O-N 3.1Å |
| 1516 | M | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.9 | -26.4 | 176.2 | -71 | -176.9 | 61.9 | 0 | 0 | 112.8 | A1451 D1452 F1455 M1463 F1467 I1498 Y1512 R1514 H1518 V1519 H1520 | A1451-M1516 HydrophobicContact CB-CE 4.27Å; A1451-M1516 HydrophobicContact CB-CG 4.48Å; A1451-M1516 HydrophobicContact CB-SD 3.46Å; A1451-M1516 WeakPolarHBondContact CB-SD 3.44Å; D1452-M1516 HydrophobicContact CB-CE 3.81Å; F1455-M1516 HydrophobicContact CD2-CB 4.04Å; F1455-M1516 HydrophobicContact CD2-CE 4.38Å; F1455-M1516 HydrophobicContact CE2-CB 3.5Å; F1455-M1516 HydrophobicContact CZ-CB 4.4Å; M1463-M1516 HydrophobicContact CE-CE 3.95Å; M1463-M1516 HydrophobicContact CG-CE 3.43Å; M1463-M1516 VanDerWaalsContact CG-CE 3.43Å; M1463-M1516 HydrophobicContact SD-CE 4.29Å; F1467-M1516 HydrophobicContact CE1-SD 4.48Å; F1467-M1516 HydrophobicContact CZ-CE 4.36Å; F1467-M1516 HydrophobicContact CZ-CG 3.96Å; F1467-M1516 HydrophobicContact CZ-SD 4.07Å; I1498-M1516 HydrophobicContact CD1-CG 4.18Å; Y1512-M1516 WeakPolarHBondContact O-CB 3.31Å; Y1512-M1516 WeakPolarHBondContact O-CG 3.4Å; Y1512-M1516 PolarHBondContact O-N 2.85Å; R1514-M1516 VanDerWaalsContact C-N 3.32Å; R1514-M1516 PolarHBondContact O-N 3Å; M1516-H1518 VanDerWaalsContact C-N 3.33Å; M1516-V1519 PolarHBondContact O-N 3.48Å; M1516-H1520 PolarHBondContact O-CD2 3.17Å; M1516-H1520 PolarHBondContact O-N 2.86Å |
| 1517 | A | 95.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1455 H1513 R1514 L1515 H1520 Y1521 A1545 I1548 | F1455-A1517 HydrophobicContact CE1-CB 4.28Å; F1455-A1517 HydrophobicContact CZ-CB 3.76Å; H1513-A1517 WeakPolarHBondContact O-CB 3.44Å; H1513-A1517 PolarHBondContact O-N 3.31Å; R1514-A1517 WeakPolarHBondContact O-CA 3.37Å; R1514-A1517 VanDerWaalsContact O-CB 3.26Å; R1514-A1517 WeakPolarHBondContact O-CB 3.39Å; R1514-A1517 PolarHBondContact O-N 3.35Å; R1514-A1517 VanDerWaalsContact O-N 3.08Å; L1515-A1517 VanDerWaalsContact C-N 3.33Å; A1517-H1520 PolarHBondContact O-N 3.42Å; A1517-Y1521 PolarHBondContact O-N 2.87Å; A1517-A1545 HydrophobicContact CB-CB 4.16Å; A1517-I1548 HydrophobicContact CB-CG1 4.21Å |
| 1518 | H | 95.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 13% | 0.13 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 172 | -67.8 | -89.2 | 0 | 0 | 0 | 110.8 | A1487 R1514 L1515 M1516 H1520 Y1521 F1522 H1541 | A1487-H1518 HydrophobicContact CB-CB 3.7Å; R1514-H1518 PolarHBondContact O-CD2 3.32Å; R1514-H1518 PolarHBondContact O-N 2.93Å; R1514-H1518 VanDerWaalsContact O-N 3.12Å; L1515-H1518 WeakPolarHBondContact O-CB 3.43Å; L1515-H1518 PolarHBondContact O-N 2.95Å; M1516-H1518 VanDerWaalsContact C-N 3.33Å; H1518-H1520 PolarHBondContact O-N 3.03Å; H1518-Y1521 WeakPolarHBondContact O-CA 3.27Å; H1518-Y1521 VanDerWaalsContact O-CB 3.25Å; H1518-Y1521 WeakPolarHBondContact O-CB 3.2Å; H1518-Y1521 PolarHBondContact O-N 2.93Å; H1518-Y1521 VanDerWaalsContact O-N 3.08Å; H1518-F1522 HydrophobicContact CB-CE1 4.41Å; H1518-F1522 HydrophobicContact CB-CE2 4.36Å; H1518-F1522 HydrophobicContact CB-CZ 4.08Å; H1518-F1522 WeakPolarHBondContact O-CD1 3.45Å; H1518-F1522 WeakPolarHBondContact O-CG 3.28Å; H1518-F1522 PolarHBondContact O-N 3.33Å; H1518-H1541 AromaticContact ND1-CG 3.77Å; H1518-H1541 AromaticContact ND1-ND1 3.41Å; H1518-H1541 PolarHBondContact ND1-ND1 3.42Å |
| 1519 | V | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | M1463 F1467 A1487 F1496 I1498 L1515 M1516 Y1521 F1522 I1523 | M1463-V1519 HydrophobicContact CE-CB 4.4Å; M1463-V1519 HydrophobicContact CE-CG1 3.81Å; M1463-V1519 HydrophobicContact SD-CG1 3.64Å; F1467-V1519 HydrophobicContact CD2-CG1 4.46Å; F1467-V1519 HydrophobicContact CE2-CG1 4.48Å; F1467-V1519 HydrophobicContact CE2-CG2 4.24Å; A1487-V1519 HydrophobicContact CB-CG2 4.22Å; F1496-V1519 HydrophobicContact CB-CG1 3.62Å; F1496-V1519 HydrophobicContact CB-CG2 4.49Å; F1496-V1519 HydrophobicContact CG-CG1 4.12Å; I1498-V1519 HydrophobicContact CG2-CG2 3.6Å; L1515-V1519 PolarHBondContact O-N 2.81Å; L1515-V1519 VanDerWaalsContact O-N 3.1Å; M1516-V1519 PolarHBondContact O-N 3.48Å; V1519-Y1521 VanDerWaalsContact C-N 3.28Å; V1519-Y1521 PolarHBondContact O-N 3.42Å; V1519-F1522 HydrophobicContact CG2-CD2 4.39Å; V1519-F1522 WeakPolarHBondContact O-CA 3.27Å; V1519-F1522 VanDerWaalsContact O-CB 3.31Å; V1519-F1522 WeakPolarHBondContact O-CB 3.47Å; V1519-F1522 PolarHBondContact O-N 3.48Å; V1519-F1522 VanDerWaalsContact O-N 3.07Å; V1519-I1523 HydrophobicContact CG1-CD1 3.86Å; V1519-I1523 HydrophobicContact CG1-CG1 4.34Å; V1519-I1523 VanDerWaalsContact O-CG1 3.31Å; V1519-I1523 WeakPolarHBondContact O-CG1 3.22Å; V1519-I1523 PolarHBondContact O-N 3.39Å |
| 1520 | H | 96 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.1 | -33.9 | 174.5 | -82 | -59.6 | 0 | 0 | 0 | 113.4 | F1455 L1460 P1461 M1463 M1516 A1517 H1518 F1522 A1524 | F1455-H1520 WeakPolarHBondContact CB-NE2 3.44Å; F1455-H1520 AromaticContact CD1-CD2 3.34Å; F1455-H1520 WeakPolarHBondContact CD1-CD2 3.19Å; F1455-H1520 AromaticContact CD1-NE2 3.79Å; F1455-H1520 AromaticContact CD2-CD2 3.35Å; F1455-H1520 WeakPolarHBondContact CD2-CD2 3.37Å; F1455-H1520 AromaticContact CD2-NE2 3.39Å; F1455-H1520 WeakPolarHBondContact CD2-NE2 3.39Å; F1455-H1520 AromaticContact CE1-CD2 3.72Å; F1455-H1520 AromaticContact CE2-CD2 3.78Å; F1455-H1520 AromaticContact CG-CD2 3.15Å; F1455-H1520 WeakPolarHBondContact CG-CD2 3.27Å; F1455-H1520 AromaticContact CG-NE2 3.14Å; F1455-H1520 WeakPolarHBondContact CG-NE2 3.45Å; F1455-H1520 AromaticContact CZ-CD2 3.94Å; L1460-H1520 HydrophobicContact CD1-CB 3.85Å; P1461-H1520 PolarHBondContact O-CE1 2.86Å; M1463-H1520 WeakPolarHBondContact CE-CE1 3.27Å; M1463-H1520 WeakPolarHBondContact CE-NE2 3.31Å; M1516-H1520 PolarHBondContact O-CD2 3.17Å; M1516-H1520 PolarHBondContact O-N 2.86Å; A1517-H1520 PolarHBondContact O-N 3.42Å; H1518-H1520 PolarHBondContact O-N 3.03Å; H1520-F1522 VanDerWaalsContact C-N 3.33Å; H1520-A1524 WeakPolarHBondContact O-CB 3.49Å; H1520-A1524 PolarHBondContact O-N 3.37Å |
| 1521 | Y | 96 | Very high | 94.1 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 170.4 | -151.4 | 156.2 | 0 | 0 | 0 | 110.1 | A1517 H1518 V1519 I1523 A1524 Y1525 F1540 H1541 I1544 L1709 | A1517-Y1521 PolarHBondContact O-N 2.87Å; H1518-Y1521 WeakPolarHBondContact O-CA 3.27Å; H1518-Y1521 VanDerWaalsContact O-CB 3.25Å; H1518-Y1521 WeakPolarHBondContact O-CB 3.2Å; H1518-Y1521 PolarHBondContact O-N 2.93Å; H1518-Y1521 VanDerWaalsContact O-N 3.08Å; V1519-Y1521 VanDerWaalsContact C-N 3.28Å; V1519-Y1521 PolarHBondContact O-N 3.42Å; Y1521-I1523 VanDerWaalsContact C-N 3.35Å; Y1521-I1523 PolarHBondContact O-N 3.49Å; Y1521-A1524 PolarHBondContact O-N 2.8Å; Y1521-A1524 VanDerWaalsContact O-N 3.12Å; Y1521-Y1525 AromaticContact CD2-CD1 3.31Å; Y1521-Y1525 HydrophobicContact CD2-CD1 3.31Å; Y1521-Y1525 AromaticContact CD2-CE1 3.41Å; Y1521-Y1525 HydrophobicContact CD2-CE1 3.41Å; Y1521-Y1525 VanDerWaalsContact CD2-CE1 3.41Å; Y1521-Y1525 HydrophobicContact CD2-CG 4.43Å; Y1521-Y1525 AromaticContact CE2-CD1 3.56Å; Y1521-Y1525 HydrophobicContact CE2-CD1 3.56Å; Y1521-Y1525 AromaticContact CE2-CE1 3.83Å; Y1521-Y1525 HydrophobicContact CE2-CE1 3.83Å; Y1521-Y1525 HydrophobicContact CG-CD1 4.32Å; Y1521-Y1525 AromaticContact CG-CE1 4Å; Y1521-Y1525 HydrophobicContact CG-CE1 4Å; Y1521-Y1525 VanDerWaalsContact O-CD1 3.3Å; Y1521-Y1525 WeakPolarHBondContact O-CD1 2.95Å; Y1521-Y1525 PolarHBondContact O-N 3.45Å; Y1521-Y1525 VanDerWaalsContact O-N 3.13Å; Y1521-F1540 HydrophobicContact CE1-CB 4.09Å; Y1521-H1541 AromaticContact CD1-CE1 3.43Å; Y1521-H1541 VanDerWaalsContact CD1-CE1 3.43Å; Y1521-H1541 WeakPolarHBondContact CD1-CE1 3.41Å; Y1521-H1541 AromaticContact CD1-CG 3.91Å; Y1521-H1541 AromaticContact CD1-ND1 3.36Å; Y1521-H1541 WeakPolarHBondContact CD1-ND1 3.24Å; Y1521-H1541 AromaticContact CD1-NE2 3.99Å; Y1521-H1541 AromaticContact CG-CE1 3.6Å; Y1521-H1541 AromaticContact CG-ND1 3.91Å; Y1521-I1544 HydrophobicContact CE1-CG1 4.25Å; Y1521-L1709 HydrophobicContact CD1-CD2 3.68Å; Y1521-L1709 HydrophobicContact CD2-CB 3.73Å; Y1521-L1709 HydrophobicContact CD2-CD1 4.49Å; Y1521-L1709 HydrophobicContact CD2-CD2 3.63Å; Y1521-L1709 HydrophobicContact CD2-CG 4.13Å; Y1521-L1709 HydrophobicContact CE1-CD2 3.55Å; Y1521-L1709 HydrophobicContact CE2-CB 3.86Å; Y1521-L1709 HydrophobicContact CE2-CD2 3.52Å; Y1521-L1709 HydrophobicContact CE2-CG 4.26Å; Y1521-L1709 WeakPolarHBondContact CE2-O 3.45Å; Y1521-L1709 HydrophobicContact CG-CB 4.43Å; Y1521-L1709 HydrophobicContact CG-CD1 4.39Å; Y1521-L1709 HydrophobicContact CG-CD2 3.71Å; Y1521-L1709 HydrophobicContact CG-CG 4.38Å; Y1521-L1709 VanDerWaalsContact CZ-CD2 3.46Å |
| 1522 | F | 96.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 9% | 0.088 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.7 | -47.1 | 177.1 | -53.4 | -20 | 0 | 0 | 0 | 112 | A1487 D1489 F1496 H1518 V1519 H1520 A1524 Y1525 S1526 H1541 | A1487-F1522 HydrophobicContact CB-CE2 3.94Å; A1487-F1522 HydrophobicContact CB-CZ 4.37Å; D1489-F1522 HydrophobicContact CB-CB 4.17Å; D1489-F1522 HydrophobicContact CB-CD1 4.41Å; D1489-F1522 HydrophobicContact CB-CD2 3.8Å; D1489-F1522 HydrophobicContact CB-CE2 4.21Å; D1489-F1522 HydrophobicContact CB-CG 3.9Å; F1496-F1522 HydrophobicContact CD1-CB 3.5Å; F1496-F1522 VanDerWaalsContact CD1-CB 3.5Å; F1496-F1522 HydrophobicContact CD1-CD2 4.07Å; F1496-F1522 HydrophobicContact CD1-CG 4.27Å; F1496-F1522 HydrophobicContact CE1-CB 3.41Å; F1496-F1522 VanDerWaalsContact CE1-CB 3.41Å; F1496-F1522 HydrophobicContact CZ-CB 4.36Å; H1518-F1522 HydrophobicContact CB-CE1 4.41Å; H1518-F1522 HydrophobicContact CB-CE2 4.36Å; H1518-F1522 HydrophobicContact CB-CZ 4.08Å; H1518-F1522 WeakPolarHBondContact O-CD1 3.45Å; H1518-F1522 WeakPolarHBondContact O-CG 3.28Å; H1518-F1522 PolarHBondContact O-N 3.33Å; V1519-F1522 HydrophobicContact CG2-CD2 4.39Å; V1519-F1522 WeakPolarHBondContact O-CA 3.27Å; V1519-F1522 VanDerWaalsContact O-CB 3.31Å; V1519-F1522 WeakPolarHBondContact O-CB 3.47Å; V1519-F1522 PolarHBondContact O-N 3.48Å; V1519-F1522 VanDerWaalsContact O-N 3.07Å; H1520-F1522 VanDerWaalsContact C-N 3.33Å; F1522-A1524 VanDerWaalsContact C-N 3.33Å; F1522-A1524 PolarHBondContact O-N 3.46Å; F1522-Y1525 VanDerWaalsContact CA-CE2 3.46Å; F1522-Y1525 HydrophobicContact CB-CE2 4.24Å; F1522-Y1525 HydrophobicContact CD1-CE1 4.4Å; F1522-Y1525 HydrophobicContact CD1-CE2 4.13Å; F1522-Y1525 AromaticContact CD1-CZ 3.59Å; F1522-Y1525 WeakPolarHBondContact CD1-OH 3.39Å; F1522-Y1525 VanDerWaalsContact CE1-OH 3.29Å; F1522-Y1525 WeakPolarHBondContact CE1-OH 3.36Å; F1522-Y1525 WeakPolarHBondContact O-CD2 3.44Å; F1522-S1526 WeakPolarHBondContact O-CA 3.18Å; F1522-S1526 WeakPolarHBondContact O-CB 3.38Å; F1522-S1526 PolarHBondContact O-N 3.31Å; F1522-H1541 AromaticContact CD1-CE1 3.88Å; F1522-H1541 AromaticContact CE1-CE1 3.51Å |
| 1523 | I | 95.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 15% | 0.149 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.8 | -68.9 | 165.6 | 0 | 0 | 0 | 110.6 | P1461 M1463 F1496 V1519 Y1521 Y1525 S1526 | P1461-I1523 HydrophobicContact CG-CG2 4.16Å; M1463-I1523 HydrophobicContact CE-CD1 3.91Å; M1463-I1523 HydrophobicContact SD-CD1 4.28Å; F1496-I1523 HydrophobicContact CD2-CD1 4.33Å; F1496-I1523 HydrophobicContact CD2-CG1 3.63Å; F1496-I1523 HydrophobicContact CE2-CB 4.42Å; F1496-I1523 HydrophobicContact CE2-CG1 3.48Å; F1496-I1523 VanDerWaalsContact CE2-CG1 3.48Å; F1496-I1523 HydrophobicContact CG-CG1 4.32Å; F1496-I1523 HydrophobicContact CZ-CG1 4.06Å; V1519-I1523 HydrophobicContact CG1-CD1 3.86Å; V1519-I1523 HydrophobicContact CG1-CG1 4.34Å; V1519-I1523 VanDerWaalsContact O-CG1 3.31Å; V1519-I1523 WeakPolarHBondContact O-CG1 3.22Å; V1519-I1523 PolarHBondContact O-N 3.39Å; Y1521-I1523 VanDerWaalsContact C-N 3.35Å; Y1521-I1523 PolarHBondContact O-N 3.49Å; I1523-Y1525 PolarHBondContact O-N 3Å; I1523-S1526 VanDerWaalsContact O-CB 3.28Å; I1523-S1526 WeakPolarHBondContact O-CB 3.02Å; I1523-S1526 PolarHBondContact O-N 2.94Å; I1523-S1526 PolarHBondContact O-OG 2.93Å |
| 1524 | A | 94.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1520 Y1521 F1522 S1526 Y1706 L1709 S1710 | H1520-A1524 WeakPolarHBondContact O-CB 3.49Å; H1520-A1524 PolarHBondContact O-N 3.37Å; Y1521-A1524 PolarHBondContact O-N 2.8Å; Y1521-A1524 VanDerWaalsContact O-N 3.12Å; F1522-A1524 VanDerWaalsContact C-N 3.33Å; F1522-A1524 PolarHBondContact O-N 3.46Å; A1524-S1526 VanDerWaalsContact C-N 3.35Å; A1524-Y1706 HydrophobicContact CB-CD2 3.83Å; A1524-Y1706 HydrophobicContact CB-CE2 3.63Å; A1524-L1709 HydrophobicContact CB-CB 3.57Å; A1524-S1710 VanDerWaalsContact O-CA 3.31Å; A1524-S1710 WeakPolarHBondContact O-CA 3.22Å; A1524-S1710 WeakPolarHBondContact O-CB 3.5Å |
| 1525 | Y | 95.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 2% | 0.02 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -90.5 | 5.9 | 179.6 | 59.5 | -135.6 | 0 | 0 | 0 | 114.2 | Y1521 F1522 I1523 N1527 Q1528 R1533 H1541 | Y1521-Y1525 AromaticContact CD2-CD1 3.31Å; Y1521-Y1525 HydrophobicContact CD2-CD1 3.31Å; Y1521-Y1525 AromaticContact CD2-CE1 3.41Å; Y1521-Y1525 HydrophobicContact CD2-CE1 3.41Å; Y1521-Y1525 VanDerWaalsContact CD2-CE1 3.41Å; Y1521-Y1525 HydrophobicContact CD2-CG 4.43Å; Y1521-Y1525 AromaticContact CE2-CD1 3.56Å; Y1521-Y1525 HydrophobicContact CE2-CD1 3.56Å; Y1521-Y1525 AromaticContact CE2-CE1 3.83Å; Y1521-Y1525 HydrophobicContact CE2-CE1 3.83Å; Y1521-Y1525 HydrophobicContact CG-CD1 4.32Å; Y1521-Y1525 AromaticContact CG-CE1 4Å; Y1521-Y1525 HydrophobicContact CG-CE1 4Å; Y1521-Y1525 VanDerWaalsContact O-CD1 3.3Å; Y1521-Y1525 WeakPolarHBondContact O-CD1 2.95Å; Y1521-Y1525 PolarHBondContact O-N 3.45Å; Y1521-Y1525 VanDerWaalsContact O-N 3.13Å; F1522-Y1525 VanDerWaalsContact CA-CE2 3.46Å; F1522-Y1525 HydrophobicContact CB-CE2 4.24Å; F1522-Y1525 HydrophobicContact CD1-CE1 4.4Å; F1522-Y1525 HydrophobicContact CD1-CE2 4.13Å; F1522-Y1525 AromaticContact CD1-CZ 3.59Å; F1522-Y1525 WeakPolarHBondContact CD1-OH 3.39Å; F1522-Y1525 VanDerWaalsContact CE1-OH 3.29Å; F1522-Y1525 WeakPolarHBondContact CE1-OH 3.36Å; F1522-Y1525 WeakPolarHBondContact O-CD2 3.44Å; I1523-Y1525 PolarHBondContact O-N 3Å; Y1525-N1527 PolarHBondContact O-N 2.9Å; Y1525-Q1528 VanDerWaalsContact O-CB 3.31Å; Y1525-Q1528 WeakPolarHBondContact O-CB 3.1Å; Y1525-Q1528 PolarHBondContact O-N 3.34Å; Y1525-R1533 HydrophobicContact CD2-CB 3.78Å; Y1525-R1533 HydrophobicContact CD2-CG 3.92Å; Y1525-R1533 HydrophobicContact CE2-CB 3.67Å; Y1525-R1533 HydrophobicContact CE2-CG 4.26Å; Y1525-R1533 PolarHBondContact OH-O 3.43Å; Y1525-H1541 AromaticContact CE1-CE1 3.93Å; Y1525-H1541 AromaticContact CE1-NE2 3.91Å |
| 1526 | S | 93 | Very high | 93.2 | Very high | 13 Ų | 13 | 20.7 Ų | 20.7 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.2 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | F1522 I1523 A1524 R1533 | F1522-S1526 WeakPolarHBondContact O-CA 3.18Å; F1522-S1526 WeakPolarHBondContact O-CB 3.38Å; F1522-S1526 PolarHBondContact O-N 3.31Å; I1523-S1526 VanDerWaalsContact O-CB 3.28Å; I1523-S1526 WeakPolarHBondContact O-CB 3.02Å; I1523-S1526 PolarHBondContact O-N 2.94Å; I1523-S1526 PolarHBondContact O-OG 2.93Å; A1524-S1526 VanDerWaalsContact C-N 3.35Å; S1526-R1533 PolarHBondContact O-NE 3.29Å; S1526-R1533 VanDerWaalsContact O-NE 3.16Å; S1526-R1533 PolarHBondContact O-NH2 3.33Å |
| 1527 | N | 88.2 | Confident | 92.9 | Very high | 147 Ų | 147 | 21 Ų | 21 | 79% | 0.786 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.4 | 176.6 | -66.2 | -48.8 | 0 | 0 | 0 | 114.4 | Y1525 | Y1525-N1527 PolarHBondContact O-N 2.9Š|
| 1528 | Q | 92.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 22.7 Ų | 22.7 | 11% | 0.107 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -80.6 | 155 | 175.2 | -60.7 | -65.5 | -18.3 | 0 | 0 | 110.7 | Y1525 F1532 R1533 S1710 | Y1525-Q1528 VanDerWaalsContact O-CB 3.31Å; Y1525-Q1528 WeakPolarHBondContact O-CB 3.1Å; Y1525-Q1528 PolarHBondContact O-N 3.34Å; Q1528-F1532 HydrophobicContact CB-CB 3.87Å; Q1528-R1533 HydrophobicContact CB-CG 4.41Å; Q1528-R1533 PolarHBondContact O-NE 3.08Å; Q1528-R1533 PolarHBondContact O-NH2 2.78Å; Q1528-S1710 WeakPolarHBondContact CG-O 3.34Å; Q1528-S1710 PolarHBondContact NE2-O 2.71Å |
| 1529 | P | 91.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 21.4 Ų | 21.4 | 17% | 0.169 | 11% | 0.113 | C | C | . | . | trans | -47.7 | 144.9 | 164.4 | -29.3 | 33.2 | 0 | 0 | 0 | 112.5 | E1176 L1239 K1531 F1532 R1533 | E1176-P1529 VanDerWaalsContact CD-CA 3.47Å; E1176-P1529 WeakPolarHBondContact OE1-CA 3.31Å; E1176-P1529 WeakPolarHBondContact OE2-CA 3.34Å; E1176-P1529 VanDerWaalsContact OE2-CB 3.3Å; E1176-P1529 WeakPolarHBondContact OE2-CB 3.31Å; L1239-P1529 HydrophobicContact CD1-CB 3.86Å; L1239-P1529 HydrophobicContact CD1-CG 4.4Å; L1239-P1529 HydrophobicContact CD2-CB 4.17Å; L1239-P1529 HydrophobicContact CD2-CG 4Å; P1529-K1531 PolarHBondContact O-N 3.07Å; P1529-K1531 VanDerWaalsContact O-N 3.13Å; P1529-F1532 HydrophobicContact CB-CD2 4.15Å; P1529-F1532 HydrophobicContact CG-CD2 3.92Å; P1529-F1532 HydrophobicContact CG-CE2 4.43Å; P1529-F1532 CarbonylContact O-C 3.53Å; P1529-F1532 VanDerWaalsContact O-CA 3.31Å; P1529-F1532 WeakPolarHBondContact O-CA 3.37Å; P1529-F1532 WeakPolarHBondContact O-CB 3.34Å; P1529-F1532 PolarHBondContact O-N 2.77Å; P1529-R1533 PolarHBondContact O-N 3.04Å | ||
| 1530 | V | 90.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -50.9 | -41.6 | -178 | 169.2 | 0 | 0 | 0 | 0 | 112.3 | E1176 M1179 Q1180 Y1183 Y1491 F1532 R1533 | E1176-V1530 VanDerWaalsContact CD-N 3.3Å; E1176-V1530 WeakPolarHBondContact OE1-CG2 3.43Å; E1176-V1530 PolarHBondContact OE1-N 3.29Å; E1176-V1530 PolarHBondContact OE2-N 3.25Å; M1179-V1530 HydrophobicContact CB-CB 4.11Å; M1179-V1530 HydrophobicContact CB-CG1 4.07Å; M1179-V1530 HydrophobicContact CB-CG2 4.46Å; Q1180-V1530 HydrophobicContact CB-CG2 3.73Å; Q1180-V1530 HydrophobicContact CG-CG2 4.1Å; Y1183-V1530 HydrophobicContact CD1-CG1 4.06Å; Y1183-V1530 HydrophobicContact CD2-CG1 3.54Å; Y1183-V1530 HydrophobicContact CE1-CG1 4.23Å; Y1183-V1530 HydrophobicContact CE2-CG1 3.77Å; Y1183-V1530 HydrophobicContact CG-CG1 3.66Å; Y1491-V1530 HydrophobicContact CD1-CG1 4.09Å; Y1491-V1530 HydrophobicContact CD1-CG2 4.4Å; Y1491-V1530 HydrophobicContact CE1-CG1 4.19Å; V1530-F1532 PolarHBondContact O-N 2.81Å; V1530-F1532 VanDerWaalsContact O-N 3.12Å; V1530-R1533 PolarHBondContact O-N 2.91Å |
| 1531 | K | 89.5 | Confident | 92.2 | Very high | 28 Ų | 28 | 22.7 Ų | 22.7 | 12% | 0.122 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -69.2 | -5.7 | 177 | -69 | -64.4 | -170.2 | 173.7 | 0 | 114.8 | E1216 L1239 R1242 I1243 P1529 S1713 | E1216-K1531 VanDerWaalsContact CD-NZ 3.3Å; E1216-K1531 IonicContact OE1-NZ 3.88Å; E1216-K1531 PolarHBondContact OE1-NZ 3.2Å; L1239-K1531 HydrophobicContact CD1-CB 3.98Å; R1242-K1531 PolarHBondContact NH1-O 2.7Å; I1243-K1531 HydrophobicContact CG1-CG 3.98Å; P1529-K1531 PolarHBondContact O-N 3.07Å; P1529-K1531 VanDerWaalsContact O-N 3.13Å; K1531-S1713 PolarHBondContact O-OG 3.08Å |
| 1532 | F | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -108.7 | -5.6 | 170.4 | -68.1 | -28.6 | 0 | 0 | 0 | 113.7 | K1235 R1238 L1239 Q1528 P1529 V1530 E1534 G1712 S1713 | K1235-F1532 HydrophobicContact CG-CE2 3.91Å; K1235-F1532 HydrophobicContact CG-CZ 4.43Å; R1238-F1532 HydrophobicContact CB-CZ 4.32Å; R1238-F1532 HydrophobicContact CG-CE1 4.12Å; R1238-F1532 HydrophobicContact CG-CZ 4.33Å; L1239-F1532 VanDerWaalsContact CA-CZ 3.48Å; L1239-F1532 HydrophobicContact CB-CE1 4.3Å; L1239-F1532 HydrophobicContact CB-CE2 3.83Å; L1239-F1532 HydrophobicContact CB-CZ 3.52Å; L1239-F1532 HydrophobicContact CD1-CD1 4.49Å; L1239-F1532 HydrophobicContact CD1-CD2 4.23Å; L1239-F1532 HydrophobicContact CD1-CE1 4.26Å; L1239-F1532 HydrophobicContact CD1-CE2 3.98Å; L1239-F1532 HydrophobicContact CD1-CG 4.48Å; L1239-F1532 HydrophobicContact CD1-CZ 4.02Å; L1239-F1532 HydrophobicContact CG-CE2 4.33Å; L1239-F1532 HydrophobicContact CG-CZ 4.33Å; Q1528-F1532 HydrophobicContact CB-CB 3.87Å; P1529-F1532 HydrophobicContact CB-CD2 4.15Å; P1529-F1532 HydrophobicContact CG-CD2 3.92Å; P1529-F1532 HydrophobicContact CG-CE2 4.43Å; P1529-F1532 CarbonylContact O-C 3.53Å; P1529-F1532 VanDerWaalsContact O-CA 3.31Å; P1529-F1532 WeakPolarHBondContact O-CA 3.37Å; P1529-F1532 WeakPolarHBondContact O-CB 3.34Å; P1529-F1532 PolarHBondContact O-N 2.77Å; V1530-F1532 PolarHBondContact O-N 2.81Å; V1530-F1532 VanDerWaalsContact O-N 3.12Å; F1532-E1534 PolarHBondContact O-N 3.4Å; F1532-G1712 WeakPolarHBondContact O-CA 3.31Å; F1532-S1713 VanDerWaalsContact CA-OG 3.29Å; F1532-S1713 WeakPolarHBondContact CA-OG 3.06Å; F1532-S1713 PolarHBondContact O-N 3.41Å; F1532-S1713 PolarHBondContact O-OG 3.33Å |
| 1533 | R | 92.4 | Very high | 92 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | trans | -83.6 | 57.9 | 179.4 | -65.3 | -167.4 | -166.5 | 171.3 | 10.2 | 112.3 | Y1491 Y1525 S1526 Q1528 P1529 V1530 | Y1491-R1533 HydrophobicContact CE1-CB 4.33Å; Y1491-R1533 PolarHBondContact O-NH1 3.3Å; Y1525-R1533 HydrophobicContact CD2-CB 3.78Å; Y1525-R1533 HydrophobicContact CD2-CG 3.92Å; Y1525-R1533 HydrophobicContact CE2-CB 3.67Å; Y1525-R1533 HydrophobicContact CE2-CG 4.26Å; Y1525-R1533 PolarHBondContact OH-O 3.43Å; S1526-R1533 PolarHBondContact O-NE 3.29Å; S1526-R1533 VanDerWaalsContact O-NE 3.16Å; S1526-R1533 PolarHBondContact O-NH2 3.33Å; Q1528-R1533 HydrophobicContact CB-CG 4.41Å; Q1528-R1533 PolarHBondContact O-NE 3.08Å; Q1528-R1533 PolarHBondContact O-NH2 2.78Å; P1529-R1533 PolarHBondContact O-N 3.04Å; V1530-R1533 PolarHBondContact O-N 2.91Å | ||
| 1534 | E | 89.5 | Confident | 91.9 | Very high | 81 Ų | 81 | 22.3 Ų | 22.3 | 38% | 0.379 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -148.8 | 161.6 | 172.5 | 54.6 | 176.8 | -153.5 | 0 | 0 | 108 | R1242 F1532 G1712 S1713 | R1242-E1534 IonicContact CZ-OE1 3.06Å; R1242-E1534 IonicContact NH1-OE1 3.49Å; R1242-E1534 PolarHBondContact NH1-OE1 3.35Å; R1242-E1534 IonicContact NH2-OE1 2.97Å; F1532-E1534 PolarHBondContact O-N 3.4Å; E1534-G1712 CarbonylContact O-C 3.52Å; E1534-G1712 VanDerWaalsContact O-CA 3.26Å; E1534-G1712 WeakPolarHBondContact O-CA 3.46Å; E1534-S1713 VanDerWaalsContact CG-OG 3.3Å; E1534-S1713 WeakPolarHBondContact CG-OG 3.5Å; E1534-S1713 PolarHBondContact O-N 3.03Å |
| 1535 | G | 89.3 | Confident | 91.9 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | trans | -56.2 | 151.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1537 H1541 | G1535-N1537 CarbonylContact C-O 3.5Å; G1535-N1537 PolarHBondContact O-N 3.22Å; G1535-H1541 PolarHBondContact N-NE2 3.24Å; G1535-H1541 VanDerWaalsContact N-NE2 3.16Å | ||
| 1536 | A | 89.1 | Confident | 91.8 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -53.8 | -30 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1540 W1717 A1720 | A1536-F1540 HydrophobicContact CB-CD1 4.28Å; A1536-F1540 HydrophobicContact CB-CD2 4.05Å; A1536-F1540 HydrophobicContact CB-CE1 4.22Å; A1536-F1540 HydrophobicContact CB-CE2 4.02Å; A1536-F1540 HydrophobicContact CB-CG 4.18Å; A1536-F1540 HydrophobicContact CB-CZ 4.08Å; A1536-W1717 HydrophobicContact CB-CB 3.94Å; A1536-A1720 HydrophobicContact CB-CB 3.62Å |
| 1537 | N | 90.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -142.6 | 172 | 153.8 | 71.9 | 29.8 | 0 | 0 | 0 | 108.5 | Y1357 G1535 A1539 F1540 W1717 | Y1357-N1537 HydrophobicContact CD1-CB 4.21Å; G1535-N1537 CarbonylContact C-O 3.5Å; G1535-N1537 PolarHBondContact O-N 3.22Å; N1537-A1539 PolarHBondContact O-N 2.92Å; N1537-A1539 VanDerWaalsContact O-N 3.08Å; N1537-A1539 WeakPolarHBondContact OD1-CA 3.24Å; N1537-A1539 WeakPolarHBondContact OD1-CB 3.39Å; N1537-A1539 PolarHBondContact OD1-N 3.36Å; N1537-F1540 PolarHBondContact O-N 3.17Å; N1537-F1540 VanDerWaalsContact O-N 3.09Å; N1537-F1540 WeakPolarHBondContact OD1-CD2 3.35Å; N1537-F1540 PolarHBondContact OD1-N 3.03Å; N1537-W1717 HydrophobicContact CB-CB 4.29Å |
| 1538 | P | 89.5 | Confident | 92.3 | Very high | 40 Ų | 40 | 14.4 Ų | 14.4 | 26% | 0.26 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.8 | -177.2 | -27.9 | 36.2 | 0 | 0 | 0 | 114.8 | F1356 Y1357 F1540 Q1665 | F1356-P1538 HydrophobicContact CB-CG 3.76Å; F1356-P1538 HydrophobicContact CG-CG 4.46Å; Y1357-P1538 HydrophobicContact CE2-CG 4.34Å; P1538-F1540 PolarHBondContact O-N 2.99Å; P1538-Q1665 HydrophobicContact CB-CB 4.04Å |
| 1539 | A | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -77.4 | -15.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1357 N1537 H1541 E1542 A1543 Q1665 F1668 M1672 | Y1357-A1539 HydrophobicContact CE1-CB 4.17Å; N1537-A1539 PolarHBondContact O-N 2.92Å; N1537-A1539 VanDerWaalsContact O-N 3.08Å; N1537-A1539 WeakPolarHBondContact OD1-CA 3.24Å; N1537-A1539 WeakPolarHBondContact OD1-CB 3.39Å; N1537-A1539 PolarHBondContact OD1-N 3.36Å; A1539-H1541 PolarHBondContact O-N 2.82Å; A1539-E1542 PolarHBondContact O-N 3.15Å; A1539-A1543 WeakPolarHBondContact O-CB 3.43Å; A1539-A1543 PolarHBondContact O-N 2.84Å; A1539-Q1665 HydrophobicContact CB-CB 4.48Å; A1539-Q1665 WeakPolarHBondContact CB-O 3.21Å; A1539-F1668 HydrophobicContact CB-CB 3.5Å; A1539-M1672 HydrophobicContact CB-CE 3.42Å; A1539-M1672 VanDerWaalsContact CB-CE 3.42Å |
| 1540 | F | 94.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | -179.9 | -93.1 | -109.3 | 0 | 0 | 0 | 112.6 | Y1521 A1536 N1537 P1538 E1542 A1543 I1544 M1672 W1717 A1720 L1721 | Y1521-F1540 HydrophobicContact CE1-CB 4.09Å; A1536-F1540 HydrophobicContact CB-CD1 4.28Å; A1536-F1540 HydrophobicContact CB-CD2 4.05Å; A1536-F1540 HydrophobicContact CB-CE1 4.22Å; A1536-F1540 HydrophobicContact CB-CE2 4.02Å; A1536-F1540 HydrophobicContact CB-CG 4.18Å; A1536-F1540 HydrophobicContact CB-CZ 4.08Å; N1537-F1540 PolarHBondContact O-N 3.17Å; N1537-F1540 VanDerWaalsContact O-N 3.09Å; N1537-F1540 WeakPolarHBondContact OD1-CD2 3.35Å; N1537-F1540 PolarHBondContact OD1-N 3.03Å; P1538-F1540 PolarHBondContact O-N 2.99Å; F1540-E1542 VanDerWaalsContact C-N 3.33Å; F1540-E1542 PolarHBondContact O-N 3.16Å; F1540-A1543 PolarHBondContact O-N 2.84Å; F1540-I1544 WeakPolarHBondContact O-CB 3.39Å; F1540-I1544 WeakPolarHBondContact O-CG1 3.16Å; F1540-I1544 PolarHBondContact O-N 3.04Å; F1540-M1672 HydrophobicContact CD2-CE 4.27Å; F1540-M1672 HydrophobicContact CE2-CE 4.46Å; F1540-M1672 HydrophobicContact CE2-SD 4.29Å; F1540-W1717 HydrophobicContact CE2-CB 3.87Å; F1540-W1717 HydrophobicContact CE2-CE3 4.47Å; F1540-W1717 HydrophobicContact CZ-CB 4.37Å; F1540-A1720 HydrophobicContact CE1-CB 3.88Å; F1540-A1720 HydrophobicContact CZ-CB 3.99Å; F1540-L1721 HydrophobicContact CZ-CB 4.04Å |
| 1541 | H | 92.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 12.4 Ų | 12.4 | 13% | 0.125 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.5 | -85.2 | -77.8 | 0 | 0 | 0 | 111.2 | H1518 Y1521 F1522 Y1525 G1535 A1539 A1545 | H1518-H1541 AromaticContact ND1-CG 3.77Å; H1518-H1541 AromaticContact ND1-ND1 3.41Å; H1518-H1541 PolarHBondContact ND1-ND1 3.42Å; Y1521-H1541 AromaticContact CD1-CE1 3.43Å; Y1521-H1541 VanDerWaalsContact CD1-CE1 3.43Å; Y1521-H1541 WeakPolarHBondContact CD1-CE1 3.41Å; Y1521-H1541 AromaticContact CD1-CG 3.91Å; Y1521-H1541 AromaticContact CD1-ND1 3.36Å; Y1521-H1541 WeakPolarHBondContact CD1-ND1 3.24Å; Y1521-H1541 AromaticContact CD1-NE2 3.99Å; Y1521-H1541 AromaticContact CG-CE1 3.6Å; Y1521-H1541 AromaticContact CG-ND1 3.91Å; F1522-H1541 AromaticContact CD1-CE1 3.88Å; F1522-H1541 AromaticContact CE1-CE1 3.51Å; Y1525-H1541 AromaticContact CE1-CE1 3.93Å; Y1525-H1541 AromaticContact CE1-NE2 3.91Å; G1535-H1541 PolarHBondContact N-NE2 3.24Å; G1535-H1541 VanDerWaalsContact N-NE2 3.16Å; A1539-H1541 PolarHBondContact O-N 2.82Å; H1541-A1545 VanDerWaalsContact O-CB 3.27Å; H1541-A1545 WeakPolarHBondContact O-CB 3.34Å; H1541-A1545 PolarHBondContact O-N 3.03Å |
| 1542 | E | 91.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 11.1 Ų | 11.1 | 19% | 0.187 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 176.3 | -68.3 | -56.5 | 143.4 | 0 | 0 | 112.6 | R1514 A1539 F1540 G1546 Q1665 | R1514-E1542 IonicContact CZ-OE2 3.68Å; R1514-E1542 IonicContact NH2-OE2 2.79Å; R1514-E1542 PolarHBondContact NH2-OE2 2.86Å; A1539-E1542 PolarHBondContact O-N 3.15Å; F1540-E1542 VanDerWaalsContact C-N 3.33Å; F1540-E1542 PolarHBondContact O-N 3.16Å; E1542-G1546 WeakPolarHBondContact O-CA 3.38Å; E1542-G1546 PolarHBondContact O-N 2.92Å; E1542-Q1665 HydrophobicContact CG-CG 4.47Å |
| 1543 | A | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1539 F1540 A1547 G1669 M1672 Q1673 I1676 | A1539-A1543 WeakPolarHBondContact O-CB 3.43Å; A1539-A1543 PolarHBondContact O-N 2.84Å; F1540-A1543 PolarHBondContact O-N 2.84Å; A1543-A1547 WeakPolarHBondContact O-CB 3.17Å; A1543-A1547 PolarHBondContact O-N 3.26Å; A1543-G1669 WeakPolarHBondContact CA-O 3.33Å; A1543-M1672 HydrophobicContact CB-CB 3.61Å; A1543-M1672 HydrophobicContact CB-CE 4.18Å; A1543-Q1673 WeakPolarHBondContact O-CA 3.27Å; A1543-Q1673 VanDerWaalsContact O-CB 3.25Å; A1543-Q1673 WeakPolarHBondContact O-CB 3.3Å; A1543-I1676 HydrophobicContact CB-CD1 3.66Å |
| 1544 | I | 94.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 2% | 0.015 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69.3 | -49.1 | 178.9 | -61.7 | -77.3 | 0 | 0 | 0 | 109.9 | Y1521 F1540 G1546 A1547 I1548 I1676 L1705 L1709 I1724 | Y1521-I1544 HydrophobicContact CE1-CG1 4.25Å; F1540-I1544 WeakPolarHBondContact O-CB 3.39Å; F1540-I1544 WeakPolarHBondContact O-CG1 3.16Å; F1540-I1544 PolarHBondContact O-N 3.04Å; I1544-G1546 VanDerWaalsContact C-N 3.26Å; I1544-G1546 PolarHBondContact O-N 3.31Å; I1544-A1547 PolarHBondContact O-N 2.96Å; I1544-A1547 VanDerWaalsContact O-N 3.17Å; I1544-I1548 WeakPolarHBondContact O-CG1 3.32Å; I1544-I1548 PolarHBondContact O-N 3.12Å; I1544-I1676 HydrophobicContact CD1-CD1 3.86Å; I1544-I1676 HydrophobicContact CD1-CG2 4.09Å; I1544-I1676 HydrophobicContact CG1-CD1 4.32Å; I1544-L1705 HydrophobicContact CD1-CD1 3.44Å; I1544-L1705 VanDerWaalsContact CD1-CD1 3.44Å; I1544-L1705 HydrophobicContact CG2-CD1 4.12Å; I1544-L1709 HydrophobicContact CD1-CD2 3.78Å; I1544-L1709 HydrophobicContact CG1-CD2 3.85Å; I1544-L1709 HydrophobicContact CG2-CD2 4.31Å; I1544-I1724 HydrophobicContact CD1-CD1 4.05Å |
| 1545 | A | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1514 A1517 H1541 G1549 | R1514-A1545 HydrophobicContact CB-CB 4.08Å; R1514-A1545 HydrophobicContact CG-CB 4.12Å; A1517-A1545 HydrophobicContact CB-CB 4.16Å; H1541-A1545 VanDerWaalsContact O-CB 3.27Å; H1541-A1545 WeakPolarHBondContact O-CB 3.34Å; H1541-A1545 PolarHBondContact O-N 3.03Å; A1545-G1549 PolarHBondContact O-N 3.49Å |
| 1546 | G | 93.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 3% | 0.031 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1542 I1544 I1548 G1549 L1550 | E1542-G1546 WeakPolarHBondContact O-CA 3.38Å; E1542-G1546 PolarHBondContact O-N 2.92Å; I1544-G1546 VanDerWaalsContact C-N 3.26Å; I1544-G1546 PolarHBondContact O-N 3.31Å; G1546-I1548 VanDerWaalsContact C-N 3.33Å; G1546-I1548 PolarHBondContact O-N 3.19Å; G1546-G1549 CarbonylContact O-C 3.52Å; G1546-G1549 WeakPolarHBondContact O-CA 3.32Å; G1546-G1549 PolarHBondContact O-N 2.85Å; G1546-G1549 VanDerWaalsContact O-N 3.11Å; G1546-L1550 WeakPolarHBondContact O-CG 3.24Å; G1546-L1550 PolarHBondContact O-N 3.32Å |
| 1547 | A | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1543 I1544 L1550 S1551 Q1673 I1676 Y1677 | A1543-A1547 WeakPolarHBondContact O-CB 3.17Å; A1543-A1547 PolarHBondContact O-N 3.26Å; I1544-A1547 PolarHBondContact O-N 2.96Å; I1544-A1547 VanDerWaalsContact O-N 3.17Å; A1547-L1550 PolarHBondContact O-N 3.13Å; A1547-S1551 PolarHBondContact O-N 3.22Å; A1547-Q1673 WeakPolarHBondContact CB-O 3.46Å; A1547-I1676 HydrophobicContact CB-CB 4.26Å; A1547-I1676 HydrophobicContact CB-CG2 3.76Å; A1547-Y1677 HydrophobicContact CB-CD2 4.46Å; A1547-Y1677 VanDerWaalsContact O-CD2 3.24Å; A1547-Y1677 WeakPolarHBondContact O-CD2 3.26Å |
| 1548 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 173 | -59.4 | -61.9 | 0 | 0 | 0 | 110.6 | F1454 F1455 I1458 H1513 A1517 I1544 G1546 L1550 S1551 V1552 I1695 L1705 | F1454-I1548 HydrophobicContact CD1-CG2 4.17Å; F1454-I1548 HydrophobicContact CE1-CD1 3.95Å; F1454-I1548 HydrophobicContact CE1-CG2 3.54Å; F1454-I1548 HydrophobicContact CZ-CD1 4.3Å; F1454-I1548 HydrophobicContact CZ-CG2 4.04Å; F1455-I1548 HydrophobicContact CE1-CD1 4.19Å; F1455-I1548 HydrophobicContact CE1-CG1 4.17Å; F1455-I1548 HydrophobicContact CE1-CG2 4.17Å; F1455-I1548 HydrophobicContact CZ-CG1 4.47Å; F1455-I1548 HydrophobicContact CZ-CG2 3.88Å; I1458-I1548 HydrophobicContact CD1-CD1 4.45Å; H1513-I1548 HydrophobicContact CB-CG2 4.26Å; A1517-I1548 HydrophobicContact CB-CG1 4.21Å; I1544-I1548 WeakPolarHBondContact O-CG1 3.32Å; I1544-I1548 PolarHBondContact O-N 3.12Å; G1546-I1548 VanDerWaalsContact C-N 3.33Å; G1546-I1548 PolarHBondContact O-N 3.19Å; I1548-L1550 VanDerWaalsContact C-N 3.28Å; I1548-L1550 PolarHBondContact O-N 2.95Å; I1548-S1551 WeakPolarHBondContact O-CB 3.34Å; I1548-S1551 PolarHBondContact O-N 3.25Å; I1548-S1551 VanDerWaalsContact O-N 3.1Å; I1548-V1552 HydrophobicContact CG2-CG2 4.13Å; I1548-V1552 VanDerWaalsContact O-CG2 3.26Å; I1548-V1552 WeakPolarHBondContact O-CG2 3.37Å; I1548-V1552 PolarHBondContact O-N 3.12Å; I1548-I1695 HydrophobicContact CD1-CD1 4.01Å; I1548-L1705 HydrophobicContact CD1-CD2 4.12Å |
| 1549 | G | 92.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 11.1 Ų | 11.1 | 9% | 0.093 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -58.7 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1545 G1546 T1553 | A1545-G1549 PolarHBondContact O-N 3.49Å; G1546-G1549 CarbonylContact O-C 3.52Å; G1546-G1549 WeakPolarHBondContact O-CA 3.32Å; G1546-G1549 PolarHBondContact O-N 2.85Å; G1546-G1549 VanDerWaalsContact O-N 3.11Å; G1549-T1553 WeakPolarHBondContact O-CB 3.35Å; G1549-T1553 PolarHBondContact O-N 3.16Å; G1549-T1553 PolarHBondContact O-OG1 2.78Å |
| 1550 | L | 93.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 174 | -69.5 | 175.5 | 0 | 0 | 0 | 111.9 | G1546 A1547 I1548 S1554 I1597 Q1673 F1674 Y1677 Y1738 | G1546-L1550 WeakPolarHBondContact O-CG 3.24Å; G1546-L1550 PolarHBondContact O-N 3.32Å; A1547-L1550 PolarHBondContact O-N 3.13Å; I1548-L1550 VanDerWaalsContact C-N 3.28Å; I1548-L1550 PolarHBondContact O-N 2.95Å; L1550-S1554 PolarHBondContact O-N 2.82Å; L1550-I1597 HydrophobicContact CD2-CD1 4.38Å; L1550-Q1673 HydrophobicContact CD1-CG 4.12Å; L1550-F1674 HydrophobicContact CD1-CD1 3.63Å; L1550-F1674 HydrophobicContact CD1-CE1 3.66Å; L1550-F1674 HydrophobicContact CD1-CG 4.2Å; L1550-F1674 HydrophobicContact CD1-CZ 4.25Å; L1550-F1674 HydrophobicContact CD2-CE1 4Å; L1550-F1674 HydrophobicContact CD2-CZ 4.31Å; L1550-Y1677 HydrophobicContact CB-CD1 4.11Å; L1550-Y1677 HydrophobicContact CB-CD2 4.17Å; L1550-Y1677 HydrophobicContact CB-CE1 4.04Å; L1550-Y1677 HydrophobicContact CB-CE2 4.12Å; L1550-Y1677 HydrophobicContact CB-CG 4.17Å; L1550-Y1677 HydrophobicContact CD1-CD1 3.97Å; L1550-Y1677 HydrophobicContact CD1-CG 4.04Å; L1550-Y1738 HydrophobicContact CD2-CE2 4.33Å |
| 1551 | S | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 175.6 | -159.8 | 0 | 0 | 0 | 0 | 112.1 | A1547 I1548 T1553 S1554 H1557 Y1677 D1694 I1695 | A1547-S1551 PolarHBondContact O-N 3.22Å; I1548-S1551 WeakPolarHBondContact O-CB 3.34Å; I1548-S1551 PolarHBondContact O-N 3.25Å; I1548-S1551 VanDerWaalsContact O-N 3.1Å; S1551-T1553 VanDerWaalsContact C-N 3.3Å; S1551-T1553 PolarHBondContact O-N 2.84Å; S1551-S1554 VanDerWaalsContact O-CB 3.29Å; S1551-S1554 WeakPolarHBondContact O-CB 3.41Å; S1551-S1554 PolarHBondContact O-N 3.05Å; S1551-S1554 VanDerWaalsContact O-N 3.12Å; S1551-S1554 PolarHBondContact O-OG 2.79Å; S1551-H1557 WeakPolarHBondContact O-CB 3.46Å; S1551-Y1677 WeakPolarHBondContact CA-OH 3.47Å; S1551-D1694 PolarHBondContact OG-OD1 2.75Å; S1551-I1695 WeakPolarHBondContact OG-CG1 3.41Å; S1551-I1695 PolarHBondContact OG-N 3.36Å |
| 1552 | V | 90.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -34.4 | -172.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | F1454 H1513 I1548 S1554 H1557 | F1454-V1552 HydrophobicContact CD2-CG2 4.1Å; F1454-V1552 HydrophobicContact CE2-CG2 4.07Å; F1454-V1552 HydrophobicContact CG-CG2 4.4Å; F1454-V1552 HydrophobicContact CZ-CG2 4.34Å; H1513-V1552 HydrophobicContact CB-CG2 3.99Å; H1513-V1552 WeakPolarHBondContact CD2-CG2 3.2Å; I1548-V1552 HydrophobicContact CG2-CG2 4.13Å; I1548-V1552 VanDerWaalsContact O-CG2 3.26Å; I1548-V1552 WeakPolarHBondContact O-CG2 3.37Å; I1548-V1552 PolarHBondContact O-N 3.12Å; V1552-S1554 VanDerWaalsContact C-N 3.34Å; V1552-H1557 PolarHBondContact O-CD2 3.37Å |
| 1553 | T | 89.4 | Confident | 90.8 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 11.7 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | L1506 A1510 G1549 S1551 M1558 Y1589 K1593 | L1506-T1553 HydrophobicContact CD1-CG2 4.48Å; A1510-T1553 HydrophobicContact CB-CG2 3.76Å; G1549-T1553 WeakPolarHBondContact O-CB 3.35Å; G1549-T1553 PolarHBondContact O-N 3.16Å; G1549-T1553 PolarHBondContact O-OG1 2.78Å; S1551-T1553 VanDerWaalsContact C-N 3.3Å; S1551-T1553 PolarHBondContact O-N 2.84Å; T1553-M1558 WeakPolarHBondContact O-CE 3.39Å; T1553-Y1589 WeakPolarHBondContact O-CE2 3.43Å; T1553-Y1589 PolarHBondContact O-OH 3.39Å; T1553-K1593 VanDerWaalsContact OG1-CE 3.31Å; T1553-K1593 WeakPolarHBondContact OG1-CE 3.36Å; T1553-K1593 PolarHBondContact OG1-NZ 3.46Å |
| 1554 | S | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -70.5 | 151.4 | 173.7 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | L1550 S1551 V1552 E1556 H1557 M1558 C1693 | L1550-S1554 PolarHBondContact O-N 2.82Å; S1551-S1554 VanDerWaalsContact O-CB 3.29Å; S1551-S1554 WeakPolarHBondContact O-CB 3.41Å; S1551-S1554 PolarHBondContact O-N 3.05Å; S1551-S1554 VanDerWaalsContact O-N 3.12Å; S1551-S1554 PolarHBondContact O-OG 2.79Å; V1552-S1554 VanDerWaalsContact C-N 3.34Å; S1554-E1556 PolarHBondContact O-N 2.95Å; S1554-H1557 PolarHBondContact O-N 3.31Å; S1554-H1557 WeakPolarHBondContact OG-CB 3.4Å; S1554-H1557 PolarHBondContact OG-N 3Å; S1554-H1557 VanDerWaalsContact OG-N 3.11Å; S1554-M1558 WeakPolarHBondContact O-CG 3.33Å; S1554-M1558 PolarHBondContact O-N 3.06Å; S1554-C1693 WeakPolarHBondContact CB-O 3.43Å; S1554-C1693 PolarHBondContact OG-O 3.17Å |
| 1555 | I | 87.3 | Confident | 89 | Confident | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.051 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 175.4 | -68.9 | 167.7 | 0 | 0 | 0 | 110.6 | H1557 M1558 K1559 L1564 L1585 E1586 Y1589 | I1555-H1557 PolarHBondContact O-N 2.79Å; I1555-M1558 HydrophobicContact CG1-CE 4.41Å; I1555-M1558 PolarHBondContact O-N 3.45Å; I1555-K1559 HydrophobicContact CG2-CD 4.05Å; I1555-K1559 HydrophobicContact CG2-CG 4.32Å; I1555-K1559 WeakPolarHBondContact O-CB 3.36Å; I1555-K1559 WeakPolarHBondContact O-CG 3.4Å; I1555-K1559 PolarHBondContact O-N 3.11Å; I1555-L1564 HydrophobicContact CG2-CD1 4.19Å; I1555-L1585 HydrophobicContact CD1-CG 4.18Å; I1555-L1585 HydrophobicContact CG2-CD2 4.28Å; I1555-E1586 HydrophobicContact CD1-CB 4.26Å; I1555-E1586 HydrophobicContact CD1-CG 3.59Å; I1555-Y1589 HydrophobicContact CD1-CD1 4.2Å; I1555-Y1589 HydrophobicContact CD1-CG 3.98Å; I1555-Y1589 HydrophobicContact CG1-CD1 4.44Å; I1555-Y1589 HydrophobicContact CG1-CD2 4.34Å; I1555-Y1589 HydrophobicContact CG1-CG 4.08Å |
| 1556 | E | 87.5 | Confident | 87.2 | Confident | 79 Ų | 79 | 29.3 Ų | 29.3 | 37% | 0.369 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 178.9 | -63.6 | -53.2 | 139.7 | 0 | 0 | 112.2 | S1554 K1560 R1692 D1694 | S1554-E1556 PolarHBondContact O-N 2.95Å; E1556-K1560 WeakPolarHBondContact O-CB 3.35Å; E1556-K1560 PolarHBondContact O-N 2.82Å; E1556-R1692 VanDerWaalsContact CG-O 3.28Å; E1556-R1692 WeakPolarHBondContact CG-O 3.26Å; E1556-D1694 HydrophobicContact CB-CB 4.26Å |
| 1557 | H | 90.6 | Very high | 85 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.046 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -40.8 | 177.3 | -162.8 | 79.1 | 0 | 0 | 0 | 112.4 | F1454 S1551 V1552 S1554 I1555 K1560 L1561 D1694 | F1454-H1557 AromaticContact CD2-CE1 3.76Å; S1551-H1557 WeakPolarHBondContact O-CB 3.46Å; V1552-H1557 PolarHBondContact O-CD2 3.37Å; S1554-H1557 PolarHBondContact O-N 3.31Å; S1554-H1557 WeakPolarHBondContact OG-CB 3.4Å; S1554-H1557 PolarHBondContact OG-N 3Å; S1554-H1557 VanDerWaalsContact OG-N 3.11Å; I1555-H1557 PolarHBondContact O-N 2.79Å; H1557-K1560 WeakPolarHBondContact O-CB 3.46Å; H1557-K1560 PolarHBondContact O-N 3.38Å; H1557-L1561 PolarHBondContact O-N 2.85Å; H1557-D1694 HydrophobicContact CB-CB 4.43Å; H1557-D1694 IonicContact CG-OD1 2.73Å; H1557-D1694 IonicContact CG-OD2 3.11Å; H1557-D1694 VanDerWaalsContact ND1-CG 3.33Å; H1557-D1694 IonicContact ND1-OD1 2.95Å; H1557-D1694 PolarHBondContact ND1-OD1 3.28Å; H1557-D1694 VanDerWaalsContact ND1-OD1 3.15Å; H1557-D1694 IonicContact ND1-OD2 3.78Å; H1557-D1694 PolarHBondContact ND1-OD2 3.39Å |
| 1558 | M | 89.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.2 | -71.7 | -170.6 | -74 | 0 | 0 | 112.2 | F1429 A1433 L1506 T1553 S1554 I1555 K1560 L1561 N1562 L1563 L1564 | F1429-M1558 HydrophobicContact CD2-CE 4Å; F1429-M1558 HydrophobicContact CE2-CE 4.19Å; A1433-M1558 HydrophobicContact CB-SD 4.12Å; L1506-M1558 HydrophobicContact CD1-CG 4.34Å; L1506-M1558 HydrophobicContact CD1-SD 3.86Å; L1506-M1558 HydrophobicContact CD2-SD 3.6Å; L1506-M1558 HydrophobicContact CG-SD 4.4Å; T1553-M1558 WeakPolarHBondContact O-CE 3.39Å; S1554-M1558 WeakPolarHBondContact O-CG 3.33Å; S1554-M1558 PolarHBondContact O-N 3.06Å; I1555-M1558 HydrophobicContact CG1-CE 4.41Å; I1555-M1558 PolarHBondContact O-N 3.45Å; M1558-K1560 VanDerWaalsContact C-N 3.33Å; M1558-L1561 CarbonylContact O-C 3.54Å; M1558-L1561 PolarHBondContact O-N 3.32Å; M1558-N1562 PolarHBondContact O-N 3.29Å; M1558-L1563 HydrophobicContact CB-CB 4.29Å; M1558-L1563 PolarHBondContact O-N 3.29Å; M1558-L1564 HydrophobicContact CB-CD1 3.71Å; M1558-L1564 HydrophobicContact CB-CG 3.94Å; M1558-L1564 HydrophobicContact CE-CD1 3.74Å; M1558-L1564 HydrophobicContact SD-CD1 4.23Å; M1558-L1564 HydrophobicContact SD-CG 4.5Å |
| 1559 | K | 85.7 | Confident | 80.1 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 171 | -76.9 | 177.6 | 176.6 | 179.6 | 0 | 111 | I1555 L1561 N1562 L1564 | I1555-K1559 HydrophobicContact CG2-CD 4.05Å; I1555-K1559 HydrophobicContact CG2-CG 4.32Å; I1555-K1559 WeakPolarHBondContact O-CB 3.36Å; I1555-K1559 WeakPolarHBondContact O-CG 3.4Å; I1555-K1559 PolarHBondContact O-N 3.11Å; K1559-L1561 VanDerWaalsContact C-N 3.28Å; K1559-L1561 PolarHBondContact O-N 3.22Å; K1559-N1562 PolarHBondContact O-N 3.22Å; K1559-L1564 HydrophobicContact CG-CB 4.32Å |
| 1560 | K | 87 | Confident | 77.5 | Confident | 100 Ų | 100 | 55.1 Ų | 55.1 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -31.7 | 177 | -172.2 | -178.1 | -178.5 | -177.8 | 0 | 113.4 | E1556 H1557 M1558 N1562 N1697 | E1556-K1560 WeakPolarHBondContact O-CB 3.35Å; E1556-K1560 PolarHBondContact O-N 2.82Å; H1557-K1560 WeakPolarHBondContact O-CB 3.46Å; H1557-K1560 PolarHBondContact O-N 3.38Å; M1558-K1560 VanDerWaalsContact C-N 3.33Å; K1560-N1562 VanDerWaalsContact C-N 3.3Å; K1560-N1697 PolarHBondContact NZ-ND2 3.38Å |
| 1561 | L | 89.2 | Confident | 74.9 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.3 | 173.3 | -65.1 | -179.4 | 0 | 0 | 0 | 113.3 | H1557 M1558 K1559 L1563 | H1557-L1561 PolarHBondContact O-N 2.85Å; M1558-L1561 CarbonylContact O-C 3.54Å; M1558-L1561 PolarHBondContact O-N 3.32Å; K1559-L1561 VanDerWaalsContact C-N 3.28Å; K1559-L1561 PolarHBondContact O-N 3.22Å; L1561-L1563 HydrophobicContact CB-CD1 4.13Å; L1561-L1563 HydrophobicContact CB-CG 3.82Å; L1561-L1563 HydrophobicContact CD1-CD1 4.25Å; L1561-L1563 PolarHBondContact O-N 2.84Å |
| 1562 | N | 87 | Confident | 72.2 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29.5 | -174.1 | -54.2 | -52.3 | 0 | 0 | 0 | 113.7 | Q1440 M1558 K1559 K1560 | Q1440-N1562 PolarHBondContact NE2-O 2.89Å; M1558-N1562 PolarHBondContact O-N 3.29Å; K1559-N1562 PolarHBondContact O-N 3.22Å; K1560-N1562 VanDerWaalsContact C-N 3.3Å |
| 1563 | L | 87 | Confident | 69.7 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -88.1 | -12.5 | 178.4 | -58.7 | -175.1 | 0 | 0 | 0 | 112.8 | A1433 Q1436 M1437 Y1442 L1509 M1558 L1561 | A1433-L1563 WeakPolarHBondContact CA-O 3.33Å; A1433-L1563 HydrophobicContact CB-CB 4.18Å; Q1436-L1563 HydrophobicContact CB-CD2 4.36Å; Q1436-L1563 WeakPolarHBondContact CG-O 3.4Å; M1437-L1563 HydrophobicContact CB-CD2 4.48Å; M1437-L1563 HydrophobicContact CG-CD1 3.89Å; M1437-L1563 HydrophobicContact CG-CD2 3.5Å; M1437-L1563 HydrophobicContact CG-CG 4.31Å; M1437-L1563 HydrophobicContact SD-CD1 4.19Å; Y1442-L1563 HydrophobicContact CE2-CD2 4.44Å; L1509-L1563 HydrophobicContact CD2-CD1 4.23Å; M1558-L1563 HydrophobicContact CB-CB 4.29Å; M1558-L1563 PolarHBondContact O-N 3.29Å; L1561-L1563 HydrophobicContact CB-CD1 4.13Å; L1561-L1563 HydrophobicContact CB-CG 3.82Å; L1561-L1563 HydrophobicContact CD1-CD1 4.25Å; L1561-L1563 PolarHBondContact O-N 2.84Å | ||
| 1564 | L | 82 | Confident | 67 | Low | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.021 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -126.5 | 140.9 | 173 | -65.3 | 173.2 | 0 | 0 | 0 | 108.3 | F1429 Q1432 I1555 M1558 K1559 L1585 | F1429-L1564 HydrophobicContact CB-CD2 4.27Å; Q1432-L1564 HydrophobicContact CG-CD2 4.46Å; I1555-L1564 HydrophobicContact CG2-CD1 4.19Å; M1558-L1564 HydrophobicContact CB-CD1 3.71Å; M1558-L1564 HydrophobicContact CB-CG 3.94Å; M1558-L1564 HydrophobicContact CE-CD1 3.74Å; M1558-L1564 HydrophobicContact SD-CD1 4.23Å; M1558-L1564 HydrophobicContact SD-CG 4.5Å; K1559-L1564 HydrophobicContact CG-CB 4.32Å; L1564-L1585 HydrophobicContact CD1-CD2 4.44Å |
| 1565 | D | 69.7 | Low | 64.5 | Low | 93 Ų | 93 | 84 Ų | 84 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | trans | -65.1 | 141.1 | 179.2 | -63.1 | -53.4 | 0 | 0 | 0 | 111.2 | Q1432 E1567 | Q1432-D1565 PolarHBondContact NE2-OD2 3.46Å; D1565-E1567 PolarHBondContact O-N 3.43Å | ||
| 1566 | H | 54.6 | Low | 62.3 | Low | 135 Ų | 135 | 88.3 Ų | 88.3 | 63% | 0.625 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -73 | -15.1 | 176.9 | -77.2 | -64.9 | 0 | 0 | 0 | 113.3 | E1568 | H1566-E1568 PolarHBondContact O-N 3.2Å; H1566-E1568 VanDerWaalsContact O-N 3.14Å |
| 1567 | E | 48.7 | Very low | 60.1 | Low | 178 Ų | 178 | 88.6 Ų | 88.6 | 83% | 0.832 | 49% | 0.491 | S | S | * | . | trans | -79.6 | 97.8 | -176.7 | -66.6 | -167.2 | 169 | 0 | 0 | 110.6 | D1565 G1569 | D1565-E1567 PolarHBondContact O-N 3.43Å; E1567-G1569 PolarHBondContact O-N 2.95Å | ||
| 1568 | E | 45.7 | Very low | 57.7 | Low | 156 Ų | 156 | 96 Ų | 96 | 73% | 0.729 | 53% | 0.532 | S | S | * | . | trans | -61.9 | 87.6 | 158.3 | -73.6 | 176.6 | -179.3 | 0 | 0 | 108.1 | H1566 N1570 | H1566-E1568 PolarHBondContact O-N 3.2Å; H1566-E1568 VanDerWaalsContact O-N 3.14Å; E1568-N1570 PolarHBondContact O-N 3.1Å; E1568-N1570 VanDerWaalsContact O-N 3.14Å | ||
| 1569 | G | 41.2 | Very low | 55.5 | Low | 63 Ų | 63 | 98.9 Ų | 98.9 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | trans | -51.7 | 123.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | E1567 E1571 | E1567-G1569 PolarHBondContact O-N 2.95Å; G1569-E1571 PolarHBondContact O-N 3.38Å | ||
| 1570 | N | 38.4 | Very low | 53.5 | Low | 157 Ų | 157 | 105 Ų | 105 | 84% | 0.84 | 58% | 0.581 | S | S | * | * | trans | -61.7 | 55 | 173.5 | -79.3 | -38.7 | 0 | 0 | 0 | 112 | E1568 S1572 | E1568-N1570 PolarHBondContact O-N 3.1Å; E1568-N1570 VanDerWaalsContact O-N 3.14Å; N1570-S1572 PolarHBondContact O-N 3.23Å; N1570-S1572 PolarHBondContact O-OG 2.88Å | ||
| 1571 | E | 38.4 | Very low | 52 | Low | 156 Ų | 156 | 107 Ų | 107 | 73% | 0.729 | 60% | 0.596 | S | S | * | * | trans | -75.4 | 80.2 | 166.4 | -76 | -168.5 | 167.9 | 0 | 0 | 108 | G1569 L1573 | G1569-E1571 PolarHBondContact O-N 3.38Å; E1571-L1573 PolarHBondContact O-N 2.96Å | ||
| 1572 | S | 36.3 | Very low | 51 | Low | 107 Ų | 107 | 107.5 Ų | 107.5 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | trans | -53 | 124.6 | 172.3 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | N1570 S1574 | N1570-S1572 PolarHBondContact O-N 3.23Å; N1570-S1572 PolarHBondContact O-OG 2.88Å; S1572-S1574 PolarHBondContact O-N 2.92Å | ||
| 1573 | L | 37.9 | Very low | 50.4 | Low | 117 Ų | 117 | 105.6 Ų | 105.6 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | trans | -44.2 | 121.2 | 170.4 | -73.2 | 154 | 0 | 0 | 0 | 110.3 | E1571 P1575 | E1571-L1573 PolarHBondContact O-N 2.96Å; L1573-P1575 WeakPolarHBondContact O-CD 3.16Å | ||
| 1574 | S | 33.5 | Very low | 49.7 | Very low | 119 Ų | 119 | 110 Ų | 110 | 83% | 0.832 | 61% | 0.612 | S | S | * | * | trans | -65.6 | 120.2 | 152.1 | -133.3 | 0 | 0 | 0 | 0 | 106.4 | S1572 S1576 | S1572-S1574 PolarHBondContact O-N 2.92Å; S1574-S1576 PolarHBondContact O-N 3.15Å | ||
| 1575 | P | 37 | Very low | 49.6 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 76% | 0.76 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -84.1 | 107.6 | -161.2 | 30.8 | -33.1 | 0 | 0 | 0 | 111.5 | L1573 | L1573-P1575 WeakPolarHBondContact O-CD 3.16Š|
| 1576 | S | 42.8 | Very low | 50.2 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | trans | -172.1 | 86.8 | 149.4 | 56.9 | 0 | 0 | 0 | 0 | 109.5 | S1574 | S1574-S1576 PolarHBondContact O-N 3.15Š| ||
| 1577 | I | 39.4 | Very low | 51.6 | Low | 85 Ų | 85 | 103 Ų | 103 | 44% | 0.436 | 58% | 0.579 | S | S | . | * | S | Bend | trans | 171.9 | 112.1 | 147.1 | -81.4 | 148.8 | 0 | 0 | 0 | 104.9 | S1579 A1748 | I1577-S1579 VanDerWaalsContact C-N 3.27Å; I1577-S1579 PolarHBondContact O-N 2.81Å; I1577-A1748 HydrophobicContact CD1-CB 3.84Å; I1577-A1748 HydrophobicContact CG1-CB 4.12Å; I1577-A1748 HydrophobicContact CG2-CB 4.28Å |
| 1578 | D | 41.8 | Very low | 53.2 | Low | 167 Ų | 167 | 96.7 Ų | 96.7 | 89% | 0.893 | 55% | 0.548 | S | S | * | . | trans | -70.4 | 60.8 | -171.6 | -71.6 | -41.1 | 0 | 0 | 0 | 114.3 | ||||
| 1579 | S | 42.9 | Very low | 55.2 | Low | 61 Ų | 61 | 89.3 Ų | 89.3 | 43% | 0.427 | 51% | 0.514 | S | S | . | . | trans | -112.3 | 90.3 | 165.7 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | I1577 D1581 | I1577-S1579 VanDerWaalsContact C-N 3.27Å; I1577-S1579 PolarHBondContact O-N 2.81Å; S1579-D1581 VanDerWaalsContact C-N 3.3Å; S1579-D1581 PolarHBondContact O-N 2.87Å; S1579-D1581 VanDerWaalsContact O-N 3.09Å | ||
| 1580 | H | 44 | Very low | 57.5 | Low | 170 Ų | 170 | 86.3 Ų | 86.3 | 79% | 0.787 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 5.1 | -162.8 | -120 | -42.3 | 0 | 0 | 0 | 117.7 | ||
| 1581 | D | 55.7 | Low | 60 | Low | 142 Ų | 142 | 79 Ų | 79 | 76% | 0.759 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 12.9 | -165.8 | -88.8 | -29.8 | 0 | 0 | 0 | 117.5 | S1579 R1692 | S1579-D1581 VanDerWaalsContact C-N 3.3Å; S1579-D1581 PolarHBondContact O-N 2.87Å; S1579-D1581 VanDerWaalsContact O-N 3.09Å; D1581-R1692 PolarHBondContact O-NH2 3.34Å |
| 1582 | M | 67.7 | Low | 62.3 | Low | 39 Ų | 39 | 71.9 Ų | 71.9 | 19% | 0.192 | 41% | 0.412 | C | S | . | . | trans | -120.1 | 127.9 | 178.8 | -175 | 166.4 | 35.2 | 0 | 0 | 112.4 | E1586 L1587 L1590 P1741 | M1582-E1586 HydrophobicContact CG-CB 3.62Å; M1582-E1586 HydrophobicContact SD-CB 4.21Å; M1582-L1587 HydrophobicContact CE-CD1 3.98Å; M1582-L1587 HydrophobicContact CG-CB 4.4Å; M1582-L1587 HydrophobicContact SD-CB 4.12Å; M1582-L1587 HydrophobicContact SD-CD1 4.37Å; M1582-L1590 HydrophobicContact SD-CD1 3.76Å; M1582-P1741 HydrophobicContact CE-CB 3.24Å; M1582-P1741 HydrophobicContact SD-CB 3.63Å | ||
| 1583 | S | 73.1 | Confident | 64.8 | Low | 52 Ų | 52 | 68 Ų | 68 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | trans | -73.5 | 157.8 | 175.1 | 66.1 | 0 | 0 | 0 | 0 | 112 | L1585 E1586 L1587 | S1583-L1585 PolarHBondContact O-N 3.12Å; S1583-E1586 PolarHBondContact N-OE2 3.07Å; S1583-E1586 PolarHBondContact O-N 2.96Å; S1583-E1586 WeakPolarHBondContact OG-CB 3.44Å; S1583-E1586 WeakPolarHBondContact OG-CG 3.48Å; S1583-E1586 PolarHBondContact OG-N 3.42Å; S1583-E1586 PolarHBondContact OG-OE2 3.36Å; S1583-E1586 VanDerWaalsContact OG-OE2 3.05Å; S1583-L1587 PolarHBondContact O-N 3.32Å | ||
| 1584 | Q | 74.1 | Confident | 67.4 | Low | 93 Ų | 93 | 62.4 Ų | 62.4 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.4 | -36.5 | 172.9 | -74 | -66.4 | -24.8 | 0 | 0 | 112.1 | K1588 | Q1584-K1588 WeakPolarHBondContact O-CB 3.41Å; Q1584-K1588 WeakPolarHBondContact O-CG 3.29Å; Q1584-K1588 PolarHBondContact O-N 2.64Å |
| 1585 | L | 79.2 | Confident | 70.2 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 28% | 0.277 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.8 | 179.7 | 63.3 | 0 | 0 | 0 | 112.1 | F1429 I1555 L1564 S1583 K1588 Y1589 | F1429-L1585 HydrophobicContact CB-CD1 3.81Å; I1555-L1585 HydrophobicContact CD1-CG 4.18Å; I1555-L1585 HydrophobicContact CG2-CD2 4.28Å; L1564-L1585 HydrophobicContact CD1-CD2 4.44Å; S1583-L1585 PolarHBondContact O-N 3.12Å; L1585-K1588 PolarHBondContact O-N 3.46Å; L1585-Y1589 WeakPolarHBondContact O-CB 3.2Å; L1585-Y1589 PolarHBondContact O-N 2.92Å |
| 1586 | E | 82.6 | Confident | 72.7 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 178 | -75.7 | 171.5 | 138.6 | 0 | 0 | 112.7 | I1555 M1582 S1583 K1588 Y1589 L1590 R1692 | I1555-E1586 HydrophobicContact CD1-CB 4.26Å; I1555-E1586 HydrophobicContact CD1-CG 3.59Å; M1582-E1586 HydrophobicContact CG-CB 3.62Å; M1582-E1586 HydrophobicContact SD-CB 4.21Å; S1583-E1586 PolarHBondContact N-OE2 3.07Å; S1583-E1586 PolarHBondContact O-N 2.96Å; S1583-E1586 WeakPolarHBondContact OG-CB 3.44Å; S1583-E1586 WeakPolarHBondContact OG-CG 3.48Å; S1583-E1586 PolarHBondContact OG-N 3.42Å; S1583-E1586 PolarHBondContact OG-OE2 3.36Å; S1583-E1586 VanDerWaalsContact OG-OE2 3.05Å; E1586-K1588 VanDerWaalsContact C-N 3.34Å; E1586-K1588 PolarHBondContact O-N 3.02Å; E1586-Y1589 WeakPolarHBondContact O-CB 3.13Å; E1586-Y1589 PolarHBondContact O-N 3.14Å; E1586-L1590 WeakPolarHBondContact O-CB 3.33Å; E1586-L1590 WeakPolarHBondContact O-CG 3.37Å; E1586-L1590 PolarHBondContact O-N 2.85Å; E1586-R1692 VanDerWaalsContact CD-NH2 3.27Å; E1586-R1692 IonicContact OE1-CZ 3.04Å; E1586-R1692 IonicContact OE1-NE 2.93Å; E1586-R1692 PolarHBondContact OE1-NE 2.76Å; E1586-R1692 IonicContact OE1-NH2 3.62Å; E1586-R1692 PolarHBondContact OE1-NH2 3.11Å; E1586-R1692 IonicContact OE2-NH2 3.63Å; E1586-R1692 PolarHBondContact OE2-NH2 3.04Å |
| 1587 | L | 83.6 | Confident | 75.1 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 175.8 | 178.9 | 64.4 | 0 | 0 | 0 | 110.6 | M1582 S1583 Y1589 L1590 Y1591 L1742 W1745 | M1582-L1587 HydrophobicContact CE-CD1 3.98Å; M1582-L1587 HydrophobicContact CG-CB 4.4Å; M1582-L1587 HydrophobicContact SD-CB 4.12Å; M1582-L1587 HydrophobicContact SD-CD1 4.37Å; S1583-L1587 PolarHBondContact O-N 3.32Å; L1587-Y1589 VanDerWaalsContact C-N 3.34Å; L1587-Y1589 PolarHBondContact O-N 3.19Å; L1587-L1590 PolarHBondContact O-N 3.07Å; L1587-Y1591 VanDerWaalsContact O-CB 3.27Å; L1587-Y1591 WeakPolarHBondContact O-CB 3.48Å; L1587-Y1591 PolarHBondContact O-N 3.18Å; L1587-L1742 HydrophobicContact CD1-CD1 3.8Å; L1587-W1745 HydrophobicContact CD1-CB 3.85Å; L1587-W1745 HydrophobicContact CD1-CD2 3.76Å; L1587-W1745 HydrophobicContact CD1-CE3 4.1Å; L1587-W1745 HydrophobicContact CD1-CG 3.61Å; L1587-W1745 HydrophobicContact CD2-CD2 3.96Å; L1587-W1745 HydrophobicContact CD2-CG 4Å; L1587-W1745 HydrophobicContact CD2-CZ2 4.22Å; L1587-W1745 HydrophobicContact CG-CD2 4.38Å; L1587-W1745 HydrophobicContact CG-CG 4.45Å |
| 1588 | K | 82.5 | Confident | 77.8 | Confident | 45 Ų | 45 | 46 Ų | 46 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.2 | -72.1 | 174.7 | 177.5 | 178.1 | 0 | 112.4 | E1422 A1425 Q1584 L1585 E1586 Y1591 A1592 | E1422-K1588 WeakPolarHBondContact OE2-CE 3.37Å; A1425-K1588 VanDerWaalsContact CB-NZ 3.29Å; Q1584-K1588 WeakPolarHBondContact O-CB 3.41Å; Q1584-K1588 WeakPolarHBondContact O-CG 3.29Å; Q1584-K1588 PolarHBondContact O-N 2.64Å; L1585-K1588 PolarHBondContact O-N 3.46Å; E1586-K1588 VanDerWaalsContact C-N 3.34Å; E1586-K1588 PolarHBondContact O-N 3.02Å; K1588-Y1591 PolarHBondContact O-N 3.41Å; K1588-A1592 WeakPolarHBondContact O-CB 3.34Å; K1588-A1592 PolarHBondContact O-N 3.31Å |
| 1589 | Y | 86.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -52.6 | 175.8 | 169.1 | -102.7 | 0 | 0 | 0 | 112.2 | F1429 T1553 I1555 L1585 E1586 L1587 Y1591 A1592 K1593 H1691 Y1738 | F1429-Y1589 HydrophobicContact CD2-CD2 4.49Å; F1429-Y1589 HydrophobicContact CE1-CD2 4.43Å; F1429-Y1589 AromaticContact CE2-CD2 3.77Å; F1429-Y1589 HydrophobicContact CE2-CD2 3.77Å; F1429-Y1589 HydrophobicContact CE2-CE2 4.41Å; F1429-Y1589 AromaticContact CZ-CD2 3.73Å; F1429-Y1589 HydrophobicContact CZ-CD2 3.73Å; T1553-Y1589 WeakPolarHBondContact O-CE2 3.43Å; T1553-Y1589 PolarHBondContact O-OH 3.39Å; I1555-Y1589 HydrophobicContact CD1-CD1 4.2Å; I1555-Y1589 HydrophobicContact CD1-CG 3.98Å; I1555-Y1589 HydrophobicContact CG1-CD1 4.44Å; I1555-Y1589 HydrophobicContact CG1-CD2 4.34Å; I1555-Y1589 HydrophobicContact CG1-CG 4.08Å; L1585-Y1589 WeakPolarHBondContact O-CB 3.2Å; L1585-Y1589 PolarHBondContact O-N 2.92Å; E1586-Y1589 WeakPolarHBondContact O-CB 3.13Å; E1586-Y1589 PolarHBondContact O-N 3.14Å; L1587-Y1589 VanDerWaalsContact C-N 3.34Å; L1587-Y1589 PolarHBondContact O-N 3.19Å; Y1589-Y1591 VanDerWaalsContact C-N 3.29Å; Y1589-Y1591 PolarHBondContact O-N 3.28Å; Y1589-A1592 PolarHBondContact O-N 2.81Å; Y1589-K1593 HydrophobicContact CD2-CG 4.31Å; Y1589-K1593 HydrophobicContact CE1-CG 4.28Å; Y1589-K1593 HydrophobicContact CE2-CD 4.46Å; Y1589-K1593 HydrophobicContact CE2-CG 3.8Å; Y1589-K1593 WeakPolarHBondContact O-CB 3.33Å; Y1589-K1593 WeakPolarHBondContact O-CG 3.36Å; Y1589-K1593 PolarHBondContact O-N 2.87Å; Y1589-H1691 HydrophobicContact CE1-CB 4.35Å; Y1589-Y1738 VanDerWaalsContact CE1-OH 3.29Å; Y1589-Y1738 WeakPolarHBondContact CE1-OH 3.35Å; Y1589-Y1738 PolarHBondContact OH-OH 3.25Å |
| 1590 | L | 90.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.6 | -73.6 | 177.2 | 0 | 0 | 0 | 110.8 | M1582 E1586 L1587 K1593 A1594 H1691 Y1738 F1739 P1741 L1742 | M1582-L1590 HydrophobicContact SD-CD1 3.76Å; E1586-L1590 WeakPolarHBondContact O-CB 3.33Å; E1586-L1590 WeakPolarHBondContact O-CG 3.37Å; E1586-L1590 PolarHBondContact O-N 2.85Å; L1587-L1590 PolarHBondContact O-N 3.07Å; L1590-K1593 PolarHBondContact O-N 3.46Å; L1590-A1594 WeakPolarHBondContact O-CB 3.21Å; L1590-A1594 PolarHBondContact O-N 3.29Å; L1590-H1691 HydrophobicContact CD2-CB 3.65Å; L1590-Y1738 HydrophobicContact CD2-CD1 4Å; L1590-Y1738 HydrophobicContact CD2-CE1 3.66Å; L1590-F1739 HydrophobicContact CD2-CD1 4.2Å; L1590-F1739 HydrophobicContact CD2-CE1 4.48Å; L1590-F1739 WeakPolarHBondContact O-CE1 3.35Å; L1590-P1741 HydrophobicContact CD1-CB 4.11Å; L1590-P1741 HydrophobicContact CD1-CG 4.3Å; L1590-L1742 HydrophobicContact CB-CB 3.98Å; L1590-L1742 HydrophobicContact CB-CD2 4.29Å; L1590-L1742 HydrophobicContact CD1-CB 4.31Å |
| 1591 | Y | 90 | Very high | 85.3 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 179.4 | -173.2 | -125.1 | 0 | 0 | 0 | 111.9 | L1380 H1383 L1418 T1421 L1587 K1588 Y1589 K1593 A1594 L1595 L1742 L1746 | L1380-Y1591 HydrophobicContact CD1-CD2 4.22Å; L1380-Y1591 HydrophobicContact CD1-CE2 3.69Å; H1383-Y1591 AromaticContact CD2-CE2 3.81Å; H1383-Y1591 AromaticContact CD2-CZ 3.74Å; H1383-Y1591 PolarHBondContact CD2-OH 3.07Å; H1383-Y1591 VanDerWaalsContact CD2-OH 3.27Å; H1383-Y1591 AromaticContact NE2-CZ 3.91Å; L1418-Y1591 HydrophobicContact CD2-CD1 3.8Å; L1418-Y1591 HydrophobicContact CD2-CE1 4.07Å; T1421-Y1591 WeakPolarHBondContact CB-OH 3.49Å; T1421-Y1591 WeakPolarHBondContact CG2-OH 3.34Å; T1421-Y1591 WeakPolarHBondContact OG1-CE1 3.27Å; T1421-Y1591 PolarHBondContact OG1-OH 2.89Å; L1587-Y1591 VanDerWaalsContact O-CB 3.27Å; L1587-Y1591 WeakPolarHBondContact O-CB 3.48Å; L1587-Y1591 PolarHBondContact O-N 3.18Å; K1588-Y1591 PolarHBondContact O-N 3.41Å; Y1589-Y1591 VanDerWaalsContact C-N 3.29Å; Y1589-Y1591 PolarHBondContact O-N 3.28Å; Y1591-K1593 VanDerWaalsContact C-N 3.32Å; Y1591-K1593 PolarHBondContact O-N 3.12Å; Y1591-A1594 WeakPolarHBondContact O-CB 3.22Å; Y1591-A1594 PolarHBondContact O-N 2.77Å; Y1591-A1594 VanDerWaalsContact O-N 3.15Å; Y1591-L1595 HydrophobicContact CD1-CD1 4.11Å; Y1591-L1595 HydrophobicContact CD2-CG 4.45Å; Y1591-L1595 HydrophobicContact CE1-CD1 3.68Å; Y1591-L1595 HydrophobicContact CE1-CG 4.41Å; Y1591-L1595 HydrophobicContact CE2-CD1 4.27Å; Y1591-L1595 HydrophobicContact CE2-CD2 4.17Å; Y1591-L1595 HydrophobicContact CE2-CG 4.13Å; Y1591-L1595 WeakPolarHBondContact O-CG 3.44Å; Y1591-L1595 PolarHBondContact O-N 3.05Å; Y1591-L1742 HydrophobicContact CD2-CD1 3.95Å; Y1591-L1742 HydrophobicContact CD2-CD2 4.39Å; Y1591-L1742 HydrophobicContact CG-CD1 4.32Å; Y1591-L1746 HydrophobicContact CD2-CD2 4.37Å; Y1591-L1746 HydrophobicContact CE2-CD2 4.07Å |
| 1592 | A | 86.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 20.3 Ų | 20.3 | 6% | 0.058 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.9 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1418 F1429 K1588 Y1589 A1594 L1595 E1596 | L1418-A1592 HydrophobicContact CD1-CB 3.76Å; L1418-A1592 HydrophobicContact CD2-CB 4.11Å; F1429-A1592 HydrophobicContact CE1-CB 3.55Å; F1429-A1592 HydrophobicContact CZ-CB 3.87Å; K1588-A1592 WeakPolarHBondContact O-CB 3.34Å; K1588-A1592 PolarHBondContact O-N 3.31Å; Y1589-A1592 PolarHBondContact O-N 2.81Å; A1592-A1594 VanDerWaalsContact C-N 3.35Å; A1592-L1595 PolarHBondContact O-N 3.27Å; A1592-E1596 PolarHBondContact O-N 3.28Å |
| 1593 | K | 90.1 | Very high | 88.6 | Confident | 25 Ų | 25 | 18.7 Ų | 18.7 | 11% | 0.109 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 175.5 | -78.1 | -71.5 | 168.1 | -158.3 | 0 | 112.7 | T1553 Y1589 L1590 Y1591 E1596 I1597 F1739 | T1553-K1593 VanDerWaalsContact OG1-CE 3.31Å; T1553-K1593 WeakPolarHBondContact OG1-CE 3.36Å; T1553-K1593 PolarHBondContact OG1-NZ 3.46Å; Y1589-K1593 HydrophobicContact CD2-CG 4.31Å; Y1589-K1593 HydrophobicContact CE1-CG 4.28Å; Y1589-K1593 HydrophobicContact CE2-CD 4.46Å; Y1589-K1593 HydrophobicContact CE2-CG 3.8Å; Y1589-K1593 WeakPolarHBondContact O-CB 3.33Å; Y1589-K1593 WeakPolarHBondContact O-CG 3.36Å; Y1589-K1593 PolarHBondContact O-N 2.87Å; L1590-K1593 PolarHBondContact O-N 3.46Å; Y1591-K1593 VanDerWaalsContact C-N 3.32Å; Y1591-K1593 PolarHBondContact O-N 3.12Å; K1593-E1596 IonicContact NZ-OE2 3.27Å; K1593-E1596 PolarHBondContact NZ-OE2 3.42Å; K1593-E1596 PolarHBondContact O-N 3.45Å; K1593-I1597 HydrophobicContact CD-CD1 4.36Å; K1593-I1597 WeakPolarHBondContact O-CB 3.38Å; K1593-I1597 WeakPolarHBondContact O-CG1 3.11Å; K1593-I1597 PolarHBondContact O-N 2.79Å; K1593-F1739 HydrophobicContact CB-CE1 3.89Å; K1593-F1739 HydrophobicContact CB-CZ 4.13Å |
| 1594 | A | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1376 L1380 L1590 Y1591 A1592 E1596 I1597 V1598 P1599 F1739 L1742 | F1376-A1594 HydrophobicContact CZ-CB 3.92Å; L1380-A1594 HydrophobicContact CD2-CB 4.28Å; L1590-A1594 WeakPolarHBondContact O-CB 3.21Å; L1590-A1594 PolarHBondContact O-N 3.29Å; Y1591-A1594 WeakPolarHBondContact O-CB 3.22Å; Y1591-A1594 PolarHBondContact O-N 2.77Å; Y1591-A1594 VanDerWaalsContact O-N 3.15Å; A1592-A1594 VanDerWaalsContact C-N 3.35Å; A1594-E1596 VanDerWaalsContact C-N 3.25Å; A1594-E1596 PolarHBondContact O-N 2.87Å; A1594-I1597 PolarHBondContact O-N 3.12Å; A1594-V1598 HydrophobicContact CB-CG2 4.14Å; A1594-V1598 WeakPolarHBondContact O-CB 3.39Å; A1594-V1598 WeakPolarHBondContact O-CG2 3.21Å; A1594-V1598 PolarHBondContact O-N 2.76Å; A1594-P1599 WeakPolarHBondContact O-CD 3.22Å; A1594-F1739 HydrophobicContact CB-CD1 4.06Å; A1594-F1739 HydrophobicContact CB-CE1 3.78Å; A1594-F1739 HydrophobicContact CB-CZ 4.37Å; A1594-L1742 HydrophobicContact CB-CD2 3.39Å |
| 1595 | L | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.9 | -30.5 | 176 | -68.6 | 178.4 | 0 | 0 | 0 | 113.1 | L1380 V1384 W1414 L1418 Y1591 A1592 P1599 | L1380-L1595 HydrophobicContact CD1-CD2 3.91Å; L1380-L1595 HydrophobicContact CD2-CD2 4.43Å; L1380-L1595 HydrophobicContact CG-CD2 4.37Å; V1384-L1595 HydrophobicContact CG2-CD2 3.63Å; W1414-L1595 HydrophobicContact CB-CB 4.01Å; W1414-L1595 HydrophobicContact CB-CD2 3.81Å; W1414-L1595 HydrophobicContact CB-CG 4.43Å; W1414-L1595 HydrophobicContact CE3-CD2 3.98Å; W1414-L1595 PolarHBondContact N-O 3.21Å; L1418-L1595 HydrophobicContact CD2-CD1 3.66Å; L1418-L1595 HydrophobicContact CG-CD1 4.02Å; Y1591-L1595 HydrophobicContact CD1-CD1 4.11Å; Y1591-L1595 HydrophobicContact CD2-CG 4.45Å; Y1591-L1595 HydrophobicContact CE1-CD1 3.68Å; Y1591-L1595 HydrophobicContact CE1-CG 4.41Å; Y1591-L1595 HydrophobicContact CE2-CD1 4.27Å; Y1591-L1595 HydrophobicContact CE2-CD2 4.17Å; Y1591-L1595 HydrophobicContact CE2-CG 4.13Å; Y1591-L1595 WeakPolarHBondContact O-CG 3.44Å; Y1591-L1595 PolarHBondContact O-N 3.05Å; A1592-L1595 PolarHBondContact O-N 3.27Å; L1595-P1599 WeakPolarHBondContact O-CD 3.43Å; L1595-P1599 WeakPolarHBondContact O-CG 3.34Å |
| 1596 | E | 89.5 | Confident | 91.4 | Very high | 66 Ų | 66 | 9.4 Ų | 9.4 | 31% | 0.308 | 4% | 0.044 | S | C | . | . | H | α-helix | trans | -74.7 | -49 | 174.1 | -175.6 | -170.5 | 175.2 | 0 | 0 | 112.2 | A1592 K1593 A1594 | A1592-E1596 PolarHBondContact O-N 3.28Å; K1593-E1596 IonicContact NZ-OE2 3.27Å; K1593-E1596 PolarHBondContact NZ-OE2 3.42Å; K1593-E1596 PolarHBondContact O-N 3.45Å; A1594-E1596 VanDerWaalsContact C-N 3.25Å; A1594-E1596 PolarHBondContact O-N 2.87Å |
| 1597 | I | 93.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 8.6 Ų | 8.6 | 4% | 0.041 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -91.9 | -47.9 | -166.2 | -63.5 | 172.3 | 0 | 0 | 0 | 112.2 | L1550 K1593 A1594 S1600 L1601 F1674 M1735 F1739 | L1550-I1597 HydrophobicContact CD2-CD1 4.38Å; K1593-I1597 HydrophobicContact CD-CD1 4.36Å; K1593-I1597 WeakPolarHBondContact O-CB 3.38Å; K1593-I1597 WeakPolarHBondContact O-CG1 3.11Å; K1593-I1597 PolarHBondContact O-N 2.79Å; A1594-I1597 PolarHBondContact O-N 3.12Å; I1597-S1600 PolarHBondContact O-N 3.35Å; I1597-S1600 VanDerWaalsContact O-N 3.12Å; I1597-S1600 PolarHBondContact O-OG 2.75Å; I1597-L1601 PolarHBondContact O-N 3.47Å; I1597-F1674 HydrophobicContact CD1-CE2 4.49Å; I1597-F1674 HydrophobicContact CD1-CZ 3.83Å; I1597-F1674 HydrophobicContact CG2-CE2 4.16Å; I1597-F1674 HydrophobicContact CG2-CZ 4.33Å; I1597-M1735 HydrophobicContact CG2-CE 4.43Å; I1597-F1739 HydrophobicContact CD1-CZ 4.45Å |
| 1598 | V | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -41.9 | -168.8 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | F1376 Y1377 L1380 A1594 S1600 P1602 M1735 | F1376-V1598 HydrophobicContact CD1-CG1 4.41Å; F1376-V1598 HydrophobicContact CD1-CG2 3.97Å; F1376-V1598 HydrophobicContact CE1-CB 4.44Å; F1376-V1598 HydrophobicContact CE1-CG1 4.38Å; F1376-V1598 HydrophobicContact CE1-CG2 3.23Å; F1376-V1598 HydrophobicContact CZ-CG2 3.65Å; Y1377-V1598 HydrophobicContact CD2-CG1 3.77Å; Y1377-V1598 HydrophobicContact CG-CG1 4.48Å; L1380-V1598 HydrophobicContact CD2-CB 3.77Å; L1380-V1598 HydrophobicContact CD2-CG1 3.87Å; L1380-V1598 HydrophobicContact CD2-CG2 4.34Å; A1594-V1598 HydrophobicContact CB-CG2 4.14Å; A1594-V1598 WeakPolarHBondContact O-CB 3.39Å; A1594-V1598 WeakPolarHBondContact O-CG2 3.21Å; A1594-V1598 PolarHBondContact O-N 2.76Å; V1598-S1600 VanDerWaalsContact C-N 3.31Å; V1598-S1600 PolarHBondContact O-N 3.27Å; V1598-P1602 WeakPolarHBondContact O-CD 3.33Å; V1598-M1735 HydrophobicContact CG2-CE 3.69Å |
| 1599 | P | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.006 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -27.6 | 174.4 | -21.9 | 36 | 0 | 0 | 0 | 114.5 | N1412 W1414 A1594 L1595 L1601 P1602 H1603 | N1412-P1599 CarbonylContact O-C 3.55Å; W1414-P1599 HydrophobicContact CB-CG 4.19Å; W1414-P1599 HydrophobicContact CD2-CB 3.74Å; W1414-P1599 HydrophobicContact CD2-CG 3.19Å; W1414-P1599 VanDerWaalsContact CE2-CB 3.43Å; W1414-P1599 VanDerWaalsContact CE2-CG 3.45Å; W1414-P1599 HydrophobicContact CE3-CB 4.34Å; W1414-P1599 HydrophobicContact CE3-CG 3.43Å; W1414-P1599 VanDerWaalsContact CE3-CG 3.43Å; W1414-P1599 HydrophobicContact CG-CB 4.01Å; W1414-P1599 HydrophobicContact CG-CG 3.54Å; W1414-P1599 HydrophobicContact CH2-CB 4.41Å; W1414-P1599 HydrophobicContact CH2-CG 4.14Å; W1414-P1599 HydrophobicContact CZ2-CB 3.81Å; W1414-P1599 HydrophobicContact CZ2-CG 3.93Å; W1414-P1599 HydrophobicContact CZ3-CG 3.91Å; A1594-P1599 WeakPolarHBondContact O-CD 3.22Å; L1595-P1599 WeakPolarHBondContact O-CD 3.43Å; L1595-P1599 WeakPolarHBondContact O-CG 3.34Å; P1599-L1601 VanDerWaalsContact C-N 3.31Å; P1599-L1601 PolarHBondContact O-N 3.34Å; P1599-P1602 WeakPolarHBondContact O-CD 3.47Å; P1599-H1603 WeakPolarHBondContact O-CB 3.46Å; P1599-H1603 PolarHBondContact O-N 3.05Å |
| 1600 | S | 94.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.007 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -72.5 | -25.6 | -178.5 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | N1412 I1597 V1598 A1604 Q1670 | N1412-S1600 VanDerWaalsContact O-CA 3.29Å; N1412-S1600 WeakPolarHBondContact O-CA 3.24Å; N1412-S1600 VanDerWaalsContact O-CB 3.29Å; N1412-S1600 WeakPolarHBondContact O-CB 3.34Å; N1412-S1600 PolarHBondContact O-N 2.95Å; N1412-S1600 VanDerWaalsContact O-N 3.12Å; I1597-S1600 PolarHBondContact O-N 3.35Å; I1597-S1600 VanDerWaalsContact O-N 3.12Å; I1597-S1600 PolarHBondContact O-OG 2.75Å; V1598-S1600 VanDerWaalsContact C-N 3.31Å; V1598-S1600 PolarHBondContact O-N 3.27Å; S1600-A1604 VanDerWaalsContact O-CB 3.25Å; S1600-A1604 WeakPolarHBondContact O-CB 3.2Å; S1600-A1604 PolarHBondContact O-N 3.41Å; S1600-Q1670 VanDerWaalsContact OG-CD 3.28Å; S1600-Q1670 PolarHBondContact OG-NE2 2.81Å; S1600-Q1670 PolarHBondContact OG-OE1 3.48Å |
| 1601 | L | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.9 | -61 | 177.6 | -71.2 | 168.1 | 0 | 0 | 0 | 113.3 | I1373 I1597 P1599 H1603 A1604 Y1605 F1667 Q1670 I1671 M1735 | I1373-L1601 HydrophobicContact CD1-CD1 4.08Å; I1373-L1601 HydrophobicContact CG2-CD1 4.21Å; I1597-L1601 PolarHBondContact O-N 3.47Å; P1599-L1601 VanDerWaalsContact C-N 3.31Å; P1599-L1601 PolarHBondContact O-N 3.34Å; L1601-H1603 PolarHBondContact O-N 3.37Å; L1601-A1604 PolarHBondContact O-N 2.92Å; L1601-Y1605 PolarHBondContact O-N 2.73Å; L1601-F1667 HydrophobicContact CB-CD2 4.17Å; L1601-F1667 HydrophobicContact CB-CE2 4.37Å; L1601-F1667 HydrophobicContact CD2-CD2 3.99Å; L1601-F1667 HydrophobicContact CD2-CE2 4.45Å; L1601-F1667 WeakPolarHBondContact O-CD2 3.11Å; L1601-Q1670 HydrophobicContact CD2-CB 3.56Å; L1601-Q1670 HydrophobicContact CG-CB 4.49Å; L1601-I1671 HydrophobicContact CD2-CD1 4.41Å; L1601-I1671 HydrophobicContact CD2-CG1 3.88Å; L1601-M1735 HydrophobicContact CD1-CE 3.5Å; L1601-M1735 VanDerWaalsContact CD1-CE 3.5Å; L1601-M1735 HydrophobicContact CD1-SD 3.73Å |
| 1602 | P | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.5 | -28.1 | 178.2 | 27.2 | -33.8 | 0 | 0 | 0 | 111.8 | W1370 Y1377 V1598 P1599 V1606 Q1636 | W1370-P1602 HydrophobicContact CE3-CB 4.16Å; W1370-P1602 HydrophobicContact CH2-CB 3.43Å; W1370-P1602 VanDerWaalsContact CH2-CB 3.43Å; W1370-P1602 HydrophobicContact CH2-CG 3.56Å; W1370-P1602 HydrophobicContact CZ2-CB 3.86Å; W1370-P1602 HydrophobicContact CZ2-CG 4.39Å; W1370-P1602 HydrophobicContact CZ3-CB 3.61Å; W1370-P1602 HydrophobicContact CZ3-CG 3.76Å; Y1377-P1602 HydrophobicContact CD2-CG 4Å; Y1377-P1602 HydrophobicContact CE2-CG 3.64Å; V1598-P1602 WeakPolarHBondContact O-CD 3.33Å; P1599-P1602 WeakPolarHBondContact O-CD 3.47Å; P1602-V1606 WeakPolarHBondContact O-CB 3.33Å; P1602-V1606 WeakPolarHBondContact O-CG2 3.07Å; P1602-V1606 PolarHBondContact O-N 3.16Å; P1602-Q1636 HydrophobicContact CB-CG 3.69Å; P1602-Q1636 HydrophobicContact CG-CG 3.82Å; P1602-Q1636 PolarHBondContact O-NE2 3.2Å |
| 1603 | H | 96.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.019 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 171.7 | 170.8 | 71.2 | 0 | 0 | 0 | 112.2 | N1412 P1599 L1601 T1607 K1632 E1654 | N1412-H1603 HydrophobicContact CB-CB 3.67Å; N1412-H1603 WeakPolarHBondContact CB-CD2 2.95Å; N1412-H1603 PolarHBondContact ND2-CD2 2.84Å; N1412-H1603 PolarHBondContact ND2-NE2 3.35Å; P1599-H1603 WeakPolarHBondContact O-CB 3.46Å; P1599-H1603 PolarHBondContact O-N 3.05Å; L1601-H1603 PolarHBondContact O-N 3.37Å; H1603-T1607 WeakPolarHBondContact O-CB 3.29Å; H1603-T1607 PolarHBondContact O-N 2.68Å; H1603-T1607 PolarHBondContact O-OG1 3.18Å; H1603-K1632 PolarHBondContact ND1-NZ 2.76Å; H1603-K1632 VanDerWaalsContact ND1-NZ 3.16Å; H1603-E1654 IonicContact CE1-OE2 3.11Å; H1603-E1654 PolarHBondContact CE1-OE2 2.87Å; H1603-E1654 IonicContact NE2-OE2 3.72Å |
| 1604 | A | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1600 L1601 Q1663 R1666 F1667 | S1600-A1604 VanDerWaalsContact O-CB 3.25Å; S1600-A1604 WeakPolarHBondContact O-CB 3.2Å; S1600-A1604 PolarHBondContact O-N 3.41Å; L1601-A1604 PolarHBondContact O-N 2.92Å; A1604-Q1663 HydrophobicContact CB-CB 4.31Å; A1604-Q1663 WeakPolarHBondContact O-CB 3.26Å; A1604-R1666 HydrophobicContact CB-CB 4.14Å; A1604-R1666 HydrophobicContact CB-CG 4.44Å; A1604-F1667 HydrophobicContact CB-CB 4.15Å |
| 1605 | Y | 96.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 1% | 0.012 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.6 | -51.7 | 177.9 | 177.9 | -144.2 | 0 | 0 | 0 | 112.5 | E1367 W1370 L1601 T1607 D1608 L1609 Y1635 I1664 | E1367-Y1605 PolarHBondContact OE2-OH 3.27Å; E1367-Y1605 VanDerWaalsContact OE2-OH 3.11Å; W1370-Y1605 HydrophobicContact CB-CD1 4.24Å; W1370-Y1605 HydrophobicContact CB-CE1 4.21Å; W1370-Y1605 HydrophobicContact CG-CD1 4.34Å; W1370-Y1605 HydrophobicContact CG-CE1 4.46Å; L1601-Y1605 PolarHBondContact O-N 2.73Å; Y1605-T1607 VanDerWaalsContact C-N 3.27Å; Y1605-T1607 PolarHBondContact O-N 3.1Å; Y1605-D1608 PolarHBondContact O-N 3.48Å; Y1605-L1609 HydrophobicContact CD2-CB 4.45Å; Y1605-L1609 HydrophobicContact CE1-CD2 4.46Å; Y1605-L1609 HydrophobicContact CE2-CB 4.24Å; Y1605-L1609 HydrophobicContact CE2-CD2 4.45Å; Y1605-L1609 VanDerWaalsContact O-CB 3.32Å; Y1605-L1609 WeakPolarHBondContact O-CB 3.36Å; Y1605-L1609 PolarHBondContact O-N 3.1Å; Y1605-Y1635 HydrophobicContact CD1-CD1 4.07Å; Y1605-Y1635 HydrophobicContact CD1-CE1 4.03Å; Y1605-Y1635 AromaticContact CE1-CD1 4Å; Y1605-Y1635 HydrophobicContact CE1-CD1 4Å; Y1605-Y1635 AromaticContact CE1-CE1 3.47Å; Y1605-Y1635 HydrophobicContact CE1-CE1 3.47Å; Y1605-Y1635 VanDerWaalsContact CE1-CE1 3.47Å; Y1605-I1664 HydrophobicContact CD2-CD1 3.89Å |
| 1606 | V | 95 | Very high | 95 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.6 | -37.1 | -179.2 | 166.5 | 0 | 0 | 0 | 0 | 112.1 | P1602 D1608 L1609 Y1610 W1628 L1631 Y1635 | P1602-V1606 WeakPolarHBondContact O-CB 3.33Å; P1602-V1606 WeakPolarHBondContact O-CG2 3.07Å; P1602-V1606 PolarHBondContact O-N 3.16Å; V1606-D1608 VanDerWaalsContact C-N 3.34Å; V1606-D1608 PolarHBondContact O-N 3.29Å; V1606-L1609 PolarHBondContact O-N 2.81Å; V1606-Y1610 WeakPolarHBondContact O-CB 3.37Å; V1606-Y1610 PolarHBondContact O-N 3.31Å; V1606-W1628 HydrophobicContact CG1-CZ3 4.46Å; V1606-L1631 HydrophobicContact CG1-CB 3.72Å; V1606-Y1635 HydrophobicContact CG2-CD1 4.41Å; V1606-Y1635 HydrophobicContact CG2-CD2 3.85Å; V1606-Y1635 HydrophobicContact CG2-CG 3.63Å |
| 1607 | T | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | -177.4 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | H1603 Y1605 R1611 W1628 V1657 Q1663 | H1603-T1607 WeakPolarHBondContact O-CB 3.29Å; H1603-T1607 PolarHBondContact O-N 2.68Å; H1603-T1607 PolarHBondContact O-OG1 3.18Å; Y1605-T1607 VanDerWaalsContact C-N 3.27Å; Y1605-T1607 PolarHBondContact O-N 3.1Å; T1607-R1611 WeakPolarHBondContact O-CD 3.37Å; T1607-R1611 VanDerWaalsContact O-CG 3.29Å; T1607-R1611 WeakPolarHBondContact O-CG 3.29Å; T1607-R1611 PolarHBondContact O-N 3.4Å; T1607-W1628 HydrophobicContact CG2-CH2 4.45Å; T1607-V1657 HydrophobicContact CG2-CG2 4.01Å; T1607-Q1663 HydrophobicContact CG2-CB 4.45Å; T1607-Q1663 HydrophobicContact CG2-CG 3.9Å |
| 1608 | D | 94.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -81.9 | -34.3 | 176.9 | -84.1 | 5.9 | 0 | 0 | 0 | 112.6 | Y1605 V1606 Y1610 R1611 W1612 P1662 Q1663 I1664 | Y1605-D1608 PolarHBondContact O-N 3.48Å; V1606-D1608 VanDerWaalsContact C-N 3.34Å; V1606-D1608 PolarHBondContact O-N 3.29Å; D1608-Y1610 PolarHBondContact O-N 3.41Å; D1608-R1611 PolarHBondContact O-N 3.45Å; D1608-R1611 VanDerWaalsContact O-N 3.12Å; D1608-R1611 IonicContact OD1-CZ 2.74Å; D1608-R1611 IonicContact OD1-NH1 2.69Å; D1608-R1611 PolarHBondContact OD1-NH1 3.42Å; D1608-W1612 HydrophobicContact CB-CD2 4.42Å; D1608-W1612 HydrophobicContact CB-CZ2 4Å; D1608-W1612 WeakPolarHBondContact O-CB 3.37Å; D1608-W1612 VanDerWaalsContact O-CD2 3.3Å; D1608-W1612 PolarHBondContact O-N 2.66Å; D1608-P1662 WeakPolarHBondContact OD2-CA 3.3Å; D1608-Q1663 PolarHBondContact OD1-N 2.9Å; D1608-Q1663 VanDerWaalsContact OD1-N 3.12Å; D1608-Q1663 PolarHBondContact OD2-N 3.31Å; D1608-I1664 HydrophobicContact CB-CB 4.2Å; D1608-I1664 WeakPolarHBondContact OD2-CB 3.46Å; D1608-I1664 PolarHBondContact OD2-N 3.1Å |
| 1609 | L | 95.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 16.4 Ų | 16.4 | 7% | 0.068 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.8 | -41.5 | 171.5 | -178.6 | 63.6 | 0 | 0 | 0 | 111.5 | Y1605 V1606 W1612 K1613 L1631 Y1635 | Y1605-L1609 HydrophobicContact CD2-CB 4.45Å; Y1605-L1609 HydrophobicContact CE1-CD2 4.46Å; Y1605-L1609 HydrophobicContact CE2-CB 4.24Å; Y1605-L1609 HydrophobicContact CE2-CD2 4.45Å; Y1605-L1609 VanDerWaalsContact O-CB 3.32Å; Y1605-L1609 WeakPolarHBondContact O-CB 3.36Å; Y1605-L1609 PolarHBondContact O-N 3.1Å; V1606-L1609 PolarHBondContact O-N 2.81Å; L1609-W1612 HydrophobicContact CD1-CE3 4.46Å; L1609-K1613 HydrophobicContact CD1-CD 4.5Å; L1609-K1613 HydrophobicContact CG-CD 4.39Å; L1609-K1613 WeakPolarHBondContact O-CB 3.25Å; L1609-K1613 VanDerWaalsContact O-CG 3.26Å; L1609-K1613 WeakPolarHBondContact O-CG 3.27Å; L1609-K1613 PolarHBondContact O-N 3.16Å; L1609-L1631 HydrophobicContact CD2-CD2 4.33Å; L1609-Y1635 HydrophobicContact CD2-CE2 3.73Å |
| 1610 | Y | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 173.7 | 171.7 | -109.1 | 0 | 0 | 0 | 111.5 | V1606 D1608 K1613 I1614 I1619 L1624 A1627 W1628 L1631 A1651 | V1606-Y1610 WeakPolarHBondContact O-CB 3.37Å; V1606-Y1610 PolarHBondContact O-N 3.31Å; D1608-Y1610 PolarHBondContact O-N 3.41Å; Y1610-K1613 PolarHBondContact O-N 3.5Å; Y1610-I1614 HydrophobicContact CD1-CD1 3.74Å; Y1610-I1614 HydrophobicContact CD2-CD1 4.17Å; Y1610-I1614 HydrophobicContact CE1-CD1 3.3Å; Y1610-I1614 HydrophobicContact CE2-CD1 3.79Å; Y1610-I1614 HydrophobicContact CE2-CG1 4.43Å; Y1610-I1614 HydrophobicContact CG-CD1 4.16Å; Y1610-I1614 WeakPolarHBondContact O-CG1 3.34Å; Y1610-I1614 PolarHBondContact O-N 3.49Å; Y1610-I1619 HydrophobicContact CD2-CD1 3.69Å; Y1610-I1619 HydrophobicContact CE2-CD1 4.08Å; Y1610-L1624 VanDerWaalsContact CE2-O 3.27Å; Y1610-L1624 WeakPolarHBondContact CE2-O 3.33Å; Y1610-L1624 PolarHBondContact OH-O 2.87Å; Y1610-A1627 HydrophobicContact CE2-CB 4.27Å; Y1610-W1628 AromaticContact CD1-CE3 3.66Å; Y1610-W1628 HydrophobicContact CD1-CE3 3.66Å; Y1610-W1628 AromaticContact CD1-CZ3 3.96Å; Y1610-W1628 HydrophobicContact CD1-CZ3 3.96Å; Y1610-W1628 HydrophobicContact CD2-CB 4.36Å; Y1610-W1628 HydrophobicContact CD2-CE3 4.07Å; Y1610-W1628 AromaticContact CE1-CE3 3.99Å; Y1610-W1628 HydrophobicContact CE1-CE3 3.99Å; Y1610-W1628 HydrophobicContact CE2-CB 3.83Å; Y1610-W1628 HydrophobicContact CE2-CE3 4.37Å; Y1610-W1628 AromaticContact CG-CE3 3.69Å; Y1610-W1628 HydrophobicContact CG-CE3 3.69Å; Y1610-W1628 HydrophobicContact CG-CZ3 4.14Å; Y1610-L1631 HydrophobicContact CD2-CD1 3.93Å; Y1610-L1631 HydrophobicContact CG-CD1 4.32Å; Y1610-A1651 HydrophobicContact CD1-CB 4.43Å; Y1610-A1651 HydrophobicContact CE1-CB 3.6Å |
| 1611 | R | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | -178.9 | -69.7 | 162.7 | 75.5 | -166.6 | 16.7 | 112.2 | W1353 T1607 D1608 K1613 I1614 M1615 N1660 I1661 | W1353-R1611 HydrophobicContact CZ3-CB 4.48Å; W1353-R1611 VanDerWaalsContact CZ3-CZ 3.43Å; T1607-R1611 WeakPolarHBondContact O-CD 3.37Å; T1607-R1611 VanDerWaalsContact O-CG 3.29Å; T1607-R1611 WeakPolarHBondContact O-CG 3.29Å; T1607-R1611 PolarHBondContact O-N 3.4Å; D1608-R1611 PolarHBondContact O-N 3.45Å; D1608-R1611 VanDerWaalsContact O-N 3.12Å; D1608-R1611 IonicContact OD1-CZ 2.74Å; D1608-R1611 IonicContact OD1-NH1 2.69Å; D1608-R1611 PolarHBondContact OD1-NH1 3.42Å; R1611-K1613 VanDerWaalsContact C-N 3.34Å; R1611-K1613 PolarHBondContact O-N 3.15Å; R1611-I1614 WeakPolarHBondContact O-CB 3.38Å; R1611-I1614 PolarHBondContact O-N 2.94Å; R1611-M1615 HydrophobicContact CB-CE 4.17Å; R1611-M1615 WeakPolarHBondContact O-CB 3.37Å; R1611-M1615 WeakPolarHBondContact O-CG 3.33Å; R1611-M1615 PolarHBondContact O-N 2.93Å; R1611-N1660 PolarHBondContact NH2-O 3.14Å; R1611-N1660 PolarHBondContact NH2-OD1 3.41Å; R1611-I1661 PolarHBondContact NH1-O 3.28Å |
| 1612 | W | 94.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 173.5 | -61.3 | -22.9 | 0 | 0 | 0 | 111.6 | W1353 Q1354 L1362 N1363 D1608 L1609 I1614 M1615 N1616 I1664 | W1353-W1612 AromaticContact CE3-NE1 3.81Å; Q1354-W1612 HydrophobicContact CG-CH2 4.33Å; Q1354-W1612 HydrophobicContact CG-CZ2 3.9Å; L1362-W1612 HydrophobicContact CD2-CH2 4.23Å; N1363-W1612 VanDerWaalsContact OD1-CE3 3.25Å; N1363-W1612 WeakPolarHBondContact OD1-CZ3 3.36Å; D1608-W1612 HydrophobicContact CB-CD2 4.42Å; D1608-W1612 HydrophobicContact CB-CZ2 4Å; D1608-W1612 WeakPolarHBondContact O-CB 3.37Å; D1608-W1612 VanDerWaalsContact O-CD2 3.3Å; D1608-W1612 PolarHBondContact O-N 2.66Å; L1609-W1612 HydrophobicContact CD1-CE3 4.46Å; W1612-I1614 VanDerWaalsContact C-N 3.28Å; W1612-I1614 PolarHBondContact O-N 3.2Å; W1612-M1615 PolarHBondContact O-N 3.49Å; W1612-N1616 WeakPolarHBondContact O-CB 3.48Å; W1612-N1616 VanDerWaalsContact O-CG 3.25Å; W1612-N1616 PolarHBondContact O-N 2.73Å; W1612-N1616 PolarHBondContact O-OD1 2.82Å; W1612-I1664 HydrophobicContact CH2-CB 4.05Å; W1612-I1664 HydrophobicContact CH2-CD1 3.66Å; W1612-I1664 HydrophobicContact CH2-CG1 3.65Å; W1612-I1664 HydrophobicContact CH2-CG2 4.44Å; W1612-I1664 HydrophobicContact CZ2-CB 3.95Å; W1612-I1664 HydrophobicContact CZ2-CD1 4.42Å; W1612-I1664 HydrophobicContact CZ2-CG1 4.04Å; W1612-I1664 HydrophobicContact CZ2-CG2 3.98Å; W1612-I1664 HydrophobicContact CZ3-CD1 4.37Å |
| 1613 | K | 95.5 | Very high | 93.8 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 27% | 0.265 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.3 | -28 | 175.3 | -76.7 | -179.9 | 178.7 | -174.2 | 0 | 113.3 | L1609 Y1610 R1611 N1616 T1618 I1619 | L1609-K1613 HydrophobicContact CD1-CD 4.5Å; L1609-K1613 HydrophobicContact CG-CD 4.39Å; L1609-K1613 WeakPolarHBondContact O-CB 3.25Å; L1609-K1613 VanDerWaalsContact O-CG 3.26Å; L1609-K1613 WeakPolarHBondContact O-CG 3.27Å; L1609-K1613 PolarHBondContact O-N 3.16Å; Y1610-K1613 PolarHBondContact O-N 3.5Å; R1611-K1613 VanDerWaalsContact C-N 3.34Å; R1611-K1613 PolarHBondContact O-N 3.15Å; K1613-N1616 VanDerWaalsContact CA-OD1 3.3Å; K1613-N1616 WeakPolarHBondContact CA-OD1 3.42Å; K1613-N1616 PolarHBondContact O-OD1 3.15Å; K1613-T1618 HydrophobicContact CB-CG2 4.49Å; K1613-T1618 HydrophobicContact CD-CG2 4.47Å; K1613-T1618 HydrophobicContact CG-CG2 4.32Å; K1613-T1618 CarbonylContact O-C 3.59Å; K1613-T1618 WeakPolarHBondContact O-CA 3.42Å; K1613-T1618 WeakPolarHBondContact O-CB 3.41Å; K1613-T1618 PolarHBondContact O-N 3.25Å; K1613-I1619 HydrophobicContact CB-CD1 3.51Å; K1613-I1619 HydrophobicContact CB-CG1 3.85Å; K1613-I1619 HydrophobicContact CD-CD1 4.32Å; K1613-I1619 PolarHBondContact O-N 3.13Å |
| 1614 | I | 95.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.2 | -46.8 | 170.3 | -68.1 | 162.4 | 0 | 0 | 0 | 110.1 | F1330 I1334 Y1610 R1611 W1612 N1616 G1617 I1619 M1621 L1624 | F1330-I1614 HydrophobicContact CE1-CD1 4.18Å; F1330-I1614 HydrophobicContact CZ-CD1 4.18Å; I1334-I1614 HydrophobicContact CD1-CG2 4.4Å; I1334-I1614 HydrophobicContact CG1-CG2 4.16Å; I1334-I1614 HydrophobicContact CG2-CG2 3.95Å; Y1610-I1614 HydrophobicContact CD1-CD1 3.74Å; Y1610-I1614 HydrophobicContact CD2-CD1 4.17Å; Y1610-I1614 HydrophobicContact CE1-CD1 3.3Å; Y1610-I1614 HydrophobicContact CE2-CD1 3.79Å; Y1610-I1614 HydrophobicContact CE2-CG1 4.43Å; Y1610-I1614 HydrophobicContact CG-CD1 4.16Å; Y1610-I1614 WeakPolarHBondContact O-CG1 3.34Å; Y1610-I1614 PolarHBondContact O-N 3.49Å; R1611-I1614 WeakPolarHBondContact O-CB 3.38Å; R1611-I1614 PolarHBondContact O-N 2.94Å; W1612-I1614 VanDerWaalsContact C-N 3.28Å; W1612-I1614 PolarHBondContact O-N 3.2Å; I1614-N1616 PolarHBondContact O-N 2.97Å; I1614-G1617 PolarHBondContact O-N 2.92Å; I1614-G1617 VanDerWaalsContact O-N 3.16Å; I1614-I1619 HydrophobicContact CG1-CB 3.93Å; I1614-I1619 HydrophobicContact CG1-CD1 4.27Å; I1614-I1619 HydrophobicContact CG1-CG2 3.96Å; I1614-M1621 HydrophobicContact CG2-CE 4.11Å; I1614-L1624 HydrophobicContact CD1-CD2 3.6Å; I1614-L1624 HydrophobicContact CG1-CD2 3.76Å; I1614-L1624 HydrophobicContact CG2-CD2 4.37Å |
| 1615 | M | 95.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | -176.9 | -71 | 164.3 | -173.1 | 0 | 0 | 112 | I1334 F1337 N1338 D1348 A1349 G1350 W1353 R1611 W1612 G1617 | I1334-M1615 HydrophobicContact CD1-CE 3.76Å; I1334-M1615 HydrophobicContact CD1-CG 4.16Å; F1337-M1615 HydrophobicContact CD1-CE 3.93Å; F1337-M1615 HydrophobicContact CE1-CE 3.92Å; N1338-M1615 PolarHBondContact ND2-O 2.9Å; D1348-M1615 HydrophobicContact CB-CB 4.25Å; D1348-M1615 WeakPolarHBondContact CB-O 3.4Å; A1349-M1615 HydrophobicContact CB-CG 4.29Å; A1349-M1615 HydrophobicContact CB-SD 3.92Å; G1350-M1615 PolarHBondContact N-SD 3.36Å; G1350-M1615 VanDerWaalsContact N-SD 3.36Å; W1353-M1615 HydrophobicContact CH2-CE 3.62Å; W1353-M1615 HydrophobicContact CZ2-CE 4.42Å; W1353-M1615 HydrophobicContact CZ3-CE 3.81Å; W1353-M1615 HydrophobicContact CZ3-SD 4.36Å; R1611-M1615 HydrophobicContact CB-CE 4.17Å; R1611-M1615 WeakPolarHBondContact O-CB 3.37Å; R1611-M1615 WeakPolarHBondContact O-CG 3.33Å; R1611-M1615 PolarHBondContact O-N 2.93Å; W1612-M1615 PolarHBondContact O-N 3.49Å; M1615-G1617 PolarHBondContact O-N 3.36Å |
| 1616 | N | 93.9 | Very high | 93.2 | Very high | 83 Ų | 83 | 36.6 Ų | 36.6 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 0.7 | 177.6 | 78.4 | 0.2 | 0 | 0 | 0 | 113.9 | D1348 W1612 K1613 I1614 T1618 | D1348-N1616 VanDerWaalsContact OD2-CB 3.3Å; D1348-N1616 WeakPolarHBondContact OD2-CB 3.36Å; W1612-N1616 WeakPolarHBondContact O-CB 3.48Å; W1612-N1616 VanDerWaalsContact O-CG 3.25Å; W1612-N1616 PolarHBondContact O-N 2.73Å; W1612-N1616 PolarHBondContact O-OD1 2.82Å; K1613-N1616 VanDerWaalsContact CA-OD1 3.3Å; K1613-N1616 WeakPolarHBondContact CA-OD1 3.42Å; K1613-N1616 PolarHBondContact O-OD1 3.15Å; I1614-N1616 PolarHBondContact O-N 2.97Å; N1616-T1618 PolarHBondContact ND2-OG1 3.26Å; N1616-T1618 VanDerWaalsContact OD1-CB 3.25Å; N1616-T1618 WeakPolarHBondContact OD1-CB 3.44Å; N1616-T1618 PolarHBondContact OD1-N 3.31Å; N1616-T1618 PolarHBondContact OD1-OG1 3.5Å |
| 1617 | G | 92.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 56% | 0.557 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81 | 7.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | I1614 M1615 I1619 | I1614-G1617 PolarHBondContact O-N 2.92Å; I1614-G1617 VanDerWaalsContact O-N 3.16Å; M1615-G1617 PolarHBondContact O-N 3.36Å; G1617-I1619 VanDerWaalsContact C-N 3.33Å |
| 1618 | T | 94.3 | Very high | 93.1 | Very high | 90 Ų | 90 | 37.2 Ų | 37.2 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -65.7 | -34 | 175 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | K1613 N1616 | K1613-T1618 HydrophobicContact CB-CG2 4.49Å; K1613-T1618 HydrophobicContact CD-CG2 4.47Å; K1613-T1618 HydrophobicContact CG-CG2 4.32Å; K1613-T1618 CarbonylContact O-C 3.59Å; K1613-T1618 WeakPolarHBondContact O-CA 3.42Å; K1613-T1618 WeakPolarHBondContact O-CB 3.41Å; K1613-T1618 PolarHBondContact O-N 3.25Å; N1616-T1618 PolarHBondContact ND2-OG1 3.26Å; N1616-T1618 VanDerWaalsContact OD1-CB 3.25Å; N1616-T1618 WeakPolarHBondContact OD1-CB 3.44Å; N1616-T1618 PolarHBondContact OD1-N 3.31Å; N1616-T1618 PolarHBondContact OD1-OG1 3.5Å |
| 1619 | I | 94.5 | Very high | 92.9 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -105.6 | 117.8 | 175.6 | -66.9 | 166.7 | 0 | 0 | 0 | 108.4 | Y1610 K1613 I1614 G1617 L1624 A1627 L1631 | Y1610-I1619 HydrophobicContact CD2-CD1 3.69Å; Y1610-I1619 HydrophobicContact CE2-CD1 4.08Å; K1613-I1619 HydrophobicContact CB-CD1 3.51Å; K1613-I1619 HydrophobicContact CB-CG1 3.85Å; K1613-I1619 HydrophobicContact CD-CD1 4.32Å; K1613-I1619 PolarHBondContact O-N 3.13Å; I1614-I1619 HydrophobicContact CG1-CB 3.93Å; I1614-I1619 HydrophobicContact CG1-CD1 4.27Å; I1614-I1619 HydrophobicContact CG1-CG2 3.96Å; G1617-I1619 VanDerWaalsContact C-N 3.33Å; I1619-L1624 HydrophobicContact CG2-CD2 4.14Å; I1619-A1627 HydrophobicContact CB-CB 4.41Å; I1619-A1627 HydrophobicContact CD1-CB 3.71Å; I1619-A1627 HydrophobicContact CG1-CB 3.84Å; I1619-A1627 HydrophobicContact CG2-CB 3.65Å; I1619-L1631 HydrophobicContact CD1-CD1 4.41Å |
| 1620 | E | 89.6 | Confident | 92.7 | Very high | 119 Ų | 119 | 44.5 Ų | 44.5 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | trans | -73.1 | 151.3 | 175.5 | -65.1 | -169.2 | 173.3 | 0 | 0 | 112.2 | N1622 E1623 | E1620-N1622 WeakPolarHBondContact CB-OD1 3.49Å; E1620-N1622 PolarHBondContact O-N 3.25Å; E1620-N1622 VanDerWaalsContact O-N 3.1Å; E1620-N1622 PolarHBondContact OE2-OD1 3.19Å; E1620-E1623 PolarHBondContact O-N 3.01Å | ||
| 1621 | M | 87.1 | Confident | 92.6 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 34% | 0.335 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.8 | -174.5 | -72 | -68.3 | -179.4 | 0 | 0 | 115 | K1331 I1334 I1614 L1624 | K1331-M1621 HydrophobicContact CG-SD 3.92Å; I1334-M1621 HydrophobicContact CB-CE 3.87Å; I1334-M1621 HydrophobicContact CG1-CE 4.47Å; I1334-M1621 HydrophobicContact CG2-CE 3.62Å; I1614-M1621 HydrophobicContact CG2-CE 4.11Å; M1621-L1624 WeakPolarHBondContact O-CD1 3.11Å; M1621-L1624 WeakPolarHBondContact O-CG 3.43Å; M1621-L1624 HydrophobicContact SD-CD1 4.1Å; M1621-L1624 HydrophobicContact SD-CD2 4.29Å |
| 1622 | N | 86.7 | Confident | 92.5 | Very high | 96 Ų | 96 | 45.3 Ų | 45.3 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -17 | 173.5 | 57.3 | -10.7 | 0 | 0 | 0 | 112.6 | E1620 Y1646 | E1620-N1622 WeakPolarHBondContact CB-OD1 3.49Å; E1620-N1622 PolarHBondContact O-N 3.25Å; E1620-N1622 VanDerWaalsContact O-N 3.1Å; E1620-N1622 PolarHBondContact OE2-OD1 3.19Å; N1622-Y1646 WeakPolarHBondContact O-CD1 3.29Å |
| 1623 | E | 90.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -102.3 | 2.8 | -177.9 | -63.8 | -167.1 | 150 | 0 | 0 | 113.5 | E1620 N1625 N1626 A1627 | E1620-E1623 PolarHBondContact O-N 3.01Å; E1623-N1625 VanDerWaalsContact C-N 3.3Å; E1623-N1625 PolarHBondContact O-N 3.49Å; E1623-N1625 VanDerWaalsContact O-N 3.09Å; E1623-N1626 PolarHBondContact O-N 3.09Å; E1623-N1626 VanDerWaalsContact O-N 3.11Å; E1623-A1627 WeakPolarHBondContact O-CB 3.47Å; E1623-A1627 PolarHBondContact O-N 3.38Å |
| 1624 | L | 92.5 | Very high | 92 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -46.3 | -47.5 | -171.3 | -68.3 | 175 | 0 | 0 | 0 | 113.9 | L1327 F1330 Y1610 I1614 I1619 M1621 W1628 F1649 | L1327-L1624 HydrophobicContact CD1-CD1 3.67Å; F1330-L1624 HydrophobicContact CD1-CD1 4.5Å; Y1610-L1624 VanDerWaalsContact CE2-O 3.27Å; Y1610-L1624 WeakPolarHBondContact CE2-O 3.33Å; Y1610-L1624 PolarHBondContact OH-O 2.87Å; I1614-L1624 HydrophobicContact CD1-CD2 3.6Å; I1614-L1624 HydrophobicContact CG1-CD2 3.76Å; I1614-L1624 HydrophobicContact CG2-CD2 4.37Å; I1619-L1624 HydrophobicContact CG2-CD2 4.14Å; M1621-L1624 WeakPolarHBondContact O-CD1 3.11Å; M1621-L1624 WeakPolarHBondContact O-CG 3.43Å; M1621-L1624 HydrophobicContact SD-CD1 4.1Å; M1621-L1624 HydrophobicContact SD-CD2 4.29Å; L1624-W1628 WeakPolarHBondContact O-CB 3.47Å; L1624-W1628 PolarHBondContact O-N 3.23Å; L1624-W1628 VanDerWaalsContact O-N 3.11Å; L1624-F1649 HydrophobicContact CB-CD2 4.18Å; L1624-F1649 HydrophobicContact CB-CE2 4.29Å; L1624-F1649 HydrophobicContact CD1-CD2 4.34Å; L1624-F1649 HydrophobicContact CD1-CE2 4.22Å |
| 1625 | N | 92.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.9 | -40.9 | -176.2 | -154.9 | 42.8 | 0 | 0 | 0 | 112.7 | E1623 A1627 W1628 W1629 S1645 N1648 D1650 | E1623-N1625 VanDerWaalsContact C-N 3.3Å; E1623-N1625 PolarHBondContact O-N 3.49Å; E1623-N1625 VanDerWaalsContact O-N 3.09Å; N1625-A1627 VanDerWaalsContact C-N 3.35Å; N1625-W1628 WeakPolarHBondContact O-CB 3.33Å; N1625-W1628 PolarHBondContact O-N 3.11Å; N1625-W1629 PolarHBondContact O-N 3.06Å; N1625-W1629 VanDerWaalsContact O-N 3.08Å; N1625-S1645 PolarHBondContact ND2-O 2.97Å; N1625-N1648 VanDerWaalsContact CB-O 3.23Å; N1625-N1648 WeakPolarHBondContact CB-O 3.49Å; N1625-D1650 WeakPolarHBondContact OD1-CB 3.45Å; N1625-D1650 PolarHBondContact OD1-N 3.05Å |
| 1626 | N | 90.5 | Very high | 91.8 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 177 | -72.2 | -13.1 | 0 | 0 | 0 | 111 | E1623 W1629 K1630 Y1646 | E1623-N1626 PolarHBondContact O-N 3.09Å; E1623-N1626 VanDerWaalsContact O-N 3.11Å; N1626-W1629 PolarHBondContact O-N 3.11Å; N1626-K1630 WeakPolarHBondContact O-CB 3.41Å; N1626-K1630 PolarHBondContact O-N 3.39Å; N1626-Y1646 WeakPolarHBondContact ND2-CE1 3.36Å; N1626-Y1646 PolarHBondContact ND2-OH 3.36Å |
| 1627 | A | 92.8 | Very high | 91.7 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1610 I1619 E1623 N1625 K1630 L1631 | Y1610-A1627 HydrophobicContact CE2-CB 4.27Å; I1619-A1627 HydrophobicContact CB-CB 4.41Å; I1619-A1627 HydrophobicContact CD1-CB 3.71Å; I1619-A1627 HydrophobicContact CG1-CB 3.84Å; I1619-A1627 HydrophobicContact CG2-CB 3.65Å; E1623-A1627 WeakPolarHBondContact O-CB 3.47Å; E1623-A1627 PolarHBondContact O-N 3.38Å; N1625-A1627 VanDerWaalsContact C-N 3.35Å; A1627-K1630 PolarHBondContact O-N 3.24Å; A1627-L1631 WeakPolarHBondContact O-CG 3.43Å; A1627-L1631 PolarHBondContact O-N 3.24Å |
| 1628 | W | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58 | -53.4 | 173.1 | 175.1 | -110.1 | 0 | 0 | 0 | 111.4 | V1606 T1607 Y1610 L1624 N1625 K1630 L1631 K1632 A1651 E1654 | V1606-W1628 HydrophobicContact CG1-CZ3 4.46Å; T1607-W1628 HydrophobicContact CG2-CH2 4.45Å; Y1610-W1628 AromaticContact CD1-CE3 3.66Å; Y1610-W1628 HydrophobicContact CD1-CE3 3.66Å; Y1610-W1628 AromaticContact CD1-CZ3 3.96Å; Y1610-W1628 HydrophobicContact CD1-CZ3 3.96Å; Y1610-W1628 HydrophobicContact CD2-CB 4.36Å; Y1610-W1628 HydrophobicContact CD2-CE3 4.07Å; Y1610-W1628 AromaticContact CE1-CE3 3.99Å; Y1610-W1628 HydrophobicContact CE1-CE3 3.99Å; Y1610-W1628 HydrophobicContact CE2-CB 3.83Å; Y1610-W1628 HydrophobicContact CE2-CE3 4.37Å; Y1610-W1628 AromaticContact CG-CE3 3.69Å; Y1610-W1628 HydrophobicContact CG-CE3 3.69Å; Y1610-W1628 HydrophobicContact CG-CZ3 4.14Å; L1624-W1628 WeakPolarHBondContact O-CB 3.47Å; L1624-W1628 PolarHBondContact O-N 3.23Å; L1624-W1628 VanDerWaalsContact O-N 3.11Å; N1625-W1628 WeakPolarHBondContact O-CB 3.33Å; N1625-W1628 PolarHBondContact O-N 3.11Å; W1628-K1630 VanDerWaalsContact C-N 3.33Å; W1628-K1630 PolarHBondContact O-N 3.33Å; W1628-L1631 PolarHBondContact O-N 2.84Å; W1628-K1632 HydrophobicContact CD2-CG 4.28Å; W1628-K1632 HydrophobicContact CZ2-CD 4.33Å; W1628-K1632 HydrophobicContact CZ2-CG 4.25Å; W1628-K1632 WeakPolarHBondContact O-CB 3.37Å; W1628-K1632 WeakPolarHBondContact O-CG 3.41Å; W1628-K1632 PolarHBondContact O-N 3.24Å; W1628-A1651 HydrophobicContact CB-CB 4.43Å; W1628-A1651 HydrophobicContact CD2-CB 3.77Å; W1628-A1651 HydrophobicContact CE3-CB 3.9Å; W1628-A1651 HydrophobicContact CG-CB 4.02Å; W1628-A1651 HydrophobicContact CZ3-CB 4.37Å; W1628-E1654 HydrophobicContact CH2-CG 4.13Å; W1628-E1654 HydrophobicContact CZ2-CG 3.89Å |
| 1629 | W | 91.9 | Very high | 91.4 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.8 | -29.5 | -179.8 | -77.1 | 113 | 0 | 0 | 0 | 113.5 | W1315 A1403 N1625 N1626 K1632 K1633 I1638 P1640 P1644 D1650 | W1315-W1629 AromaticContact CH2-CH2 3.86Å; W1315-W1629 HydrophobicContact CH2-CH2 3.86Å; W1315-W1629 AromaticContact CH2-CZ2 3.37Å; W1315-W1629 HydrophobicContact CH2-CZ2 3.37Å; W1315-W1629 AromaticContact CZ2-CH2 3.5Å; W1315-W1629 HydrophobicContact CZ2-CH2 3.5Å; W1315-W1629 AromaticContact CZ2-CZ2 3.43Å; W1315-W1629 HydrophobicContact CZ2-CZ2 3.43Å; W1315-W1629 VanDerWaalsContact CZ2-CZ2 3.43Å; A1403-W1629 HydrophobicContact CB-CH2 4.1Å; N1625-W1629 PolarHBondContact O-N 3.06Å; N1625-W1629 VanDerWaalsContact O-N 3.08Å; N1626-W1629 PolarHBondContact O-N 3.11Å; W1629-K1632 HydrophobicContact CE3-CB 3.87Å; W1629-K1632 HydrophobicContact CE3-CG 4.35Å; W1629-K1632 HydrophobicContact CZ3-CB 4.15Å; W1629-K1632 HydrophobicContact CZ3-CG 4.4Å; W1629-K1633 VanDerWaalsContact O-CB 3.28Å; W1629-K1633 WeakPolarHBondContact O-CB 3.46Å; W1629-K1633 PolarHBondContact O-N 2.82Å; W1629-I1638 HydrophobicContact CZ3-CG2 4.36Å; W1629-P1640 HydrophobicContact CD2-CB 3.92Å; W1629-P1640 HydrophobicContact CD2-CG 3.62Å; W1629-P1640 HydrophobicContact CE3-CB 4.16Å; W1629-P1640 HydrophobicContact CE3-CG 3.91Å; W1629-P1640 HydrophobicContact CG-CG 3.97Å; W1629-P1640 HydrophobicContact CH2-CB 3.92Å; W1629-P1640 HydrophobicContact CZ2-CB 3.69Å; W1629-P1640 HydrophobicContact CZ2-CG 4.35Å; W1629-P1640 HydrophobicContact CZ3-CB 4.14Å; W1629-P1640 HydrophobicContact CZ3-CG 4.34Å; W1629-P1644 HydrophobicContact CB-CG 4.04Å; W1629-P1644 HydrophobicContact CG-CG 3.98Å; W1629-D1650 PolarHBondContact NE1-OD2 2.84Å |
| 1630 | K | 90.9 | Very high | 91.1 | Very high | 152 Ų | 152 | 38 Ų | 38 | 66% | 0.661 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.7 | -48.4 | 170.3 | -173.7 | 178 | -178.7 | 179.1 | 0 | 110.7 | N1626 A1627 W1628 K1633 T1634 | N1626-K1630 WeakPolarHBondContact O-CB 3.41Å; N1626-K1630 PolarHBondContact O-N 3.39Å; A1627-K1630 PolarHBondContact O-N 3.24Å; W1628-K1630 VanDerWaalsContact C-N 3.33Å; W1628-K1630 PolarHBondContact O-N 3.33Å; K1630-K1633 PolarHBondContact O-N 3.22Å; K1630-T1634 WeakPolarHBondContact O-CB 3.47Å; K1630-T1634 PolarHBondContact O-N 3.06Å; K1630-T1634 PolarHBondContact O-OG1 3.05Å |
| 1631 | L | 93.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -40.1 | 178.2 | -68.2 | 171.7 | 0 | 0 | 0 | 112.7 | V1606 L1609 Y1610 I1619 A1627 W1628 T1634 Y1635 | V1606-L1631 HydrophobicContact CG1-CB 3.72Å; L1609-L1631 HydrophobicContact CD2-CD2 4.33Å; Y1610-L1631 HydrophobicContact CD2-CD1 3.93Å; Y1610-L1631 HydrophobicContact CG-CD1 4.32Å; I1619-L1631 HydrophobicContact CD1-CD1 4.41Å; A1627-L1631 WeakPolarHBondContact O-CG 3.43Å; A1627-L1631 PolarHBondContact O-N 3.24Å; W1628-L1631 PolarHBondContact O-N 2.84Å; L1631-T1634 PolarHBondContact O-N 3.05Å; L1631-T1634 VanDerWaalsContact O-N 3.12Å; L1631-Y1635 HydrophobicContact CD2-CD2 4.44Å; L1631-Y1635 HydrophobicContact CD2-CE2 4.14Å; L1631-Y1635 PolarHBondContact O-N 3.43Å |
| 1632 | K | 93.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 172.7 | -79.9 | -87.2 | -179.2 | 171.1 | 0 | 111.4 | W1410 H1603 W1628 W1629 T1634 Q1636 G1637 | W1410-K1632 PolarHBondContact O-NZ 3.14Å; W1410-K1632 VanDerWaalsContact O-NZ 3.1Å; H1603-K1632 PolarHBondContact ND1-NZ 2.76Å; H1603-K1632 VanDerWaalsContact ND1-NZ 3.16Å; W1628-K1632 HydrophobicContact CD2-CG 4.28Å; W1628-K1632 HydrophobicContact CZ2-CD 4.33Å; W1628-K1632 HydrophobicContact CZ2-CG 4.25Å; W1628-K1632 WeakPolarHBondContact O-CB 3.37Å; W1628-K1632 WeakPolarHBondContact O-CG 3.41Å; W1628-K1632 PolarHBondContact O-N 3.24Å; W1629-K1632 HydrophobicContact CE3-CB 3.87Å; W1629-K1632 HydrophobicContact CE3-CG 4.35Å; W1629-K1632 HydrophobicContact CZ3-CB 4.15Å; W1629-K1632 HydrophobicContact CZ3-CG 4.4Å; K1632-T1634 VanDerWaalsContact C-N 3.27Å; K1632-T1634 PolarHBondContact O-N 3.49Å; K1632-Q1636 VanDerWaalsContact CD-OE1 3.26Å; K1632-Q1636 WeakPolarHBondContact O-CA 3.26Å; K1632-Q1636 VanDerWaalsContact O-CB 3.26Å; K1632-Q1636 WeakPolarHBondContact O-CB 3.46Å; K1632-Q1636 PolarHBondContact O-N 2.88Å; K1632-G1637 PolarHBondContact O-N 3.37Å |
| 1633 | K | 90.3 | Very high | 90.2 | Very high | 70 Ų | 70 | 32.3 Ų | 32.3 | 30% | 0.304 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 171 | -173.6 | 177.9 | -179.2 | -175.1 | 0 | 109.4 | T1400 W1629 K1630 G1637 W1759 E1760 | T1400-K1633 HydrophobicContact CG2-CG 4.14Å; W1629-K1633 VanDerWaalsContact O-CB 3.28Å; W1629-K1633 WeakPolarHBondContact O-CB 3.46Å; W1629-K1633 PolarHBondContact O-N 2.82Å; K1630-K1633 PolarHBondContact O-N 3.22Å; K1633-G1637 WeakPolarHBondContact O-CA 3.27Å; K1633-G1637 PolarHBondContact O-N 2.92Å; K1633-G1637 VanDerWaalsContact O-N 3.11Å; K1633-W1759 VanDerWaalsContact O-CD1 3.31Å; K1633-W1759 PolarHBondContact O-NE1 2.7Å; K1633-E1760 IonicContact NZ-OE2 2.84Å; K1633-E1760 PolarHBondContact NZ-OE2 3.16Å |
| 1634 | T | 90.4 | Very high | 89.3 | Confident | 33 Ų | 33 | 30.3 Ų | 30.3 | 20% | 0.202 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -53.3 | -175.5 | -62.7 | 0 | 0 | 0 | 0 | 115 | K1630 L1631 K1632 W1759 I1761 W1763 | K1630-T1634 WeakPolarHBondContact O-CB 3.47Å; K1630-T1634 PolarHBondContact O-N 3.06Å; K1630-T1634 PolarHBondContact O-OG1 3.05Å; L1631-T1634 PolarHBondContact O-N 3.05Å; L1631-T1634 VanDerWaalsContact O-N 3.12Å; K1632-T1634 VanDerWaalsContact C-N 3.27Å; K1632-T1634 PolarHBondContact O-N 3.49Å; T1634-W1759 VanDerWaalsContact O-CZ2 3.22Å; T1634-W1759 WeakPolarHBondContact O-CZ2 3.05Å; T1634-W1759 PolarHBondContact O-NE1 2.68Å; T1634-W1759 VanDerWaalsContact O-NE1 3.16Å; T1634-I1761 HydrophobicContact CG2-CD1 3.94Å; T1634-I1761 WeakPolarHBondContact OG1-CD1 3.21Å; T1634-W1763 HydrophobicContact CG2-CH2 4.14Å; T1634-W1763 HydrophobicContact CG2-CZ2 4.17Å; T1634-W1763 WeakPolarHBondContact O-CZ2 3.21Å |
| 1635 | Y | 93.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -98.7 | -19.1 | -171.3 | -74.3 | -96.7 | 0 | 0 | 0 | 113.3 | E1367 W1370 Y1605 V1606 L1609 L1631 W1763 | E1367-Y1635 PolarHBondContact OE2-OH 3.12Å; W1370-Y1635 AromaticContact CD1-CD1 3.52Å; W1370-Y1635 AromaticContact CD1-CE1 3.67Å; W1370-Y1635 HydrophobicContact CG-CD1 4.25Å; W1370-Y1635 HydrophobicContact CG-CE1 4.48Å; W1370-Y1635 WeakPolarHBondContact CZ2-O 3.28Å; W1370-Y1635 AromaticContact NE1-CD1 3.39Å; W1370-Y1635 AromaticContact NE1-CE1 3.97Å; Y1605-Y1635 HydrophobicContact CD1-CD1 4.07Å; Y1605-Y1635 HydrophobicContact CD1-CE1 4.03Å; Y1605-Y1635 AromaticContact CE1-CD1 4Å; Y1605-Y1635 HydrophobicContact CE1-CD1 4Å; Y1605-Y1635 AromaticContact CE1-CE1 3.47Å; Y1605-Y1635 HydrophobicContact CE1-CE1 3.47Å; Y1605-Y1635 VanDerWaalsContact CE1-CE1 3.47Å; V1606-Y1635 HydrophobicContact CG2-CD1 4.41Å; V1606-Y1635 HydrophobicContact CG2-CD2 3.85Å; V1606-Y1635 HydrophobicContact CG2-CG 3.63Å; L1609-Y1635 HydrophobicContact CD2-CE2 3.73Å; L1631-Y1635 HydrophobicContact CD2-CD2 4.44Å; L1631-Y1635 HydrophobicContact CD2-CE2 4.14Å; L1631-Y1635 PolarHBondContact O-N 3.43Å; Y1635-W1763 AromaticContact CD1-CH2 3.63Å; Y1635-W1763 HydrophobicContact CD1-CH2 3.63Å; Y1635-W1763 HydrophobicContact CD1-CZ2 4.33Å; Y1635-W1763 HydrophobicContact CD2-CH2 4.46Å; Y1635-W1763 AromaticContact CE1-CH2 3.54Å; Y1635-W1763 HydrophobicContact CE1-CH2 3.54Å; Y1635-W1763 HydrophobicContact CE1-CZ3 4.14Å; Y1635-W1763 HydrophobicContact CE2-CH2 4.42Å; Y1635-W1763 HydrophobicContact CG-CH2 4.08Å; Y1635-W1763 AromaticContact CZ-CH2 3.98Å |
| 1636 | Q | 93.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -117.2 | -17.4 | -176 | -66.3 | 161.5 | 55.5 | 0 | 0 | 113.4 | Y1377 H1381 P1602 K1632 I1638 | Y1377-Q1636 WeakPolarHBondContact CE1-O 3.49Å; Y1377-Q1636 VanDerWaalsContact OH-CA 3.3Å; Y1377-Q1636 WeakPolarHBondContact OH-CA 3.42Å; Y1377-Q1636 PolarHBondContact OH-O 3.35Å; H1381-Q1636 PolarHBondContact CD2-O 3.31Å; P1602-Q1636 HydrophobicContact CB-CG 3.69Å; P1602-Q1636 HydrophobicContact CG-CG 3.82Å; P1602-Q1636 PolarHBondContact O-NE2 3.2Å; K1632-Q1636 VanDerWaalsContact CD-OE1 3.26Å; K1632-Q1636 WeakPolarHBondContact O-CA 3.26Å; K1632-Q1636 VanDerWaalsContact O-CB 3.26Å; K1632-Q1636 WeakPolarHBondContact O-CB 3.46Å; K1632-Q1636 PolarHBondContact O-N 2.88Å; Q1636-I1638 HydrophobicContact CB-CB 4.3Å; Q1636-I1638 HydrophobicContact CB-CD1 3.75Å; Q1636-I1638 HydrophobicContact CB-CG1 3.89Å; Q1636-I1638 PolarHBondContact O-N 3.13Å |
| 1637 | G | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 64.6 | 29.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | H1381 T1400 I1401 K1632 K1633 W1759 | H1381-G1637 PolarHBondContact NE2-O 2.89Å; T1400-G1637 CarbonylContact C-O 3.6Å; T1400-G1637 VanDerWaalsContact CA-O 3.26Å; T1400-G1637 WeakPolarHBondContact CA-O 3.34Å; T1400-G1637 WeakPolarHBondContact CB-O 3.49Å; I1401-G1637 PolarHBondContact N-O 3.24Å; K1632-G1637 PolarHBondContact O-N 3.37Å; K1633-G1637 WeakPolarHBondContact O-CA 3.27Å; K1633-G1637 PolarHBondContact O-N 2.92Å; K1633-G1637 VanDerWaalsContact O-N 3.11Å; G1637-W1759 VanDerWaalsContact CA-CE2 3.48Å; G1637-W1759 VanDerWaalsContact CA-CE3 3.41Å | ||
| 1638 | I | 91.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.2 | -177.7 | -61.2 | 172.4 | 0 | 0 | 0 | 109 | I1401 A1403 L1406 A1411 W1414 W1629 Q1636 | I1401-I1638 VanDerWaalsContact O-CA 3.28Å; I1401-I1638 WeakPolarHBondContact O-CA 3.19Å; I1401-I1638 WeakPolarHBondContact O-CG2 3.29Å; A1403-I1638 HydrophobicContact CB-CG2 3.61Å; L1406-I1638 HydrophobicContact CD1-CD1 3.85Å; L1406-I1638 HydrophobicContact CD1-CG1 4.2Å; A1411-I1638 HydrophobicContact CB-CD1 3.87Å; A1411-I1638 HydrophobicContact CB-CG2 4.27Å; W1414-I1638 HydrophobicContact CZ2-CD1 4.16Å; W1629-I1638 HydrophobicContact CZ3-CG2 4.36Å; Q1636-I1638 HydrophobicContact CB-CB 4.3Å; Q1636-I1638 HydrophobicContact CB-CD1 3.75Å; Q1636-I1638 HydrophobicContact CB-CG1 3.89Å; Q1636-I1638 PolarHBondContact O-N 3.13Å |
| 1639 | A | 88.3 | Confident | 86.1 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 152.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1400 I1401 P1402 A1403 | T1400-A1639 WeakPolarHBondContact OG1-CB 3.41Å; I1401-A1639 PolarHBondContact O-N 3.46Å; P1402-A1639 CarbonylContact C-O 3.6Å; P1402-A1639 WeakPolarHBondContact CA-O 3.5Å; A1403-A1639 PolarHBondContact N-O 2.87Å |
| 1640 | P | 89.1 | Confident | 86.1 | Confident | 23 Ų | 23 | 45 Ų | 45 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | trans | -72 | 149.4 | 168.9 | 28.3 | -25.2 | 0 | 0 | 0 | 110.3 | W1315 W1629 V1642 P1644 | W1315-P1640 HydrophobicContact CH2-CB 3.76Å; W1315-P1640 HydrophobicContact CZ3-CB 4.33Å; W1629-P1640 HydrophobicContact CD2-CB 3.92Å; W1629-P1640 HydrophobicContact CD2-CG 3.62Å; W1629-P1640 HydrophobicContact CE3-CB 4.16Å; W1629-P1640 HydrophobicContact CE3-CG 3.91Å; W1629-P1640 HydrophobicContact CG-CG 3.97Å; W1629-P1640 HydrophobicContact CH2-CB 3.92Å; W1629-P1640 HydrophobicContact CZ2-CB 3.69Å; W1629-P1640 HydrophobicContact CZ2-CG 4.35Å; W1629-P1640 HydrophobicContact CZ3-CB 4.14Å; W1629-P1640 HydrophobicContact CZ3-CG 4.34Å; P1640-V1642 VanDerWaalsContact C-N 3.32Å; P1640-V1642 WeakPolarHBondContact CB-O 3.49Å; P1640-V1642 VanDerWaalsContact CG-O 3.31Å; P1640-V1642 WeakPolarHBondContact CG-O 3.44Å; P1640-P1644 HydrophobicContact CG-CG 3.82Å | ||
| 1641 | P | 84.5 | Confident | 86.2 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -57.4 | -45.9 | 171.2 | 16.7 | -26.3 | 0 | 0 | 0 | 112.2 | E1312 W1315 H1404 | E1312-P1641 HydrophobicContact CB-CB 4.45Å; E1312-P1641 HydrophobicContact CG-CB 3.75Å; E1312-P1641 HydrophobicContact CG-CG 4.14Å; W1315-P1641 HydrophobicContact CD2-CG 3.96Å; W1315-P1641 HydrophobicContact CE3-CG 3.39Å; W1315-P1641 HydrophobicContact CH2-CG 4.39Å; W1315-P1641 VanDerWaalsContact CZ3-CD 3.47Å; W1315-P1641 HydrophobicContact CZ3-CG 3.66Å; H1404-P1641 HydrophobicContact CB-CG 4.3Å; H1404-P1641 WeakPolarHBondContact ND1-CB 3.08Å |
| 1642 | V | 83.1 | Confident | 86.1 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -99.1 | 147.2 | 179.5 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | E1312 T1316 P1640 | E1312-V1642 VanDerWaalsContact OE1-CG1 3.27Å; E1312-V1642 WeakPolarHBondContact OE1-CG1 3.41Å; T1316-V1642 HydrophobicContact CG2-CG1 4.42Å; T1316-V1642 HydrophobicContact CG2-CG2 3.94Å; P1640-V1642 VanDerWaalsContact C-N 3.32Å; P1640-V1642 WeakPolarHBondContact CB-O 3.49Å; P1640-V1642 VanDerWaalsContact CG-O 3.31Å; P1640-V1642 WeakPolarHBondContact CG-O 3.44Å |
| 1643 | A | 76.4 | Confident | 86.1 | Confident | 87 Ų | 87 | 36.9 Ų | 36.9 | 72% | 0.719 | 20% | 0.203 | S | C | * | . | P | Polyproline II helix | trans | -57 | 132.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1645 | A1643-S1645 PolarHBondContact O-N 3.06Š|
| 1644 | P | 72.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 33.7 Ų | 33.7 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 126.2 | 176.2 | -21.7 | 30.3 | 0 | 0 | 0 | 111 | W1629 P1640 | W1629-P1644 HydrophobicContact CB-CG 4.04Å; W1629-P1644 HydrophobicContact CG-CG 3.98Å; P1640-P1644 HydrophobicContact CG-CG 3.82Å |
| 1645 | S | 74.5 | Confident | 86 | Confident | 45 Ų | 45 | 35.6 Ų | 35.6 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -97.9 | 150.1 | 169.1 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | N1625 A1643 E1647 N1648 | N1625-S1645 PolarHBondContact ND2-O 2.97Å; A1643-S1645 PolarHBondContact O-N 3.06Å; S1645-E1647 PolarHBondContact O-N 3.1Å; S1645-E1647 PolarHBondContact OG-N 3.15Å; S1645-E1647 VanDerWaalsContact OG-N 3.17Å; S1645-N1648 PolarHBondContact O-N 3.06Å |
| 1646 | Y | 73.2 | Confident | 85.9 | Confident | 166 Ų | 166 | 34.9 Ų | 34.9 | 65% | 0.651 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.7 | 171.2 | -69.4 | -80.2 | 0 | 0 | 0 | 113 | N1622 N1626 N1648 | N1622-Y1646 WeakPolarHBondContact O-CD1 3.29Å; N1626-Y1646 WeakPolarHBondContact ND2-CE1 3.36Å; N1626-Y1646 PolarHBondContact ND2-OH 3.36Å; Y1646-N1648 VanDerWaalsContact C-N 3.34Å |
| 1647 | E | 72 | Confident | 85.9 | Confident | 148 Ų | 148 | 34.9 Ų | 34.9 | 69% | 0.692 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16 | 178.7 | -62.8 | -175 | 170.7 | 0 | 0 | 113.3 | S1645 | S1645-E1647 PolarHBondContact O-N 3.1Å; S1645-E1647 PolarHBondContact OG-N 3.15Å; S1645-E1647 VanDerWaalsContact OG-N 3.17Å |
| 1648 | N | 83.2 | Confident | 85.9 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | trans | -91.8 | 153.8 | -177.9 | -69.1 | -12 | 0 | 0 | 0 | 110.9 | N1625 S1645 Y1646 | N1625-N1648 VanDerWaalsContact CB-O 3.23Å; N1625-N1648 WeakPolarHBondContact CB-O 3.49Å; S1645-N1648 PolarHBondContact O-N 3.06Å; Y1646-N1648 VanDerWaalsContact C-N 3.34Å | ||
| 1649 | F | 92 | Very high | 85.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -134.7 | 74.6 | 173.4 | 179.3 | -130.9 | 0 | 0 | 0 | 109.4 | G1323 V1326 L1327 F1330 L1624 A1651 G1652 V1657 | G1323-F1649 WeakPolarHBondContact CA-O 3.31Å; V1326-F1649 HydrophobicContact CG1-CD1 4.3Å; V1326-F1649 HydrophobicContact CG1-CE1 3.96Å; L1327-F1649 HydrophobicContact CB-CB 3.88Å; L1327-F1649 HydrophobicContact CB-CD1 3.85Å; L1327-F1649 HydrophobicContact CB-CG 4.1Å; L1327-F1649 HydrophobicContact CD1-CB 3.95Å; L1327-F1649 HydrophobicContact CD1-CD1 3.98Å; L1327-F1649 HydrophobicContact CD1-CD2 4.08Å; L1327-F1649 HydrophobicContact CD1-CG 3.74Å; L1327-F1649 HydrophobicContact CD2-CB 4.26Å; L1327-F1649 HydrophobicContact CG-CB 4.24Å; L1327-F1649 HydrophobicContact CG-CG 4.43Å; F1330-F1649 HydrophobicContact CB-CE1 3.74Å; F1330-F1649 HydrophobicContact CB-CZ 4.15Å; F1330-F1649 AromaticContact CD1-CE1 3.83Å; F1330-F1649 HydrophobicContact CD1-CE1 3.83Å; F1330-F1649 HydrophobicContact CD1-CE2 4.07Å; F1330-F1649 AromaticContact CD1-CZ 3.33Å; F1330-F1649 HydrophobicContact CD1-CZ 3.33Å; F1330-F1649 HydrophobicContact CD2-CE1 4.18Å; F1330-F1649 AromaticContact CD2-CZ 3.95Å; F1330-F1649 HydrophobicContact CD2-CZ 3.95Å; F1330-F1649 HydrophobicContact CE1-CE1 4.5Å; F1330-F1649 HydrophobicContact CE1-CE2 4.11Å; F1330-F1649 AromaticContact CE1-CZ 3.6Å; F1330-F1649 HydrophobicContact CE1-CZ 3.6Å; F1330-F1649 HydrophobicContact CE2-CZ 4.18Å; F1330-F1649 AromaticContact CG-CE1 3.64Å; F1330-F1649 HydrophobicContact CG-CE1 3.64Å; F1330-F1649 AromaticContact CG-CZ 3.53Å; F1330-F1649 HydrophobicContact CG-CZ 3.53Å; F1330-F1649 HydrophobicContact CZ-CZ 4.01Å; L1624-F1649 HydrophobicContact CB-CD2 4.18Å; L1624-F1649 HydrophobicContact CB-CE2 4.29Å; L1624-F1649 HydrophobicContact CD1-CD2 4.34Å; L1624-F1649 HydrophobicContact CD1-CE2 4.22Å; F1649-A1651 VanDerWaalsContact C-N 3.3Å; F1649-A1651 HydrophobicContact CD2-CB 4.43Å; F1649-A1651 HydrophobicContact CE2-CB 3.93Å; F1649-A1651 HydrophobicContact CZ-CB 4.37Å; F1649-A1651 PolarHBondContact O-N 2.93Å; F1649-G1652 VanDerWaalsContact CD1-CA 3.45Å; F1649-G1652 WeakPolarHBondContact O-CA 3.42Å; F1649-G1652 PolarHBondContact O-N 3.32Å; F1649-V1657 HydrophobicContact CZ-CG1 4.43Å | ||
| 1650 | D | 92 | Very high | 85.8 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -66.6 | -33.8 | -170.1 | -65.5 | -12.8 | 0 | 0 | 0 | 112.2 | R1319 N1625 W1629 G1652 S1653 | R1319-D1650 HydrophobicContact CG-CB 4.07Å; N1625-D1650 WeakPolarHBondContact OD1-CB 3.45Å; N1625-D1650 PolarHBondContact OD1-N 3.05Å; W1629-D1650 PolarHBondContact NE1-OD2 2.84Å; D1650-G1652 PolarHBondContact O-N 3.49Å; D1650-S1653 WeakPolarHBondContact O-CB 3.33Å; D1650-S1653 PolarHBondContact O-N 3.5Å; D1650-S1653 PolarHBondContact O-OG 3.25Å |
| 1651 | A | 92.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -58.7 | -30 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1610 W1628 F1649 S1653 E1654 V1657 | Y1610-A1651 HydrophobicContact CD1-CB 4.43Å; Y1610-A1651 HydrophobicContact CE1-CB 3.6Å; W1628-A1651 HydrophobicContact CB-CB 4.43Å; W1628-A1651 HydrophobicContact CD2-CB 3.77Å; W1628-A1651 HydrophobicContact CE3-CB 3.9Å; W1628-A1651 HydrophobicContact CG-CB 4.02Å; W1628-A1651 HydrophobicContact CZ3-CB 4.37Å; F1649-A1651 VanDerWaalsContact C-N 3.3Å; F1649-A1651 HydrophobicContact CD2-CB 4.43Å; F1649-A1651 HydrophobicContact CE2-CB 3.93Å; F1649-A1651 HydrophobicContact CZ-CB 4.37Å; F1649-A1651 PolarHBondContact O-N 2.93Å; A1651-S1653 PolarHBondContact O-N 2.8Å; A1651-S1653 VanDerWaalsContact O-N 3.16Å; A1651-E1654 VanDerWaalsContact O-CB 3.28Å; A1651-E1654 WeakPolarHBondContact O-CB 3.46Å; A1651-E1654 WeakPolarHBondContact O-CG 3.43Å; A1651-E1654 PolarHBondContact O-N 2.59Å; A1651-E1654 VanDerWaalsContact O-N 3.11Å; A1651-V1657 VanDerWaalsContact O-CB 3.29Å; A1651-V1657 WeakPolarHBondContact O-CB 3.39Å; A1651-V1657 WeakPolarHBondContact O-CG1 3.35Å; A1651-V1657 WeakPolarHBondContact O-CG2 3.37Å |
| 1652 | G | 92.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -68.4 | -5.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1322 F1649 D1650 V1658 | V1322-G1652 WeakPolarHBondContact CG1-O 3.4Å; F1649-G1652 VanDerWaalsContact CD1-CA 3.45Å; F1649-G1652 WeakPolarHBondContact O-CA 3.42Å; F1649-G1652 PolarHBondContact O-N 3.32Å; D1650-G1652 PolarHBondContact O-N 3.49Å; G1652-V1658 WeakPolarHBondContact O-CG2 3.49Å |
| 1653 | S | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -95.8 | -3.2 | 172.2 | 76.8 | 0 | 0 | 0 | 0 | 113.7 | Y1269 W1318 R1319 D1650 A1651 | Y1269-S1653 WeakPolarHBondContact CE2-O 3.36Å; W1318-S1653 PolarHBondContact NE1-O 3.11Å; R1319-S1653 WeakPolarHBondContact CG-OG 3.35Å; D1650-S1653 WeakPolarHBondContact O-CB 3.33Å; D1650-S1653 PolarHBondContact O-N 3.5Å; D1650-S1653 PolarHBondContact O-OG 3.25Å; A1651-S1653 PolarHBondContact O-N 2.8Å; A1651-S1653 VanDerWaalsContact O-N 3.16Å |
| 1654 | E | 92 | Very high | 87.5 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -80.1 | 131 | 176.3 | -64.4 | -72.6 | 160.6 | 0 | 0 | 110 | R1319 H1603 W1628 A1651 S1656 V1657 V1658 | R1319-E1654 IonicContact NH2-OE1 3.38Å; H1603-E1654 IonicContact CE1-OE2 3.11Å; H1603-E1654 PolarHBondContact CE1-OE2 2.87Å; H1603-E1654 IonicContact NE2-OE2 3.72Å; W1628-E1654 HydrophobicContact CH2-CG 4.13Å; W1628-E1654 HydrophobicContact CZ2-CG 3.89Å; A1651-E1654 VanDerWaalsContact O-CB 3.28Å; A1651-E1654 WeakPolarHBondContact O-CB 3.46Å; A1651-E1654 WeakPolarHBondContact O-CG 3.43Å; A1651-E1654 PolarHBondContact O-N 2.59Å; A1651-E1654 VanDerWaalsContact O-N 3.11Å; E1654-S1656 VanDerWaalsContact C-N 3.29Å; E1654-S1656 PolarHBondContact O-N 2.97Å; E1654-V1657 HydrophobicContact CB-CB 4.06Å; E1654-V1657 HydrophobicContact CB-CG2 3.73Å; E1654-V1657 HydrophobicContact CG-CG2 4.39Å; E1654-V1657 PolarHBondContact O-N 3.33Å; E1654-V1658 WeakPolarHBondContact O-CG2 3.37Å; E1654-V1658 PolarHBondContact O-N 3.49Å |
| 1655 | Y | 88.3 | Confident | 88.5 | Confident | 73 Ų | 73 | 32.9 Ų | 32.9 | 29% | 0.286 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -56.6 | -44.2 | -178.5 | -179.1 | -91.5 | 0 | 0 | 0 | 112 | Y1269 Q1484 V1657 V1658 H1659 I1661 | Y1269-Y1655 AromaticContact CE1-CD2 3.89Å; Y1269-Y1655 HydrophobicContact CE1-CD2 3.89Å; Q1484-Y1655 PolarHBondContact NE2-OH 3.48Å; Q1484-Y1655 PolarHBondContact OE1-OH 3.1Å; Y1655-V1657 PolarHBondContact O-N 2.92Å; Y1655-V1658 PolarHBondContact O-N 2.81Å; Y1655-H1659 AromaticContact CD1-ND1 3.95Å; Y1655-H1659 AromaticContact CD2-CE1 3.34Å; Y1655-H1659 WeakPolarHBondContact CD2-CE1 3.38Å; Y1655-H1659 AromaticContact CD2-ND1 3.42Å; Y1655-H1659 WeakPolarHBondContact CD2-ND1 3.29Å; Y1655-H1659 HydrophobicContact CE1-CB 4.4Å; Y1655-H1659 AromaticContact CE1-ND1 3.94Å; Y1655-H1659 AromaticContact CE2-CE1 3.15Å; Y1655-H1659 WeakPolarHBondContact CE2-CE1 3.34Å; Y1655-H1659 AromaticContact CE2-ND1 3.4Å; Y1655-H1659 WeakPolarHBondContact CE2-ND1 3.43Å; Y1655-H1659 AromaticContact CE2-NE2 3.64Å; Y1655-H1659 AromaticContact CG-ND1 3.7Å; Y1655-H1659 AromaticContact CZ-CE1 3.77Å; Y1655-H1659 AromaticContact CZ-CG 3.87Å; Y1655-H1659 AromaticContact CZ-ND1 3.67Å; Y1655-H1659 WeakPolarHBondContact O-CB 3.03Å; Y1655-H1659 PolarHBondContact O-N 3.39Å; Y1655-H1659 PolarHBondContact O-ND1 3.48Å; Y1655-I1661 HydrophobicContact CD1-CD1 4.1Å; Y1655-I1661 HydrophobicContact CE1-CD1 3.57Å |
| 1656 | S | 90.3 | Very high | 89.4 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -33.2 | -178.5 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | E1654 N1660 I1661 Q1663 | E1654-S1656 VanDerWaalsContact C-N 3.29Å; E1654-S1656 PolarHBondContact O-N 2.97Å; S1656-N1660 CarbonylContact O-C 3.6Å; S1656-N1660 WeakPolarHBondContact O-CA 3.47Å; S1656-N1660 PolarHBondContact O-N 2.97Å; S1656-N1660 VanDerWaalsContact O-N 3.12Å; S1656-I1661 PolarHBondContact O-N 3.32Å; S1656-Q1663 VanDerWaalsContact CB-CD 3.4Å; S1656-Q1663 VanDerWaalsContact CB-CG 3.5Å; S1656-Q1663 VanDerWaalsContact CB-OE1 3.3Å |
| 1657 | V | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.2 | -45.1 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | F1330 T1607 F1649 A1651 E1654 Y1655 N1660 | F1330-V1657 HydrophobicContact CD2-CG1 4.16Å; F1330-V1657 HydrophobicContact CE2-CG1 3.74Å; F1330-V1657 HydrophobicContact CZ-CG1 4.46Å; T1607-V1657 HydrophobicContact CG2-CG2 4.01Å; F1649-V1657 HydrophobicContact CZ-CG1 4.43Å; A1651-V1657 VanDerWaalsContact O-CB 3.29Å; A1651-V1657 WeakPolarHBondContact O-CB 3.39Å; A1651-V1657 WeakPolarHBondContact O-CG1 3.35Å; A1651-V1657 WeakPolarHBondContact O-CG2 3.37Å; E1654-V1657 HydrophobicContact CB-CB 4.06Å; E1654-V1657 HydrophobicContact CB-CG2 3.73Å; E1654-V1657 HydrophobicContact CG-CG2 4.39Å; E1654-V1657 PolarHBondContact O-N 3.33Å; Y1655-V1657 PolarHBondContact O-N 2.92Å; V1657-N1660 PolarHBondContact O-N 3.11Å |
| 1658 | V | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | -179.7 | 170.1 | 0 | 0 | 0 | 0 | 112.6 | L1262 M1265 Y1269 V1326 G1652 E1654 Y1655 N1660 | L1262-V1658 VanDerWaalsContact CD1-O 3.31Å; L1262-V1658 WeakPolarHBondContact CD1-O 3.15Å; M1265-V1658 HydrophobicContact CB-CG1 4.22Å; M1265-V1658 WeakPolarHBondContact O-CG1 3.35Å; Y1269-V1658 HydrophobicContact CD2-CB 4.12Å; Y1269-V1658 HydrophobicContact CD2-CG1 4.07Å; Y1269-V1658 HydrophobicContact CD2-CG2 3.72Å; Y1269-V1658 HydrophobicContact CE2-CG2 4.3Å; Y1269-V1658 HydrophobicContact CG-CB 4.46Å; Y1269-V1658 HydrophobicContact CG-CG1 3.93Å; Y1269-V1658 HydrophobicContact CG-CG2 4.41Å; V1326-V1658 HydrophobicContact CG1-CG2 4.23Å; V1326-V1658 HydrophobicContact CG2-CG2 4.25Å; G1652-V1658 WeakPolarHBondContact O-CG2 3.49Å; E1654-V1658 WeakPolarHBondContact O-CG2 3.37Å; E1654-V1658 PolarHBondContact O-N 3.49Å; Y1655-V1658 PolarHBondContact O-N 2.81Å; V1658-N1660 VanDerWaalsContact C-N 3.29Å |
| 1659 | H | 87.5 | Confident | 92.1 | Very high | 38 Ų | 38 | 19.1 Ų | 19.1 | 18% | 0.176 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.7 | -178.3 | -61.4 | 81.9 | 0 | 0 | 0 | 112.7 | Y1269 Y1655 I1661 | Y1269-H1659 AromaticContact CD1-CE1 3.96Å; Y1655-H1659 AromaticContact CD1-ND1 3.95Å; Y1655-H1659 AromaticContact CD2-CE1 3.34Å; Y1655-H1659 WeakPolarHBondContact CD2-CE1 3.38Å; Y1655-H1659 AromaticContact CD2-ND1 3.42Å; Y1655-H1659 WeakPolarHBondContact CD2-ND1 3.29Å; Y1655-H1659 HydrophobicContact CE1-CB 4.4Å; Y1655-H1659 AromaticContact CE1-ND1 3.94Å; Y1655-H1659 AromaticContact CE2-CE1 3.15Å; Y1655-H1659 WeakPolarHBondContact CE2-CE1 3.34Å; Y1655-H1659 AromaticContact CE2-ND1 3.4Å; Y1655-H1659 WeakPolarHBondContact CE2-ND1 3.43Å; Y1655-H1659 AromaticContact CE2-NE2 3.64Å; Y1655-H1659 AromaticContact CG-ND1 3.7Å; Y1655-H1659 AromaticContact CZ-CE1 3.77Å; Y1655-H1659 AromaticContact CZ-CG 3.87Å; Y1655-H1659 AromaticContact CZ-ND1 3.67Å; Y1655-H1659 WeakPolarHBondContact O-CB 3.03Å; Y1655-H1659 PolarHBondContact O-N 3.39Å; Y1655-H1659 PolarHBondContact O-ND1 3.48Å; H1659-I1661 VanDerWaalsContact C-N 3.3Å; H1659-I1661 HydrophobicContact CB-CD1 3.89Å; H1659-I1661 HydrophobicContact CB-CG1 3.98Å; H1659-I1661 PolarHBondContact O-N 3.4Å |
| 1660 | N | 91.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 37.1 | -179.1 | -160.3 | 38.4 | 0 | 0 | 0 | 115.2 | L1262 W1353 R1611 S1656 V1657 V1658 | L1262-N1660 HydrophobicContact CD1-CB 3.89Å; W1353-N1660 WeakPolarHBondContact CH2-OD1 3.41Å; W1353-N1660 WeakPolarHBondContact CZ2-OD1 3.43Å; R1611-N1660 PolarHBondContact NH2-O 3.14Å; R1611-N1660 PolarHBondContact NH2-OD1 3.41Å; S1656-N1660 CarbonylContact O-C 3.6Å; S1656-N1660 WeakPolarHBondContact O-CA 3.47Å; S1656-N1660 PolarHBondContact O-N 2.97Å; S1656-N1660 VanDerWaalsContact O-N 3.12Å; V1657-N1660 PolarHBondContact O-N 3.11Å; V1658-N1660 VanDerWaalsContact C-N 3.29Å |
| 1661 | I | 89.5 | Confident | 92.5 | Very high | 48 Ų | 48 | 19.7 Ų | 19.7 | 25% | 0.246 | 9% | 0.09 | C | C | . | . | trans | -89.4 | 122.6 | -177.7 | -59.4 | 170.7 | 0 | 0 | 0 | 110.2 | R1611 Y1655 S1656 H1659 Q1663 | R1611-I1661 PolarHBondContact NH1-O 3.28Å; Y1655-I1661 HydrophobicContact CD1-CD1 4.1Å; Y1655-I1661 HydrophobicContact CE1-CD1 3.57Å; S1656-I1661 PolarHBondContact O-N 3.32Å; H1659-I1661 VanDerWaalsContact C-N 3.3Å; H1659-I1661 HydrophobicContact CB-CD1 3.89Å; H1659-I1661 HydrophobicContact CB-CG1 3.98Å; H1659-I1661 PolarHBondContact O-N 3.4Å; I1661-Q1663 PolarHBondContact O-N 3.07Å | ||
| 1662 | P | 91.5 | Very high | 92.6 | Very high | 33 Ų | 33 | 19.7 Ų | 19.7 | 21% | 0.214 | 9% | 0.09 | C | C | . | . | trans | -63.9 | 123.5 | 174 | -20.9 | 33.4 | 0 | 0 | 0 | 111.4 | W1353 D1608 Q1665 | W1353-P1662 HydrophobicContact CD2-CB 4.27Å; W1353-P1662 HydrophobicContact CD2-CG 3.79Å; W1353-P1662 HydrophobicContact CE3-CB 4.23Å; W1353-P1662 HydrophobicContact CE3-CG 4.16Å; W1353-P1662 HydrophobicContact CG-CG 4.2Å; W1353-P1662 HydrophobicContact CZ2-CG 4.14Å; D1608-P1662 WeakPolarHBondContact OD2-CA 3.3Å; P1662-Q1665 WeakPolarHBondContact O-CG 3.32Å | ||
| 1663 | Q | 93 | Very high | 92.8 | Very high | 23 Ų | 23 | 20.1 Ų | 20.1 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -89.1 | -16.4 | 179.8 | -67.8 | -64.5 | 103.7 | 0 | 0 | 113.7 | A1604 T1607 D1608 S1656 I1661 Q1665 R1666 F1667 | A1604-Q1663 HydrophobicContact CB-CB 4.31Å; A1604-Q1663 WeakPolarHBondContact O-CB 3.26Å; T1607-Q1663 HydrophobicContact CG2-CB 4.45Å; T1607-Q1663 HydrophobicContact CG2-CG 3.9Å; D1608-Q1663 PolarHBondContact OD1-N 2.9Å; D1608-Q1663 VanDerWaalsContact OD1-N 3.12Å; D1608-Q1663 PolarHBondContact OD2-N 3.31Å; S1656-Q1663 VanDerWaalsContact CB-CD 3.4Å; S1656-Q1663 VanDerWaalsContact CB-CG 3.5Å; S1656-Q1663 VanDerWaalsContact CB-OE1 3.3Å; I1661-Q1663 PolarHBondContact O-N 3.07Å; Q1663-Q1665 PolarHBondContact O-N 3.13Å; Q1663-Q1665 VanDerWaalsContact O-N 3.14Å; Q1663-R1666 WeakPolarHBondContact O-CB 3.4Å; Q1663-R1666 PolarHBondContact O-N 2.86Å; Q1663-F1667 PolarHBondContact O-N 3.1Å |
| 1664 | I | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.5 | -27.9 | -178.9 | -164.1 | 71.6 | 0 | 0 | 0 | 112.4 | Y1357 Y1605 D1608 W1612 R1666 F1667 F1668 | Y1357-I1664 HydrophobicContact CE2-CG2 3.76Å; Y1357-I1664 WeakPolarHBondContact OH-CG2 3.46Å; Y1605-I1664 HydrophobicContact CD2-CD1 3.89Å; D1608-I1664 HydrophobicContact CB-CB 4.2Å; D1608-I1664 WeakPolarHBondContact OD2-CB 3.46Å; D1608-I1664 PolarHBondContact OD2-N 3.1Å; W1612-I1664 HydrophobicContact CH2-CB 4.05Å; W1612-I1664 HydrophobicContact CH2-CD1 3.66Å; W1612-I1664 HydrophobicContact CH2-CG1 3.65Å; W1612-I1664 HydrophobicContact CH2-CG2 4.44Å; W1612-I1664 HydrophobicContact CZ2-CB 3.95Å; W1612-I1664 HydrophobicContact CZ2-CD1 4.42Å; W1612-I1664 HydrophobicContact CZ2-CG1 4.04Å; W1612-I1664 HydrophobicContact CZ2-CG2 3.98Å; W1612-I1664 HydrophobicContact CZ3-CD1 4.37Å; I1664-R1666 PolarHBondContact O-N 3.25Å; I1664-F1667 HydrophobicContact CD1-CB 4.31Å; I1664-F1667 HydrophobicContact CD1-CD1 4.16Å; I1664-F1667 WeakPolarHBondContact O-CB 3.16Å; I1664-F1667 PolarHBondContact O-N 3.36Å; I1664-F1668 HydrophobicContact CD1-CD2 4.4Å; I1664-F1668 HydrophobicContact CD1-CE2 4.05Å; I1664-F1668 HydrophobicContact CG1-CD2 3.81Å; I1664-F1668 HydrophobicContact CG1-CE2 3.66Å; I1664-F1668 WeakPolarHBondContact O-CD2 3.11Å; I1664-F1668 PolarHBondContact O-N 3.49Å; I1664-F1668 VanDerWaalsContact O-N 3.07Å |
| 1665 | Q | 93.5 | Very high | 93.2 | Very high | 51 Ų | 51 | 20.4 Ų | 20.4 | 24% | 0.238 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -33.9 | 174.1 | 71.6 | -173.7 | 2.7 | 0 | 0 | 112.5 | Y1357 P1538 A1539 E1542 P1662 Q1663 G1669 | Y1357-Q1665 WeakPolarHBondContact OH-CA 3.29Å; Y1357-Q1665 WeakPolarHBondContact OH-CB 3.14Å; Y1357-Q1665 PolarHBondContact OH-N 3.21Å; P1538-Q1665 HydrophobicContact CB-CB 4.04Å; A1539-Q1665 HydrophobicContact CB-CB 4.48Å; A1539-Q1665 WeakPolarHBondContact CB-O 3.21Å; E1542-Q1665 HydrophobicContact CG-CG 4.47Å; P1662-Q1665 WeakPolarHBondContact O-CG 3.32Å; Q1663-Q1665 PolarHBondContact O-N 3.13Å; Q1663-Q1665 VanDerWaalsContact O-N 3.14Å; Q1665-G1669 WeakPolarHBondContact O-CA 3.36Å; Q1665-G1669 PolarHBondContact O-N 3.5Å |
| 1666 | R | 93.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 16.9 Ų | 16.9 | 37% | 0.374 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -73.1 | -38.7 | 177.2 | -172.8 | 173.8 | -179.8 | 152.2 | -2.7 | 110.8 | A1604 Q1663 I1664 G1669 Q1670 | A1604-R1666 HydrophobicContact CB-CB 4.14Å; A1604-R1666 HydrophobicContact CB-CG 4.44Å; Q1663-R1666 WeakPolarHBondContact O-CB 3.4Å; Q1663-R1666 PolarHBondContact O-N 2.86Å; I1664-R1666 PolarHBondContact O-N 3.25Å; R1666-G1669 PolarHBondContact O-N 3Å; R1666-Q1670 HydrophobicContact CG-CG 4.09Å; R1666-Q1670 WeakPolarHBondContact O-CB 3.31Å; R1666-Q1670 WeakPolarHBondContact O-CG 3.37Å; R1666-Q1670 PolarHBondContact O-N 3.35Å; R1666-Q1670 PolarHBondContact O-OE1 2.6Å |
| 1667 | F | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.8 | -55.8 | 175.1 | 177.2 | -105 | 0 | 0 | 0 | 111.6 | L1369 W1370 L1601 A1604 Q1663 I1664 G1669 I1671 | L1369-F1667 HydrophobicContact CB-CE1 4.1Å; L1369-F1667 HydrophobicContact CB-CZ 3.99Å; L1369-F1667 HydrophobicContact CD1-CE1 4.3Å; W1370-F1667 HydrophobicContact CB-CZ 4.28Å; L1601-F1667 HydrophobicContact CB-CD2 4.17Å; L1601-F1667 HydrophobicContact CB-CE2 4.37Å; L1601-F1667 HydrophobicContact CD2-CD2 3.99Å; L1601-F1667 HydrophobicContact CD2-CE2 4.45Å; L1601-F1667 WeakPolarHBondContact O-CD2 3.11Å; A1604-F1667 HydrophobicContact CB-CB 4.15Å; Q1663-F1667 PolarHBondContact O-N 3.1Å; I1664-F1667 HydrophobicContact CD1-CB 4.31Å; I1664-F1667 HydrophobicContact CD1-CD1 4.16Å; I1664-F1667 WeakPolarHBondContact O-CB 3.16Å; I1664-F1667 PolarHBondContact O-N 3.36Å; F1667-G1669 VanDerWaalsContact C-N 3.34Å; F1667-G1669 PolarHBondContact O-N 2.94Å; F1667-I1671 HydrophobicContact CD1-CD1 4.24Å; F1667-I1671 HydrophobicContact CD2-CD1 4.25Å; F1667-I1671 HydrophobicContact CE1-CD1 3.81Å; F1667-I1671 HydrophobicContact CE2-CD1 3.84Å; F1667-I1671 HydrophobicContact CG-CD1 4.46Å; F1667-I1671 HydrophobicContact CZ-CD1 3.6Å; F1667-I1671 WeakPolarHBondContact O-CG1 3.38Å; F1667-I1671 PolarHBondContact O-N 3.3Å |
| 1668 | F | 95.2 | Very high | 94 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.8 | -77.9 | -72.5 | 0 | 0 | 0 | 112.1 | Y1357 L1362 M1365 S1366 L1369 A1539 I1664 I1671 M1672 V1730 | Y1357-F1668 HydrophobicContact CD1-CD2 4.33Å; Y1357-F1668 AromaticContact CE1-CD2 3.84Å; Y1357-F1668 HydrophobicContact CE1-CD2 3.84Å; Y1357-F1668 HydrophobicContact CE1-CE2 4.44Å; Y1357-F1668 HydrophobicContact CE1-CG 4.4Å; L1362-F1668 HydrophobicContact CD1-CE2 3.63Å; L1362-F1668 HydrophobicContact CD1-CZ 3.64Å; L1362-F1668 HydrophobicContact CG-CE2 4.13Å; L1362-F1668 HydrophobicContact CG-CZ 4.31Å; M1365-F1668 HydrophobicContact CE-CD1 4.18Å; M1365-F1668 HydrophobicContact CE-CE1 3.23Å; M1365-F1668 HydrophobicContact CE-CE2 4.46Å; M1365-F1668 HydrophobicContact CE-CZ 3.42Å; M1365-F1668 VanDerWaalsContact CE-CZ 3.42Å; M1365-F1668 HydrophobicContact CG-CE1 4.16Å; M1365-F1668 HydrophobicContact CG-CZ 4.44Å; M1365-F1668 HydrophobicContact SD-CE1 4.27Å; S1366-F1668 WeakPolarHBondContact OG-CZ 3.49Å; L1369-F1668 HydrophobicContact CD1-CD1 3.9Å; L1369-F1668 HydrophobicContact CD1-CE1 3.46Å; L1369-F1668 VanDerWaalsContact CD1-CE1 3.46Å; L1369-F1668 HydrophobicContact CD1-CZ 4.42Å; A1539-F1668 HydrophobicContact CB-CB 3.5Å; I1664-F1668 HydrophobicContact CD1-CD2 4.4Å; I1664-F1668 HydrophobicContact CD1-CE2 4.05Å; I1664-F1668 HydrophobicContact CG1-CD2 3.81Å; I1664-F1668 HydrophobicContact CG1-CE2 3.66Å; I1664-F1668 WeakPolarHBondContact O-CD2 3.11Å; I1664-F1668 PolarHBondContact O-N 3.49Å; I1664-F1668 VanDerWaalsContact O-N 3.07Å; F1668-I1671 PolarHBondContact O-N 3.03Å; F1668-M1672 HydrophobicContact CB-CE 4.11Å; F1668-M1672 WeakPolarHBondContact O-CB 3.24Å; F1668-M1672 WeakPolarHBondContact O-CG 3.21Å; F1668-M1672 PolarHBondContact O-N 2.82Å; F1668-V1730 HydrophobicContact CD1-CG1 4.33Å; F1668-V1730 HydrophobicContact CD1-CG2 4.35Å |
| 1669 | G | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1543 Q1665 R1666 F1667 I1671 M1672 Q1673 | A1543-G1669 WeakPolarHBondContact CA-O 3.33Å; Q1665-G1669 WeakPolarHBondContact O-CA 3.36Å; Q1665-G1669 PolarHBondContact O-N 3.5Å; R1666-G1669 PolarHBondContact O-N 3Å; F1667-G1669 VanDerWaalsContact C-N 3.34Å; F1667-G1669 PolarHBondContact O-N 2.94Å; G1669-I1671 PolarHBondContact O-N 2.86Å; G1669-M1672 PolarHBondContact O-N 3.31Å; G1669-Q1673 WeakPolarHBondContact O-CB 3.28Å; G1669-Q1673 PolarHBondContact O-N 3.42Å |
| 1670 | Q | 95.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 18.2 Ų | 18.2 | 8% | 0.075 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.9 | -18.5 | 179.5 | -73.4 | 176.8 | -39.5 | 0 | 0 | 113.8 | S1600 L1601 R1666 Q1673 F1674 | S1600-Q1670 VanDerWaalsContact OG-CD 3.28Å; S1600-Q1670 PolarHBondContact OG-NE2 2.81Å; S1600-Q1670 PolarHBondContact OG-OE1 3.48Å; L1601-Q1670 HydrophobicContact CD2-CB 3.56Å; L1601-Q1670 HydrophobicContact CG-CB 4.49Å; R1666-Q1670 HydrophobicContact CG-CG 4.09Å; R1666-Q1670 WeakPolarHBondContact O-CB 3.31Å; R1666-Q1670 WeakPolarHBondContact O-CG 3.37Å; R1666-Q1670 PolarHBondContact O-N 3.35Å; R1666-Q1670 PolarHBondContact O-OE1 2.6Å; Q1670-Q1673 WeakPolarHBondContact O-CG 3.44Å; Q1670-F1674 WeakPolarHBondContact O-CD2 3.43Å; Q1670-F1674 WeakPolarHBondContact O-CE2 3.43Å |
| 1671 | I | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -84.3 | -53.1 | 170.6 | -65.8 | 170.5 | 0 | 0 | 0 | 109.6 | L1369 I1373 L1601 F1667 F1668 G1669 Q1673 F1674 V1730 S1731 A1732 | L1369-I1671 HydrophobicContact CB-CD1 4.04Å; L1369-I1671 HydrophobicContact CD1-CD1 4.13Å; L1369-I1671 HydrophobicContact CD2-CG2 4.37Å; L1369-I1671 HydrophobicContact CG-CD1 4.5Å; I1373-I1671 HydrophobicContact CD1-CD1 3.63Å; I1373-I1671 HydrophobicContact CD1-CG1 3.83Å; L1601-I1671 HydrophobicContact CD2-CD1 4.41Å; L1601-I1671 HydrophobicContact CD2-CG1 3.88Å; F1667-I1671 HydrophobicContact CD1-CD1 4.24Å; F1667-I1671 HydrophobicContact CD2-CD1 4.25Å; F1667-I1671 HydrophobicContact CE1-CD1 3.81Å; F1667-I1671 HydrophobicContact CE2-CD1 3.84Å; F1667-I1671 HydrophobicContact CG-CD1 4.46Å; F1667-I1671 HydrophobicContact CZ-CD1 3.6Å; F1667-I1671 WeakPolarHBondContact O-CG1 3.38Å; F1667-I1671 PolarHBondContact O-N 3.3Å; F1668-I1671 PolarHBondContact O-N 3.03Å; G1669-I1671 PolarHBondContact O-N 2.86Å; I1671-Q1673 PolarHBondContact O-N 2.89Å; I1671-F1674 PolarHBondContact O-N 3.44Å; I1671-V1730 HydrophobicContact CB-CG1 4.38Å; I1671-V1730 HydrophobicContact CG2-CG1 3.7Å; I1671-S1731 WeakPolarHBondContact CG2-O 3.47Å; I1671-A1732 HydrophobicContact CG2-CB 4.15Å |
| 1672 | M | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.3 | -27.8 | -178.8 | -73.9 | -170.5 | -60.5 | 0 | 0 | 112.8 | A1539 F1540 A1543 F1668 G1669 F1674 Q1675 I1676 V1730 | A1539-M1672 HydrophobicContact CB-CE 3.42Å; A1539-M1672 VanDerWaalsContact CB-CE 3.42Å; F1540-M1672 HydrophobicContact CD2-CE 4.27Å; F1540-M1672 HydrophobicContact CE2-CE 4.46Å; F1540-M1672 HydrophobicContact CE2-SD 4.29Å; A1543-M1672 HydrophobicContact CB-CB 3.61Å; A1543-M1672 HydrophobicContact CB-CE 4.18Å; F1668-M1672 HydrophobicContact CB-CE 4.11Å; F1668-M1672 WeakPolarHBondContact O-CB 3.24Å; F1668-M1672 WeakPolarHBondContact O-CG 3.21Å; F1668-M1672 PolarHBondContact O-N 2.82Å; G1669-M1672 PolarHBondContact O-N 3.31Å; M1672-F1674 PolarHBondContact O-N 3.34Å; M1672-Q1675 PolarHBondContact O-N 3.26Å; M1672-Q1675 VanDerWaalsContact O-N 3.12Å; M1672-I1676 WeakPolarHBondContact O-CB 3.27Å; M1672-I1676 WeakPolarHBondContact O-CG1 3.48Å; M1672-I1676 PolarHBondContact O-N 3.12Å; M1672-V1730 HydrophobicContact CG-CB 4.29Å; M1672-V1730 HydrophobicContact CG-CG1 3.66Å; M1672-V1730 HydrophobicContact CG-CG2 3.8Å; M1672-V1730 HydrophobicContact SD-CG2 3.68Å |
| 1673 | Q | 96.1 | Very high | 95 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.5 | -38.4 | 178.1 | 76 | -177.8 | 28.2 | 0 | 0 | 111.6 | A1543 A1547 L1550 G1669 Q1670 I1671 Y1677 | A1543-Q1673 WeakPolarHBondContact O-CA 3.27Å; A1543-Q1673 VanDerWaalsContact O-CB 3.25Å; A1543-Q1673 WeakPolarHBondContact O-CB 3.3Å; A1547-Q1673 WeakPolarHBondContact CB-O 3.46Å; L1550-Q1673 HydrophobicContact CD1-CG 4.12Å; G1669-Q1673 WeakPolarHBondContact O-CB 3.28Å; G1669-Q1673 PolarHBondContact O-N 3.42Å; Q1670-Q1673 WeakPolarHBondContact O-CG 3.44Å; I1671-Q1673 PolarHBondContact O-N 2.89Å; Q1673-Y1677 WeakPolarHBondContact O-CB 3.19Å; Q1673-Y1677 PolarHBondContact O-N 3.36Å |
| 1674 | F | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -74.2 | -35.9 | 179.6 | -66.9 | -85 | 0 | 0 | 0 | 111.6 | L1550 I1597 Q1670 I1671 M1672 Y1677 Q1678 P1734 M1735 Y1738 F1739 | L1550-F1674 HydrophobicContact CD1-CD1 3.63Å; L1550-F1674 HydrophobicContact CD1-CE1 3.66Å; L1550-F1674 HydrophobicContact CD1-CG 4.2Å; L1550-F1674 HydrophobicContact CD1-CZ 4.25Å; L1550-F1674 HydrophobicContact CD2-CE1 4Å; L1550-F1674 HydrophobicContact CD2-CZ 4.31Å; I1597-F1674 HydrophobicContact CD1-CE2 4.49Å; I1597-F1674 HydrophobicContact CD1-CZ 3.83Å; I1597-F1674 HydrophobicContact CG2-CE2 4.16Å; I1597-F1674 HydrophobicContact CG2-CZ 4.33Å; Q1670-F1674 WeakPolarHBondContact O-CD2 3.43Å; Q1670-F1674 WeakPolarHBondContact O-CE2 3.43Å; I1671-F1674 PolarHBondContact O-N 3.44Å; M1672-F1674 PolarHBondContact O-N 3.34Å; F1674-Y1677 PolarHBondContact O-N 3.05Å; F1674-Q1678 WeakPolarHBondContact O-CB 3.44Å; F1674-Q1678 PolarHBondContact O-N 2.86Å; F1674-P1734 HydrophobicContact CB-CB 4.07Å; F1674-M1735 HydrophobicContact CB-CB 3.98Å; F1674-M1735 HydrophobicContact CD1-CB 4.34Å; F1674-M1735 HydrophobicContact CD2-CB 3.54Å; F1674-M1735 HydrophobicContact CD2-CG 3.67Å; F1674-M1735 HydrophobicContact CD2-SD 4.35Å; F1674-M1735 HydrophobicContact CE1-CG 4.49Å; F1674-M1735 HydrophobicContact CE2-CB 4.06Å; F1674-M1735 HydrophobicContact CE2-CG 3.63Å; F1674-M1735 HydrophobicContact CE2-SD 4.13Å; F1674-M1735 HydrophobicContact CG-CB 3.7Å; F1674-M1735 HydrophobicContact CG-CG 4.14Å; F1674-M1735 HydrophobicContact CZ-CG 4.06Å; F1674-Y1738 HydrophobicContact CD1-CD1 4.39Å; F1674-Y1738 AromaticContact CD1-CD2 3.9Å; F1674-Y1738 HydrophobicContact CD1-CD2 3.9Å; F1674-Y1738 AromaticContact CD1-CG 3.8Å; F1674-Y1738 HydrophobicContact CD1-CG 3.8Å; F1674-Y1738 AromaticContact CE1-CD1 3.74Å; F1674-Y1738 HydrophobicContact CE1-CD1 3.74Å; F1674-Y1738 AromaticContact CE1-CD2 3.9Å; F1674-Y1738 HydrophobicContact CE1-CD2 3.9Å; F1674-Y1738 HydrophobicContact CE1-CE1 4.15Å; F1674-Y1738 HydrophobicContact CE1-CE2 4.28Å; F1674-Y1738 AromaticContact CE1-CG 3.62Å; F1674-Y1738 HydrophobicContact CE1-CG 3.62Å; F1674-F1739 HydrophobicContact CE1-CE2 4.04Å; F1674-F1739 AromaticContact CZ-CE2 3.72Å; F1674-F1739 HydrophobicContact CZ-CE2 3.72Å; F1674-F1739 HydrophobicContact CZ-CZ 4.25Å |
| 1675 | Q | 95.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 176.2 | -167.9 | -179.8 | 6.8 | 0 | 0 | 111.8 | M1672 A1679 T1725 R1729 S1731 P1734 | M1672-Q1675 PolarHBondContact O-N 3.26Å; M1672-Q1675 VanDerWaalsContact O-N 3.12Å; Q1675-A1679 PolarHBondContact O-N 2.85Å; Q1675-A1679 VanDerWaalsContact O-N 3.16Å; Q1675-T1725 HydrophobicContact CG-CG2 4Å; Q1675-R1729 PolarHBondContact NE2-O 3.3Å; Q1675-R1729 PolarHBondContact OE1-O 2.78Å; Q1675-S1731 VanDerWaalsContact OE1-N 3.13Å; Q1675-P1734 HydrophobicContact CB-CG 4Å; Q1675-P1734 HydrophobicContact CG-CG 4.12Å |
| 1676 | I | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 172.5 | -70.5 | 172.4 | 0 | 0 | 0 | 109.8 | A1543 I1544 A1547 M1672 Q1678 A1679 L1680 L1721 I1724 T1725 | A1543-I1676 HydrophobicContact CB-CD1 3.66Å; I1544-I1676 HydrophobicContact CD1-CD1 3.86Å; I1544-I1676 HydrophobicContact CD1-CG2 4.09Å; I1544-I1676 HydrophobicContact CG1-CD1 4.32Å; A1547-I1676 HydrophobicContact CB-CB 4.26Å; A1547-I1676 HydrophobicContact CB-CG2 3.76Å; M1672-I1676 WeakPolarHBondContact O-CB 3.27Å; M1672-I1676 WeakPolarHBondContact O-CG1 3.48Å; M1672-I1676 PolarHBondContact O-N 3.12Å; I1676-Q1678 PolarHBondContact O-N 3.36Å; I1676-A1679 WeakPolarHBondContact O-CB 3.37Å; I1676-A1679 PolarHBondContact O-N 2.72Å; I1676-A1679 VanDerWaalsContact O-N 3.15Å; I1676-L1680 HydrophobicContact CG2-CD1 3.87Å; I1676-L1680 HydrophobicContact CG2-CG 4.23Å; I1676-L1680 VanDerWaalsContact O-CG 3.32Å; I1676-L1680 WeakPolarHBondContact O-CG 3.45Å; I1676-L1680 PolarHBondContact O-N 2.97Å; I1676-L1721 HydrophobicContact CG1-CD1 4.34Å; I1676-I1724 HydrophobicContact CG1-CG2 4.38Å; I1676-I1724 HydrophobicContact CG2-CG2 4.18Å; I1676-T1725 HydrophobicContact CG1-CG2 4.23Å |
| 1677 | Y | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -47.8 | 179.7 | -170.9 | -122.5 | 0 | 0 | 0 | 111.8 | A1547 L1550 S1551 Q1673 F1674 A1679 L1680 C1681 L1690 C1693 I1695 Y1738 | A1547-Y1677 HydrophobicContact CB-CD2 4.46Å; A1547-Y1677 VanDerWaalsContact O-CD2 3.24Å; A1547-Y1677 WeakPolarHBondContact O-CD2 3.26Å; L1550-Y1677 HydrophobicContact CB-CD1 4.11Å; L1550-Y1677 HydrophobicContact CB-CD2 4.17Å; L1550-Y1677 HydrophobicContact CB-CE1 4.04Å; L1550-Y1677 HydrophobicContact CB-CE2 4.12Å; L1550-Y1677 HydrophobicContact CB-CG 4.17Å; L1550-Y1677 HydrophobicContact CD1-CD1 3.97Å; L1550-Y1677 HydrophobicContact CD1-CG 4.04Å; S1551-Y1677 WeakPolarHBondContact CA-OH 3.47Å; Q1673-Y1677 WeakPolarHBondContact O-CB 3.19Å; Q1673-Y1677 PolarHBondContact O-N 3.36Å; F1674-Y1677 PolarHBondContact O-N 3.05Å; Y1677-A1679 VanDerWaalsContact C-N 3.29Å; Y1677-A1679 PolarHBondContact O-N 3.21Å; Y1677-L1680 PolarHBondContact O-N 3.27Å; Y1677-L1680 VanDerWaalsContact O-N 3.13Å; Y1677-C1681 WeakPolarHBondContact O-CB 3.37Å; Y1677-C1681 PolarHBondContact O-N 3.46Å; Y1677-C1681 PolarHBondContact O-SG 3.1Å; Y1677-L1690 HydrophobicContact CD1-CD1 3.76Å; Y1677-L1690 HydrophobicContact CD1-CD2 4.19Å; Y1677-L1690 HydrophobicContact CD1-CG 3.79Å; Y1677-L1690 HydrophobicContact CE1-CD1 4.07Å; Y1677-L1690 HydrophobicContact CE1-CG 4.12Å; Y1677-L1690 WeakPolarHBondContact CE1-O 3.48Å; Y1677-C1693 HydrophobicContact CE1-CB 4.03Å; Y1677-C1693 PolarHBondContact OH-O 3.34Å; Y1677-I1695 HydrophobicContact CE2-CG2 4.28Å; Y1677-Y1738 HydrophobicContact CE1-CE2 4.21Å |
| 1678 | Q | 95.8 | Very high | 93.5 | Very high | 59 Ų | 59 | 28.9 Ų | 28.9 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55 | -44.5 | 173.7 | -173.2 | -178.7 | 50.6 | 0 | 0 | 112.1 | F1674 I1676 C1681 N1682 L1690 P1734 | F1674-Q1678 WeakPolarHBondContact O-CB 3.44Å; F1674-Q1678 PolarHBondContact O-N 2.86Å; I1676-Q1678 PolarHBondContact O-N 3.36Å; Q1678-C1681 PolarHBondContact O-N 3.26Å; Q1678-N1682 WeakPolarHBondContact O-CB 3.31Å; Q1678-N1682 PolarHBondContact O-N 3.41Å; Q1678-N1682 PolarHBondContact O-ND2 3.37Å; Q1678-N1682 PolarHBondContact O-OD1 2.87Å; Q1678-L1690 HydrophobicContact CB-CD1 4.08Å; Q1678-L1690 HydrophobicContact CB-CD2 3.88Å; Q1678-L1690 HydrophobicContact CG-CD1 4.42Å; Q1678-L1690 HydrophobicContact CG-CD2 4.44Å; Q1678-P1734 HydrophobicContact CB-CB 4.2Å; Q1678-P1734 VanDerWaalsContact OE1-CG 3.31Å |
| 1679 | A | 94.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 31 Ų | 31 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1675 I1676 Y1677 N1682 Q1683 I1724 T1725 | Q1675-A1679 PolarHBondContact O-N 2.85Å; Q1675-A1679 VanDerWaalsContact O-N 3.16Å; I1676-A1679 WeakPolarHBondContact O-CB 3.37Å; I1676-A1679 PolarHBondContact O-N 2.72Å; I1676-A1679 VanDerWaalsContact O-N 3.15Å; Y1677-A1679 VanDerWaalsContact C-N 3.29Å; Y1677-A1679 PolarHBondContact O-N 3.21Å; A1679-N1682 PolarHBondContact O-N 2.9Å; A1679-Q1683 WeakPolarHBondContact O-CG 3.32Å; A1679-Q1683 PolarHBondContact O-N 2.9Å; A1679-I1724 HydrophobicContact CB-CG2 4.21Å; A1679-I1724 WeakPolarHBondContact CB-O 3.22Å; A1679-T1725 HydrophobicContact CB-CG2 4Å |
| 1680 | L | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -38.8 | 176.3 | -64.4 | 176.2 | 0 | 0 | 0 | 111.7 | I1676 Y1677 Q1683 S1684 I1695 A1701 L1705 | I1676-L1680 HydrophobicContact CG2-CD1 3.87Å; I1676-L1680 HydrophobicContact CG2-CG 4.23Å; I1676-L1680 VanDerWaalsContact O-CG 3.32Å; I1676-L1680 WeakPolarHBondContact O-CG 3.45Å; I1676-L1680 PolarHBondContact O-N 2.97Å; Y1677-L1680 PolarHBondContact O-N 3.27Å; Y1677-L1680 VanDerWaalsContact O-N 3.13Å; L1680-Q1683 CarbonylContact O-C 3.29Å; L1680-Q1683 PolarHBondContact O-N 3.47Å; L1680-Q1683 VanDerWaalsContact O-N 3.17Å; L1680-S1684 PolarHBondContact O-N 2.95Å; L1680-I1695 HydrophobicContact CB-CD1 4.31Å; L1680-I1695 HydrophobicContact CB-CG2 4.07Å; L1680-I1695 HydrophobicContact CD1-CD1 3.95Å; L1680-A1701 HydrophobicContact CB-CB 4.35Å; L1680-A1701 HydrophobicContact CD2-CB 4.25Å; L1680-A1701 WeakPolarHBondContact CD2-O 3.39Å; L1680-L1705 HydrophobicContact CD1-CD1 4.36Å; L1680-L1705 HydrophobicContact CD2-CB 4.11Å; L1680-L1705 HydrophobicContact CD2-CD1 4.48Å |
| 1681 | C | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 173.8 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | Y1677 Q1678 Q1683 S1684 G1685 H1686 L1690 C1693 | Y1677-C1681 WeakPolarHBondContact O-CB 3.37Å; Y1677-C1681 PolarHBondContact O-N 3.46Å; Y1677-C1681 PolarHBondContact O-SG 3.1Å; Q1678-C1681 PolarHBondContact O-N 3.26Å; C1681-Q1683 VanDerWaalsContact C-N 3.27Å; C1681-Q1683 PolarHBondContact O-N 3.29Å; C1681-S1684 WeakPolarHBondContact CA-OG 3.47Å; C1681-S1684 PolarHBondContact O-N 3.42Å; C1681-S1684 PolarHBondContact O-OG 2.98Å; C1681-G1685 PolarHBondContact O-N 2.85Å; C1681-G1685 VanDerWaalsContact O-N 3.16Å; C1681-H1686 HydrophobicContact CB-CB 4.17Å; C1681-H1686 PolarHBondContact O-N 2.95Å; C1681-H1686 VanDerWaalsContact O-N 3.14Å; C1681-L1690 HydrophobicContact CB-CD1 3.88Å; C1681-C1693 WeakPolarHBondContact CA-SG 3.29Å; C1681-C1693 HydrophobicContact CB-CB 3.87Å; C1681-C1693 WeakPolarHBondContact CB-SG 3.3Å; C1681-C1693 WeakPolarHBondContact SG-CB 3.23Å; C1681-C1693 CovalentContact SG-SG 2.01Å; C1681-C1693 PolarHBondContact SG-SG 3.39Å |
| 1682 | N | 93 | Very high | 92.3 | Very high | 109 Ų | 109 | 35.1 Ų | 35.1 | 58% | 0.583 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.2 | -38.3 | 173.3 | -68 | -13.8 | 0 | 0 | 0 | 111.7 | Q1678 A1679 G1685 | Q1678-N1682 WeakPolarHBondContact O-CB 3.31Å; Q1678-N1682 PolarHBondContact O-N 3.41Å; Q1678-N1682 PolarHBondContact O-ND2 3.37Å; Q1678-N1682 PolarHBondContact O-OD1 2.87Å; A1679-N1682 PolarHBondContact O-N 2.9Å; N1682-G1685 PolarHBondContact O-N 3.19Å |
| 1683 | Q | 91.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.4 | -28.5 | 174.8 | -66.1 | -60.5 | -19.7 | 0 | 0 | 113.2 | A1679 L1680 C1681 G1685 A1701 T1704 | A1679-Q1683 WeakPolarHBondContact O-CG 3.32Å; A1679-Q1683 PolarHBondContact O-N 2.9Å; L1680-Q1683 CarbonylContact O-C 3.29Å; L1680-Q1683 PolarHBondContact O-N 3.47Å; L1680-Q1683 VanDerWaalsContact O-N 3.17Å; C1681-Q1683 VanDerWaalsContact C-N 3.27Å; C1681-Q1683 PolarHBondContact O-N 3.29Å; Q1683-G1685 PolarHBondContact O-N 2.74Å; Q1683-A1701 HydrophobicContact CB-CB 4.32Å; Q1683-T1704 HydrophobicContact CG-CG2 4.46Å |
| 1684 | S | 91.2 | Very high | 92 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -73.8 | -13.5 | 173.3 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | L1680 C1681 S1698 | L1680-S1684 PolarHBondContact O-N 2.95Å; C1681-S1684 WeakPolarHBondContact CA-OG 3.47Å; C1681-S1684 PolarHBondContact O-N 3.42Å; C1681-S1684 PolarHBondContact O-OG 2.98Å; S1684-S1698 VanDerWaalsContact CA-OG 3.31Å; S1684-S1698 WeakPolarHBondContact CA-OG 3.23Å |
| 1685 | G | 87.8 | Confident | 91.8 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 58% | 0.577 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 19.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1681 N1682 Q1683 | C1681-G1685 PolarHBondContact O-N 2.85Å; C1681-G1685 VanDerWaalsContact O-N 3.16Å; N1682-G1685 PolarHBondContact O-N 3.19Å; Q1683-G1685 PolarHBondContact O-N 2.74Å |
| 1686 | H | 90 | Very high | 91.6 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | trans | -61.8 | 133.8 | 175.5 | -178.1 | 65.5 | 0 | 0 | 0 | 111 | C1681 P1689 R1692 C1693 | C1681-H1686 HydrophobicContact CB-CB 4.17Å; C1681-H1686 PolarHBondContact O-N 2.95Å; C1681-H1686 VanDerWaalsContact O-N 3.14Å; H1686-P1689 PolarHBondContact NE2-O 3.03Å; H1686-R1692 VanDerWaalsContact CE1-C 3.47Å; H1686-R1692 PolarHBondContact CE1-O 3.36Å; H1686-C1693 HydrophobicContact CB-CB 4.4Å; H1686-C1693 PolarHBondContact CE1-N 3.48Å; H1686-C1693 PolarHBondContact NE2-N 3.04Å | ||
| 1687 | V | 85 | Confident | 91.4 | Very high | 138 Ų | 138 | 41.7 Ų | 41.7 | 84% | 0.836 | 25% | 0.25 | S | S | * | . | trans | -125.5 | 117.3 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1688 | G | 85.1 | Confident | 91.3 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 54% | 0.536 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 137.1 | -172.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1689 | P | 87.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | trans | -64.7 | 147.9 | 179 | 29.1 | -35.6 | 0 | 0 | 0 | 111 | H1686 H1691 R1692 | H1686-P1689 PolarHBondContact NE2-O 3.03Å; P1689-H1691 VanDerWaalsContact C-N 3.27Å; P1689-H1691 VanDerWaalsContact CB-CE1 3.41Å; P1689-H1691 WeakPolarHBondContact CB-CE1 3.46Å; P1689-H1691 PolarHBondContact O-N 2.81Å; P1689-R1692 HydrophobicContact CG-CB 4.4Å; P1689-R1692 HydrophobicContact CG-CG 3.94Å; P1689-R1692 PolarHBondContact O-N 2.74Å; P1689-R1692 VanDerWaalsContact O-N 3.15Å | ||
| 1690 | L | 91.3 | Very high | 91 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -63.5 | -31.6 | -170 | -173.6 | 59.3 | 0 | 0 | 0 | 113 | Y1677 Q1678 C1681 R1692 C1693 Y1738 | Y1677-L1690 HydrophobicContact CD1-CD1 3.76Å; Y1677-L1690 HydrophobicContact CD1-CD2 4.19Å; Y1677-L1690 HydrophobicContact CD1-CG 3.79Å; Y1677-L1690 HydrophobicContact CE1-CD1 4.07Å; Y1677-L1690 HydrophobicContact CE1-CG 4.12Å; Y1677-L1690 WeakPolarHBondContact CE1-O 3.48Å; Q1678-L1690 HydrophobicContact CB-CD1 4.08Å; Q1678-L1690 HydrophobicContact CB-CD2 3.88Å; Q1678-L1690 HydrophobicContact CG-CD1 4.42Å; Q1678-L1690 HydrophobicContact CG-CD2 4.44Å; C1681-L1690 HydrophobicContact CB-CD1 3.88Å; L1690-R1692 PolarHBondContact O-N 3.08Å; L1690-C1693 VanDerWaalsContact O-CB 3.25Å; L1690-C1693 WeakPolarHBondContact O-CB 3.42Å; L1690-C1693 PolarHBondContact O-N 3.25Å; L1690-C1693 VanDerWaalsContact O-N 3.14Å; L1690-Y1738 HydrophobicContact CB-CD2 4.09Å; L1690-Y1738 HydrophobicContact CD2-CD2 4.12Å; L1690-Y1738 HydrophobicContact CG-CD2 3.89Å |
| 1691 | H | 89.7 | Confident | 90.8 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.023 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -68.9 | -15.5 | 179.5 | 65.7 | -98 | 0 | 0 | 0 | 114.8 | Y1589 L1590 P1689 Y1738 | Y1589-H1691 HydrophobicContact CE1-CB 4.35Å; L1590-H1691 HydrophobicContact CD2-CB 3.65Å; P1689-H1691 VanDerWaalsContact C-N 3.27Å; P1689-H1691 VanDerWaalsContact CB-CE1 3.41Å; P1689-H1691 WeakPolarHBondContact CB-CE1 3.46Å; P1689-H1691 PolarHBondContact O-N 2.81Å; H1691-Y1738 HydrophobicContact CB-CD1 4.27Å; H1691-Y1738 HydrophobicContact CB-CD2 3.99Å; H1691-Y1738 HydrophobicContact CB-CE1 3.89Å; H1691-Y1738 HydrophobicContact CB-CE2 3.61Å; H1691-Y1738 HydrophobicContact CB-CG 4.31Å |
| 1692 | R | 88.8 | Confident | 90.7 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -89.7 | -5.1 | 173.2 | -68.3 | -176 | -175.8 | 166 | 0.3 | 113.6 | E1556 D1581 E1586 H1686 P1689 L1690 | E1556-R1692 VanDerWaalsContact CG-O 3.28Å; E1556-R1692 WeakPolarHBondContact CG-O 3.26Å; D1581-R1692 PolarHBondContact O-NH2 3.34Å; E1586-R1692 VanDerWaalsContact CD-NH2 3.27Å; E1586-R1692 IonicContact OE1-CZ 3.04Å; E1586-R1692 IonicContact OE1-NE 2.93Å; E1586-R1692 PolarHBondContact OE1-NE 2.76Å; E1586-R1692 IonicContact OE1-NH2 3.62Å; E1586-R1692 PolarHBondContact OE1-NH2 3.11Å; E1586-R1692 IonicContact OE2-NH2 3.63Å; E1586-R1692 PolarHBondContact OE2-NH2 3.04Å; H1686-R1692 VanDerWaalsContact CE1-C 3.47Å; H1686-R1692 PolarHBondContact CE1-O 3.36Å; P1689-R1692 HydrophobicContact CG-CB 4.4Å; P1689-R1692 HydrophobicContact CG-CG 3.94Å; P1689-R1692 PolarHBondContact O-N 2.74Å; P1689-R1692 VanDerWaalsContact O-N 3.15Å; L1690-R1692 PolarHBondContact O-N 3.08Å |
| 1693 | C | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -66 | 141.2 | 179.4 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | S1554 Y1677 C1681 H1686 L1690 | S1554-C1693 WeakPolarHBondContact CB-O 3.43Å; S1554-C1693 PolarHBondContact OG-O 3.17Å; Y1677-C1693 HydrophobicContact CE1-CB 4.03Å; Y1677-C1693 PolarHBondContact OH-O 3.34Å; C1681-C1693 WeakPolarHBondContact CA-SG 3.29Å; C1681-C1693 HydrophobicContact CB-CB 3.87Å; C1681-C1693 WeakPolarHBondContact CB-SG 3.3Å; C1681-C1693 WeakPolarHBondContact SG-CB 3.23Å; C1681-C1693 CovalentContact SG-SG 2.01Å; C1681-C1693 PolarHBondContact SG-SG 3.39Å; H1686-C1693 HydrophobicContact CB-CB 4.4Å; H1686-C1693 PolarHBondContact CE1-N 3.48Å; H1686-C1693 PolarHBondContact NE2-N 3.04Å; L1690-C1693 VanDerWaalsContact O-CB 3.25Å; L1690-C1693 WeakPolarHBondContact O-CB 3.42Å; L1690-C1693 PolarHBondContact O-N 3.25Å; L1690-C1693 VanDerWaalsContact O-N 3.14Å | ||
| 1694 | D | 91.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | trans | -132.5 | 117.8 | 161.6 | 176.3 | 19.6 | 0 | 0 | 0 | 107.2 | S1551 E1556 H1557 A1696 | S1551-D1694 PolarHBondContact OG-OD1 2.75Å; E1556-D1694 HydrophobicContact CB-CB 4.26Å; H1557-D1694 HydrophobicContact CB-CB 4.43Å; H1557-D1694 IonicContact CG-OD1 2.73Å; H1557-D1694 IonicContact CG-OD2 3.11Å; H1557-D1694 VanDerWaalsContact ND1-CG 3.33Å; H1557-D1694 IonicContact ND1-OD1 2.95Å; H1557-D1694 PolarHBondContact ND1-OD1 3.28Å; H1557-D1694 VanDerWaalsContact ND1-OD1 3.15Å; H1557-D1694 IonicContact ND1-OD2 3.78Å; H1557-D1694 PolarHBondContact ND1-OD2 3.39Å; D1694-A1696 VanDerWaalsContact C-N 3.28Å; D1694-A1696 PolarHBondContact O-N 3.38Å; D1694-A1696 VanDerWaalsContact OD1-CB 3.26Å; D1694-A1696 WeakPolarHBondContact OD1-CB 3.32Å; D1694-A1696 PolarHBondContact OD1-N 3.24Å; D1694-A1696 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 1695 | I | 94.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | trans | -83.8 | -3.6 | -179 | 68.6 | 169.7 | 0 | 0 | 0 | 112.6 | F1454 I1458 I1548 S1551 Y1677 L1680 S1698 A1701 | F1454-I1695 HydrophobicContact CE2-CG1 4.47Å; F1454-I1695 HydrophobicContact CZ-CD1 4.27Å; F1454-I1695 HydrophobicContact CZ-CG1 3.93Å; I1458-I1695 HydrophobicContact CG2-CG1 4.47Å; I1458-I1695 VanDerWaalsContact CG2-O 3.25Å; I1458-I1695 WeakPolarHBondContact CG2-O 3.5Å; I1548-I1695 HydrophobicContact CD1-CD1 4.01Å; S1551-I1695 WeakPolarHBondContact OG-CG1 3.41Å; S1551-I1695 PolarHBondContact OG-N 3.36Å; Y1677-I1695 HydrophobicContact CE2-CG2 4.28Å; L1680-I1695 HydrophobicContact CB-CD1 4.31Å; L1680-I1695 HydrophobicContact CB-CG2 4.07Å; L1680-I1695 HydrophobicContact CD1-CD1 3.95Å; I1695-S1698 VanDerWaalsContact O-CB 3.23Å; I1695-S1698 WeakPolarHBondContact O-CB 3.37Å; I1695-S1698 PolarHBondContact O-N 2.98Å; I1695-A1701 HydrophobicContact CB-CB 4.49Å | ||
| 1696 | A | 91.3 | Very high | 91 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 142.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1454 D1694 S1698 | F1454-A1696 HydrophobicContact CD2-CB 4.07Å; F1454-A1696 HydrophobicContact CE2-CB 4Å; D1694-A1696 VanDerWaalsContact C-N 3.28Å; D1694-A1696 PolarHBondContact O-N 3.38Å; D1694-A1696 VanDerWaalsContact OD1-CB 3.26Å; D1694-A1696 WeakPolarHBondContact OD1-CB 3.32Å; D1694-A1696 PolarHBondContact OD1-N 3.24Å; D1694-A1696 WeakPolarHBondContact OD2-CB 3.46Å; A1696-S1698 PolarHBondContact O-N 3.49Å |
| 1697 | N | 90.9 | Very high | 91 | Very high | 110 Ų | 110 | 53.5 Ų | 53.5 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 4.9 | -171.2 | -57.4 | -33.6 | 0 | 0 | 0 | 116.1 | S1457 K1560 T1699 | S1457-N1697 WeakPolarHBondContact CB-OD1 3.33Å; S1457-N1697 CarbonylContact O-C 3.54Å; S1457-N1697 VanDerWaalsContact O-CA 3.25Å; S1457-N1697 WeakPolarHBondContact O-CA 3.31Å; S1457-N1697 PolarHBondContact OG-N 3.16Å; K1560-N1697 PolarHBondContact NZ-ND2 3.38Å; N1697-T1699 PolarHBondContact O-N 3.33Å |
| 1698 | S | 94 | Very high | 91.2 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | trans | -91.9 | 92.1 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 112 | S1684 I1695 A1696 K1700 A1701 G1702 | S1684-S1698 VanDerWaalsContact CA-OG 3.31Å; S1684-S1698 WeakPolarHBondContact CA-OG 3.23Å; I1695-S1698 VanDerWaalsContact O-CB 3.23Å; I1695-S1698 WeakPolarHBondContact O-CB 3.37Å; I1695-S1698 PolarHBondContact O-N 2.98Å; A1696-S1698 PolarHBondContact O-N 3.49Å; S1698-K1700 PolarHBondContact O-N 2.93Å; S1698-A1701 PolarHBondContact O-N 2.84Å; S1698-A1701 VanDerWaalsContact OG-CB 3.29Å; S1698-A1701 WeakPolarHBondContact OG-CB 3.44Å; S1698-A1701 PolarHBondContact OG-N 3.48Å; S1698-A1701 VanDerWaalsContact OG-N 3.11Å; S1698-G1702 PolarHBondContact O-N 3.06Å; S1698-G1702 VanDerWaalsContact O-N 3.16Å | ||
| 1699 | T | 93 | Very high | 91.6 | Very high | 77 Ų | 77 | 44.8 Ų | 44.8 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.6 | -27.2 | 173.6 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | I1458 N1697 Q1703 | I1458-T1699 WeakPolarHBondContact O-CA 3.29Å; N1697-T1699 PolarHBondContact O-N 3.33Å; T1699-Q1703 WeakPolarHBondContact O-CB 3.27Å; T1699-Q1703 VanDerWaalsContact O-CG 3.23Å; T1699-Q1703 WeakPolarHBondContact O-CG 3.48Å; T1699-Q1703 PolarHBondContact O-N 3.16Å |
| 1700 | K | 91.1 | Very high | 91.9 | Very high | 115 Ų | 115 | 44 Ų | 44 | 50% | 0.5 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.9 | -41.2 | 177.1 | -168.2 | 180 | 179.1 | -154.3 | 0 | 111.6 | S1698 Q1703 T1704 | S1698-K1700 PolarHBondContact O-N 2.93Å; K1700-Q1703 PolarHBondContact O-N 3.47Å; K1700-T1704 PolarHBondContact O-N 2.92Å; K1700-T1704 VanDerWaalsContact O-N 3.16Å; K1700-T1704 PolarHBondContact O-OG1 3.36Å |
| 1701 | A | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1680 Q1683 I1695 S1698 Q1703 T1704 L1705 | L1680-A1701 HydrophobicContact CB-CB 4.35Å; L1680-A1701 HydrophobicContact CD2-CB 4.25Å; L1680-A1701 WeakPolarHBondContact CD2-O 3.39Å; Q1683-A1701 HydrophobicContact CB-CB 4.32Å; I1695-A1701 HydrophobicContact CB-CB 4.49Å; S1698-A1701 PolarHBondContact O-N 2.84Å; S1698-A1701 VanDerWaalsContact OG-CB 3.29Å; S1698-A1701 WeakPolarHBondContact OG-CB 3.44Å; S1698-A1701 PolarHBondContact OG-N 3.48Å; S1698-A1701 VanDerWaalsContact OG-N 3.11Å; A1701-Q1703 PolarHBondContact O-N 3.09Å; A1701-T1704 PolarHBondContact O-N 3.13Å; A1701-L1705 WeakPolarHBondContact O-CB 3.47Å; A1701-L1705 PolarHBondContact O-N 3.37Å |
| 1702 | G | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.9 | -29.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1458 S1698 L1705 Y1706 | I1458-G1702 WeakPolarHBondContact O-CA 3.34Å; S1698-G1702 PolarHBondContact O-N 3.06Å; S1698-G1702 VanDerWaalsContact O-N 3.16Å; G1702-L1705 PolarHBondContact O-N 3.32Å; G1702-Y1706 VanDerWaalsContact O-CB 3.29Å; G1702-Y1706 WeakPolarHBondContact O-CB 3.39Å; G1702-Y1706 PolarHBondContact O-N 2.95Å |
| 1703 | Q | 91.7 | Very high | 92.3 | Very high | 134 Ų | 134 | 41.2 Ų | 41.2 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -65.2 | -45.8 | 171.2 | -79.8 | 173.2 | 6.1 | 0 | 0 | 112.5 | T1699 K1700 A1701 L1705 Y1706 R1707 | T1699-Q1703 WeakPolarHBondContact O-CB 3.27Å; T1699-Q1703 VanDerWaalsContact O-CG 3.23Å; T1699-Q1703 WeakPolarHBondContact O-CG 3.48Å; T1699-Q1703 PolarHBondContact O-N 3.16Å; K1700-Q1703 PolarHBondContact O-N 3.47Å; A1701-Q1703 PolarHBondContact O-N 3.09Å; Q1703-L1705 VanDerWaalsContact C-N 3.3Å; Q1703-L1705 PolarHBondContact O-N 3.25Å; Q1703-Y1706 PolarHBondContact O-N 3.25Å; Q1703-R1707 WeakPolarHBondContact O-CB 3.44Å; Q1703-R1707 PolarHBondContact O-N 3.3Å |
| 1704 | T | 91.5 | Very high | 92.3 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 17% | 0.172 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 174.9 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | Q1683 K1700 A1701 A1708 | Q1683-T1704 HydrophobicContact CG-CG2 4.46Å; K1700-T1704 PolarHBondContact O-N 2.92Å; K1700-T1704 VanDerWaalsContact O-N 3.16Å; K1700-T1704 PolarHBondContact O-OG1 3.36Å; A1701-T1704 PolarHBondContact O-N 3.13Å; T1704-A1708 PolarHBondContact O-N 3.01Å |
| 1705 | L | 92.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -60.1 | 175.8 | -173.5 | 63.2 | 0 | 0 | 0 | 110.9 | I1458 I1544 I1548 L1680 A1701 G1702 Q1703 R1707 A1708 L1709 | I1458-L1705 HydrophobicContact CD1-CD2 4.24Å; I1544-L1705 HydrophobicContact CD1-CD1 3.44Å; I1544-L1705 VanDerWaalsContact CD1-CD1 3.44Å; I1544-L1705 HydrophobicContact CG2-CD1 4.12Å; I1548-L1705 HydrophobicContact CD1-CD2 4.12Å; L1680-L1705 HydrophobicContact CD1-CD1 4.36Å; L1680-L1705 HydrophobicContact CD2-CB 4.11Å; L1680-L1705 HydrophobicContact CD2-CD1 4.48Å; A1701-L1705 WeakPolarHBondContact O-CB 3.47Å; A1701-L1705 PolarHBondContact O-N 3.37Å; G1702-L1705 PolarHBondContact O-N 3.32Å; Q1703-L1705 VanDerWaalsContact C-N 3.3Å; Q1703-L1705 PolarHBondContact O-N 3.25Å; L1705-R1707 VanDerWaalsContact C-N 3.28Å; L1705-R1707 PolarHBondContact O-N 3.21Å; L1705-A1708 PolarHBondContact O-N 3.37Å; L1705-A1708 VanDerWaalsContact O-N 3.07Å; L1705-L1709 HydrophobicContact CD1-CD1 4.2Å; L1705-L1709 HydrophobicContact CD1-CD2 4.41Å; L1705-L1709 HydrophobicContact CD1-CG 4.24Å; L1705-L1709 HydrophobicContact CD2-CD1 4.49Å; L1705-L1709 HydrophobicContact CG-CD1 3.86Å; L1705-L1709 HydrophobicContact CG-CG 4.22Å; L1705-L1709 VanDerWaalsContact O-CG 3.28Å; L1705-L1709 WeakPolarHBondContact O-CG 3.42Å; L1705-L1709 PolarHBondContact O-N 2.83Å |
| 1706 | Y | 92.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.7 | -39.8 | -176.9 | -168.2 | -98.9 | 0 | 0 | 0 | 112.8 | L1460 A1524 G1702 Q1703 A1708 L1709 S1710 | L1460-Y1706 HydrophobicContact CD2-CD2 3.63Å; L1460-Y1706 HydrophobicContact CD2-CG 4.06Å; A1524-Y1706 HydrophobicContact CB-CD2 3.83Å; A1524-Y1706 HydrophobicContact CB-CE2 3.63Å; G1702-Y1706 VanDerWaalsContact O-CB 3.29Å; G1702-Y1706 WeakPolarHBondContact O-CB 3.39Å; G1702-Y1706 PolarHBondContact O-N 2.95Å; Q1703-Y1706 PolarHBondContact O-N 3.25Å; Y1706-A1708 PolarHBondContact O-N 2.9Å; Y1706-L1709 PolarHBondContact O-N 3.23Å; Y1706-S1710 VanDerWaalsContact O-CB 3.28Å; Y1706-S1710 WeakPolarHBondContact O-CB 3.37Å; Y1706-S1710 PolarHBondContact O-N 2.94Å; Y1706-S1710 PolarHBondContact O-OG 3.35Å |
| 1707 | R | 91.2 | Very high | 92.1 | Very high | 173 Ų | 173 | 44 Ų | 44 | 65% | 0.653 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.2 | -46.7 | 177.1 | -177.7 | -179.6 | 178.5 | -175.7 | -0.6 | 111.6 | Q1703 L1705 S1710 | Q1703-R1707 WeakPolarHBondContact O-CB 3.44Å; Q1703-R1707 PolarHBondContact O-N 3.3Å; L1705-R1707 VanDerWaalsContact C-N 3.28Å; L1705-R1707 PolarHBondContact O-N 3.21Å; R1707-S1710 PolarHBondContact O-OG 3.42Å |
| 1708 | A | 89.7 | Confident | 92.1 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.9 | -44.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1704 L1705 Y1706 S1710 L1711 L1723 I1724 | T1704-A1708 PolarHBondContact O-N 3.01Å; L1705-A1708 PolarHBondContact O-N 3.37Å; L1705-A1708 VanDerWaalsContact O-N 3.07Å; Y1706-A1708 PolarHBondContact O-N 2.9Å; A1708-S1710 VanDerWaalsContact C-N 3.26Å; A1708-S1710 PolarHBondContact O-N 3.32Å; A1708-L1711 PolarHBondContact O-N 2.89Å; A1708-L1723 HydrophobicContact CB-CB 4.24Å; A1708-I1724 HydrophobicContact CB-CD1 3.62Å; A1708-I1724 HydrophobicContact CB-CG1 3.26Å |
| 1709 | L | 93.4 | Very high | 92 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -36.7 | 178.1 | -61.8 | -174.4 | 0 | 0 | 0 | 112.2 | Y1521 A1524 I1544 L1705 Y1706 L1711 G1712 | Y1521-L1709 HydrophobicContact CD1-CD2 3.68Å; Y1521-L1709 HydrophobicContact CD2-CB 3.73Å; Y1521-L1709 HydrophobicContact CD2-CD1 4.49Å; Y1521-L1709 HydrophobicContact CD2-CD2 3.63Å; Y1521-L1709 HydrophobicContact CD2-CG 4.13Å; Y1521-L1709 HydrophobicContact CE1-CD2 3.55Å; Y1521-L1709 HydrophobicContact CE2-CB 3.86Å; Y1521-L1709 HydrophobicContact CE2-CD2 3.52Å; Y1521-L1709 HydrophobicContact CE2-CG 4.26Å; Y1521-L1709 WeakPolarHBondContact CE2-O 3.45Å; Y1521-L1709 HydrophobicContact CG-CB 4.43Å; Y1521-L1709 HydrophobicContact CG-CD1 4.39Å; Y1521-L1709 HydrophobicContact CG-CD2 3.71Å; Y1521-L1709 HydrophobicContact CG-CG 4.38Å; Y1521-L1709 VanDerWaalsContact CZ-CD2 3.46Å; A1524-L1709 HydrophobicContact CB-CB 3.57Å; I1544-L1709 HydrophobicContact CD1-CD2 3.78Å; I1544-L1709 HydrophobicContact CG1-CD2 3.85Å; I1544-L1709 HydrophobicContact CG2-CD2 4.31Å; L1705-L1709 HydrophobicContact CD1-CD1 4.2Å; L1705-L1709 HydrophobicContact CD1-CD2 4.41Å; L1705-L1709 HydrophobicContact CD1-CG 4.24Å; L1705-L1709 HydrophobicContact CD2-CD1 4.49Å; L1705-L1709 HydrophobicContact CG-CD1 3.86Å; L1705-L1709 HydrophobicContact CG-CG 4.22Å; L1705-L1709 VanDerWaalsContact O-CG 3.28Å; L1705-L1709 WeakPolarHBondContact O-CG 3.42Å; L1705-L1709 PolarHBondContact O-N 2.83Å; Y1706-L1709 PolarHBondContact O-N 3.23Å; L1709-L1711 PolarHBondContact O-N 3.41Å; L1709-G1712 PolarHBondContact O-N 3.02Å |
| 1710 | S | 93.2 | Very high | 91.9 | Very high | 31 Ų | 31 | 39 Ų | 39 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.2 | -177 | 72.9 | 0 | 0 | 0 | 0 | 115 | A1524 Q1528 Y1706 R1707 A1708 | A1524-S1710 VanDerWaalsContact O-CA 3.31Å; A1524-S1710 WeakPolarHBondContact O-CA 3.22Å; A1524-S1710 WeakPolarHBondContact O-CB 3.5Å; Q1528-S1710 WeakPolarHBondContact CG-O 3.34Å; Q1528-S1710 PolarHBondContact NE2-O 2.71Å; Y1706-S1710 VanDerWaalsContact O-CB 3.28Å; Y1706-S1710 WeakPolarHBondContact O-CB 3.37Å; Y1706-S1710 PolarHBondContact O-N 2.94Å; Y1706-S1710 PolarHBondContact O-OG 3.35Å; R1707-S1710 PolarHBondContact O-OG 3.42Å; A1708-S1710 VanDerWaalsContact C-N 3.26Å; A1708-S1710 PolarHBondContact O-N 3.32Å |
| 1711 | L | 92.1 | Very high | 92 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 22% | 0.22 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -20 | 178.3 | -60.4 | 174.2 | 0 | 0 | 0 | 112.3 | A1708 L1709 S1713 S1714 I1715 L1723 | A1708-L1711 PolarHBondContact O-N 2.89Å; L1709-L1711 PolarHBondContact O-N 3.41Å; L1711-S1713 PolarHBondContact O-N 3.5Å; L1711-S1714 WeakPolarHBondContact O-CB 3.25Å; L1711-S1714 PolarHBondContact O-N 3.16Å; L1711-S1714 PolarHBondContact O-OG 3.46Å; L1711-I1715 HydrophobicContact CB-CD1 4.44Å; L1711-I1715 HydrophobicContact CB-CG1 4.22Å; L1711-I1715 HydrophobicContact CD1-CD1 3.51Å; L1711-I1715 HydrophobicContact CD1-CG1 4.13Å; L1711-L1723 HydrophobicContact CD1-CD1 3.21Å |
| 1712 | G | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -126.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1532 E1534 L1709 | F1532-G1712 WeakPolarHBondContact O-CA 3.31Å; E1534-G1712 CarbonylContact O-C 3.52Å; E1534-G1712 VanDerWaalsContact O-CA 3.26Å; E1534-G1712 WeakPolarHBondContact O-CA 3.46Å; L1709-G1712 PolarHBondContact O-N 3.02Å |
| 1713 | S | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 16.7 | 176.2 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | R1238 R1242 K1531 F1532 E1534 L1711 I1715 | R1238-S1713 PolarHBondContact NE-O 3.02Å; R1238-S1713 PolarHBondContact NH2-O 3.5Å; R1242-S1713 PolarHBondContact NH1-OG 3.49Å; K1531-S1713 PolarHBondContact O-OG 3.08Å; F1532-S1713 VanDerWaalsContact CA-OG 3.29Å; F1532-S1713 WeakPolarHBondContact CA-OG 3.06Å; F1532-S1713 PolarHBondContact O-N 3.41Å; F1532-S1713 PolarHBondContact O-OG 3.33Å; E1534-S1713 VanDerWaalsContact CG-OG 3.3Å; E1534-S1713 WeakPolarHBondContact CG-OG 3.5Å; E1534-S1713 PolarHBondContact O-N 3.03Å; L1711-S1713 PolarHBondContact O-N 3.5Å; S1713-I1715 PolarHBondContact O-N 3.32Å |
| 1714 | S | 93.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -67.2 | -12.6 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 114.5 | R1238 L1711 | R1238-S1714 VanDerWaalsContact CD-O 3.26Å; R1238-S1714 WeakPolarHBondContact CD-O 3.11Å; L1711-S1714 WeakPolarHBondContact O-CB 3.25Å; L1711-S1714 PolarHBondContact O-N 3.16Å; L1711-S1714 PolarHBondContact O-OG 3.46Å |
| 1715 | I | 91.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.205 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -126.8 | 158.2 | 171 | 59.8 | 164.5 | 0 | 0 | 0 | 110 | R1238 L1711 S1713 D1719 A1720 L1723 | R1238-I1715 PolarHBondContact NH2-O 3.31Å; R1238-I1715 VanDerWaalsContact NH2-O 3.16Å; L1711-I1715 HydrophobicContact CB-CD1 4.44Å; L1711-I1715 HydrophobicContact CB-CG1 4.22Å; L1711-I1715 HydrophobicContact CD1-CD1 3.51Å; L1711-I1715 HydrophobicContact CD1-CG1 4.13Å; S1713-I1715 PolarHBondContact O-N 3.32Å; I1715-D1719 HydrophobicContact CD1-CB 4.02Å; I1715-A1720 HydrophobicContact CD1-CB 3.91Å; I1715-A1720 HydrophobicContact CG1-CB 4.18Å; I1715-L1723 HydrophobicContact CD1-CD1 3.75Å |
| 1716 | P | 90.4 | Very high | 91.7 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | trans | -57.7 | 146.4 | 171.9 | -23.7 | 35.3 | 0 | 0 | 0 | 112.2 | D1719 A1720 | P1716-D1719 PolarHBondContact O-N 3.42Å; P1716-D1719 VanDerWaalsContact O-N 3.12Å; P1716-A1720 PolarHBondContact O-N 3.23Å; P1716-A1720 VanDerWaalsContact O-N 3.13Å | ||
| 1717 | W | 91.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.038 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -34.5 | -178.6 | 77.3 | -97.7 | 0 | 0 | 0 | 115.3 | Y1357 A1536 N1537 F1540 D1719 A1720 L1721 V1730 | Y1357-W1717 PolarHBondContact O-NE1 3.49Å; A1536-W1717 HydrophobicContact CB-CB 3.94Å; N1537-W1717 HydrophobicContact CB-CB 4.29Å; F1540-W1717 HydrophobicContact CE2-CB 3.87Å; F1540-W1717 HydrophobicContact CE2-CE3 4.47Å; F1540-W1717 HydrophobicContact CZ-CB 4.37Å; W1717-D1719 VanDerWaalsContact C-N 3.26Å; W1717-D1719 PolarHBondContact O-N 3.44Å; W1717-A1720 PolarHBondContact O-N 3.34Å; W1717-L1721 HydrophobicContact CZ3-CD2 4.17Å; W1717-L1721 PolarHBondContact O-N 2.92Å; W1717-V1730 HydrophobicContact CH2-CG2 4.14Å; W1717-V1730 HydrophobicContact CZ3-CG2 3.85Å |
| 1718 | P | 91.5 | Very high | 91.4 | Very high | 32 Ų | 32 | 34 Ų | 34 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -35.5 | 177.6 | -22.4 | 35.7 | 0 | 0 | 0 | 111.6 | R1722 D1728 | P1718-R1722 WeakPolarHBondContact O-CB 3.47Å; P1718-R1722 PolarHBondContact O-N 3.11Å; P1718-D1728 HydrophobicContact CB-CB 3.86Å; P1718-D1728 WeakPolarHBondContact CB-O 3.05Å |
| 1719 | D | 90.5 | Very high | 91.4 | Very high | 63 Ų | 63 | 43 Ų | 43 | 34% | 0.337 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -74.7 | -36 | 178.1 | -63.7 | -31.9 | 0 | 0 | 0 | 111.5 | I1715 P1716 W1717 L1721 R1722 L1723 | I1715-D1719 HydrophobicContact CD1-CB 4.02Å; P1716-D1719 PolarHBondContact O-N 3.42Å; P1716-D1719 VanDerWaalsContact O-N 3.12Å; W1717-D1719 VanDerWaalsContact C-N 3.26Å; W1717-D1719 PolarHBondContact O-N 3.44Å; D1719-L1721 VanDerWaalsContact C-N 3.35Å; D1719-R1722 WeakPolarHBondContact O-CB 3.47Å; D1719-R1722 PolarHBondContact O-N 3.19Å; D1719-R1722 IonicContact OD1-CZ 3.67Å; D1719-R1722 IonicContact OD1-NE 3.84Å; D1719-R1722 PolarHBondContact OD1-NE 3.31Å; D1719-R1722 IonicContact OD1-NH2 2.73Å; D1719-R1722 PolarHBondContact OD1-NH2 3.08Å; D1719-L1723 WeakPolarHBondContact O-CG 3.42Å; D1719-L1723 PolarHBondContact O-N 3.35Å; D1719-L1723 VanDerWaalsContact O-N 3.08Å |
| 1720 | A | 91.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1536 F1540 I1715 P1716 W1717 L1723 | A1536-A1720 HydrophobicContact CB-CB 3.62Å; F1540-A1720 HydrophobicContact CE1-CB 3.88Å; F1540-A1720 HydrophobicContact CZ-CB 3.99Å; I1715-A1720 HydrophobicContact CD1-CB 3.91Å; I1715-A1720 HydrophobicContact CG1-CB 4.18Å; P1716-A1720 PolarHBondContact O-N 3.23Å; P1716-A1720 VanDerWaalsContact O-N 3.13Å; W1717-A1720 PolarHBondContact O-N 3.34Å; A1720-L1723 PolarHBondContact O-N 2.99Å |
| 1721 | L | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.5 | -171.2 | 62.9 | 0 | 0 | 0 | 111 | F1540 I1676 W1717 D1719 L1723 I1724 T1725 S1727 | F1540-L1721 HydrophobicContact CZ-CB 4.04Å; I1676-L1721 HydrophobicContact CG1-CD1 4.34Å; W1717-L1721 HydrophobicContact CZ3-CD2 4.17Å; W1717-L1721 PolarHBondContact O-N 2.92Å; D1719-L1721 VanDerWaalsContact C-N 3.35Å; L1721-L1723 VanDerWaalsContact C-N 3.26Å; L1721-L1723 PolarHBondContact O-N 3.46Å; L1721-I1724 PolarHBondContact O-N 3.11Å; L1721-T1725 HydrophobicContact CD1-CG2 3.74Å; L1721-T1725 HydrophobicContact CG-CG2 4.29Å; L1721-T1725 PolarHBondContact O-N 2.91Å; L1721-T1725 PolarHBondContact O-OG1 2.93Å; L1721-T1725 VanDerWaalsContact O-OG1 3.04Å; L1721-S1727 CarbonylContact C-O 3.44Å; L1721-S1727 VanDerWaalsContact C-O 3.29Å; L1721-S1727 WeakPolarHBondContact CG-O 3.26Å |
| 1722 | R | 92.8 | Very high | 91.5 | Very high | 99 Ų | 99 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.8 | -35.7 | 179.2 | -161 | -165.9 | -44.3 | -94.6 | -1.2 | 112.3 | P1718 D1719 I1724 N1726 S1727 D1728 | P1718-R1722 WeakPolarHBondContact O-CB 3.47Å; P1718-R1722 PolarHBondContact O-N 3.11Å; D1719-R1722 WeakPolarHBondContact O-CB 3.47Å; D1719-R1722 PolarHBondContact O-N 3.19Å; D1719-R1722 IonicContact OD1-CZ 3.67Å; D1719-R1722 IonicContact OD1-NE 3.84Å; D1719-R1722 PolarHBondContact OD1-NE 3.31Å; D1719-R1722 IonicContact OD1-NH2 2.73Å; D1719-R1722 PolarHBondContact OD1-NH2 3.08Å; R1722-I1724 PolarHBondContact O-N 3.26Å; R1722-N1726 WeakPolarHBondContact O-CA 3.23Å; R1722-N1726 PolarHBondContact O-N 3Å; R1722-S1727 WeakPolarHBondContact CA-O 3.35Å; R1722-S1727 PolarHBondContact N-O 2.71Å; R1722-D1728 VanDerWaalsContact CZ-CB 3.48Å; R1722-D1728 IonicContact CZ-OD2 2.68Å; R1722-D1728 VanDerWaalsContact CZ-OD2 3.28Å; R1722-D1728 VanDerWaalsContact NH1-CG 3.33Å; R1722-D1728 IonicContact NH1-OD2 3.38Å; R1722-D1728 PolarHBondContact NH1-OD2 3.04Å; R1722-D1728 VanDerWaalsContact NH2-CB 3.33Å; R1722-D1728 IonicContact NH2-OD2 3.32Å; R1722-D1728 PolarHBondContact NH2-OD2 3.47Å |
| 1723 | L | 91.5 | Very high | 91.6 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.335 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.8 | -26.3 | 177.1 | -73.2 | 171.3 | 0 | 0 | 0 | 113.7 | A1708 L1711 I1715 D1719 A1720 L1721 | A1708-L1723 HydrophobicContact CB-CB 4.24Å; L1711-L1723 HydrophobicContact CD1-CD1 3.21Å; I1715-L1723 HydrophobicContact CD1-CD1 3.75Å; D1719-L1723 WeakPolarHBondContact O-CG 3.42Å; D1719-L1723 PolarHBondContact O-N 3.35Å; D1719-L1723 VanDerWaalsContact O-N 3.08Å; A1720-L1723 PolarHBondContact O-N 2.99Å; L1721-L1723 VanDerWaalsContact C-N 3.26Å; L1721-L1723 PolarHBondContact O-N 3.46Å |
| 1724 | I | 91.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -94.1 | -51.3 | 178.5 | -55.6 | 174.2 | 0 | 0 | 0 | 109.9 | I1544 I1676 A1679 A1708 L1721 R1722 | I1544-I1724 HydrophobicContact CD1-CD1 4.05Å; I1676-I1724 HydrophobicContact CG1-CG2 4.38Å; I1676-I1724 HydrophobicContact CG2-CG2 4.18Å; A1679-I1724 HydrophobicContact CB-CG2 4.21Å; A1679-I1724 WeakPolarHBondContact CB-O 3.22Å; A1708-I1724 HydrophobicContact CB-CD1 3.62Å; A1708-I1724 HydrophobicContact CB-CG1 3.26Å; L1721-I1724 PolarHBondContact O-N 3.11Å; R1722-I1724 PolarHBondContact O-N 3.26Å |
| 1725 | T | 91.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 48 Ų | 48 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -105.9 | -6.1 | -163.5 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | Q1675 I1676 A1679 L1721 S1727 | Q1675-T1725 HydrophobicContact CG-CG2 4Å; I1676-T1725 HydrophobicContact CG1-CG2 4.23Å; A1679-T1725 HydrophobicContact CB-CG2 4Å; L1721-T1725 HydrophobicContact CD1-CG2 3.74Å; L1721-T1725 HydrophobicContact CG-CG2 4.29Å; L1721-T1725 PolarHBondContact O-N 2.91Å; L1721-T1725 PolarHBondContact O-OG1 2.93Å; L1721-T1725 VanDerWaalsContact O-OG1 3.04Å; T1725-S1727 PolarHBondContact O-N 2.88Å; T1725-S1727 WeakPolarHBondContact OG1-CB 3.35Å; T1725-S1727 PolarHBondContact OG1-N 3.02Å; T1725-S1727 VanDerWaalsContact OG1-N 3.11Å; T1725-S1727 PolarHBondContact OG1-O 3.27Å |
| 1726 | N | 88 | Confident | 92.1 | Very high | 143 Ų | 143 | 48.1 Ų | 48.1 | 77% | 0.765 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 58 | 14 | -165.6 | -66.1 | -32.7 | 0 | 0 | 0 | 114.5 | R1722 | R1722-N1726 WeakPolarHBondContact O-CA 3.23Å; R1722-N1726 PolarHBondContact O-N 3Å |
| 1727 | S | 88.5 | Confident | 92.2 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | trans | -122.2 | 143.8 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | L1721 R1722 T1725 R1729 | L1721-S1727 CarbonylContact C-O 3.44Å; L1721-S1727 VanDerWaalsContact C-O 3.29Å; L1721-S1727 WeakPolarHBondContact CG-O 3.26Å; R1722-S1727 WeakPolarHBondContact CA-O 3.35Å; R1722-S1727 PolarHBondContact N-O 2.71Å; T1725-S1727 PolarHBondContact O-N 2.88Å; T1725-S1727 WeakPolarHBondContact OG1-CB 3.35Å; T1725-S1727 PolarHBondContact OG1-N 3.02Å; T1725-S1727 VanDerWaalsContact OG1-N 3.11Å; T1725-S1727 PolarHBondContact OG1-O 3.27Å; S1727-R1729 PolarHBondContact OG-N 3.33Å; S1727-R1729 PolarHBondContact OG-O 3.5Å | ||
| 1728 | D | 88.4 | Confident | 92.4 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 31% | 0.31 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -103.6 | 8.8 | 176 | 59.3 | -1.5 | 0 | 0 | 0 | 113.2 | P1718 R1722 | P1718-D1728 HydrophobicContact CB-CB 3.86Å; P1718-D1728 WeakPolarHBondContact CB-O 3.05Å; R1722-D1728 VanDerWaalsContact CZ-CB 3.48Å; R1722-D1728 IonicContact CZ-OD2 2.68Å; R1722-D1728 VanDerWaalsContact CZ-OD2 3.28Å; R1722-D1728 VanDerWaalsContact NH1-CG 3.33Å; R1722-D1728 IonicContact NH1-OD2 3.38Å; R1722-D1728 PolarHBondContact NH1-OD2 3.04Å; R1722-D1728 VanDerWaalsContact NH2-CB 3.33Å; R1722-D1728 IonicContact NH2-OD2 3.32Å; R1722-D1728 PolarHBondContact NH2-OD2 3.47Å |
| 1729 | R | 90.4 | Very high | 92.5 | Very high | 193 Ų | 193 | 46.1 Ų | 46.1 | 73% | 0.728 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -123 | 140.9 | 178.3 | -62.4 | -177.1 | -176.3 | -170 | -1.8 | 110.4 | Q1675 S1727 S1731 | Q1675-R1729 PolarHBondContact NE2-O 3.3Å; Q1675-R1729 PolarHBondContact OE1-O 2.78Å; S1727-R1729 PolarHBondContact OG-N 3.33Å; S1727-R1729 PolarHBondContact OG-O 3.5Å; R1729-S1731 PolarHBondContact O-N 2.85Å |
| 1730 | V | 92.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -67.6 | 131.4 | 169.4 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | L1369 F1668 I1671 M1672 W1717 | L1369-V1730 HydrophobicContact CD1-CB 4.23Å; L1369-V1730 HydrophobicContact CD1-CG1 3.79Å; L1369-V1730 HydrophobicContact CD2-CG1 4.15Å; F1668-V1730 HydrophobicContact CD1-CG1 4.33Å; F1668-V1730 HydrophobicContact CD1-CG2 4.35Å; I1671-V1730 HydrophobicContact CB-CG1 4.38Å; I1671-V1730 HydrophobicContact CG2-CG1 3.7Å; M1672-V1730 HydrophobicContact CG-CB 4.29Å; M1672-V1730 HydrophobicContact CG-CG1 3.66Å; M1672-V1730 HydrophobicContact CG-CG2 3.8Å; M1672-V1730 HydrophobicContact SD-CG2 3.68Å; W1717-V1730 HydrophobicContact CH2-CG2 4.14Å; W1717-V1730 HydrophobicContact CZ3-CG2 3.85Å | ||
| 1731 | S | 94 | Very high | 92.5 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | trans | -130.9 | 133 | 179.4 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | I1671 Q1675 R1729 K1733 P1734 | I1671-S1731 WeakPolarHBondContact CG2-O 3.47Å; Q1675-S1731 VanDerWaalsContact OE1-N 3.13Å; R1729-S1731 PolarHBondContact O-N 2.85Å; S1731-K1733 VanDerWaalsContact C-N 3.33Å; S1731-K1733 WeakPolarHBondContact OG-CB 3.3Å; S1731-K1733 PolarHBondContact OG-N 3.23Å; S1731-P1734 WeakPolarHBondContact O-CD 3.49Å | ||
| 1732 | A | 94.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -82 | -9.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1369 T1372 I1373 I1671 M1735 L1736 | L1369-A1732 HydrophobicContact CD2-CB 4.44Å; T1372-A1732 HydrophobicContact CG2-CB 4.06Å; I1373-A1732 HydrophobicContact CD1-CB 3.86Å; I1373-A1732 HydrophobicContact CG1-CB 3.64Å; I1671-A1732 HydrophobicContact CG2-CB 4.15Å; A1732-M1735 WeakPolarHBondContact O-CB 3.41Å; A1732-M1735 PolarHBondContact O-N 3.42Å; A1732-L1736 PolarHBondContact O-N 2.96Å; A1732-L1736 VanDerWaalsContact O-N 3.1Å |
| 1733 | K | 94 | Very high | 92.4 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 54% | 0.543 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -54.1 | -46.6 | -179.1 | -178.8 | -175 | 173.5 | 64.2 | 0 | 112.8 | S1731 M1735 L1736 D1737 | S1731-K1733 VanDerWaalsContact C-N 3.33Å; S1731-K1733 WeakPolarHBondContact OG-CB 3.3Å; S1731-K1733 PolarHBondContact OG-N 3.23Å; K1733-M1735 PolarHBondContact O-N 3.23Å; K1733-L1736 PolarHBondContact O-N 3.41Å; K1733-D1737 IonicContact NZ-OD1 3.1Å; K1733-D1737 VanDerWaalsContact O-CG 3.23Å; K1733-D1737 PolarHBondContact O-N 2.79Å |
| 1734 | P | 95.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -27.2 | 179.6 | -24.5 | 38.2 | 0 | 0 | 0 | 113.8 | F1674 Q1675 Q1678 S1731 Y1738 | F1674-P1734 HydrophobicContact CB-CB 4.07Å; Q1675-P1734 HydrophobicContact CB-CG 4Å; Q1675-P1734 HydrophobicContact CG-CG 4.12Å; Q1678-P1734 HydrophobicContact CB-CB 4.2Å; Q1678-P1734 VanDerWaalsContact OE1-CG 3.31Å; S1731-P1734 WeakPolarHBondContact O-CD 3.49Å; P1734-Y1738 WeakPolarHBondContact O-CB 3.26Å; P1734-Y1738 PolarHBondContact O-N 2.82Å |
| 1735 | M | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.6 | -44.3 | 172.3 | 177.7 | -172.4 | 166.7 | 0 | 0 | 110.8 | I1373 F1376 I1597 V1598 L1601 F1674 A1732 K1733 Y1738 F1739 | I1373-M1735 HydrophobicContact CD1-SD 4.31Å; I1373-M1735 HydrophobicContact CG2-CE 4.43Å; F1376-M1735 HydrophobicContact CD1-CE 4.3Å; F1376-M1735 HydrophobicContact CE1-CE 4.13Å; I1597-M1735 HydrophobicContact CG2-CE 4.43Å; V1598-M1735 HydrophobicContact CG2-CE 3.69Å; L1601-M1735 HydrophobicContact CD1-CE 3.5Å; L1601-M1735 VanDerWaalsContact CD1-CE 3.5Å; L1601-M1735 HydrophobicContact CD1-SD 3.73Å; F1674-M1735 HydrophobicContact CB-CB 3.98Å; F1674-M1735 HydrophobicContact CD1-CB 4.34Å; F1674-M1735 HydrophobicContact CD2-CB 3.54Å; F1674-M1735 HydrophobicContact CD2-CG 3.67Å; F1674-M1735 HydrophobicContact CD2-SD 4.35Å; F1674-M1735 HydrophobicContact CE1-CG 4.49Å; F1674-M1735 HydrophobicContact CE2-CB 4.06Å; F1674-M1735 HydrophobicContact CE2-CG 3.63Å; F1674-M1735 HydrophobicContact CE2-SD 4.13Å; F1674-M1735 HydrophobicContact CG-CB 3.7Å; F1674-M1735 HydrophobicContact CG-CG 4.14Å; F1674-M1735 HydrophobicContact CZ-CG 4.06Å; A1732-M1735 WeakPolarHBondContact O-CB 3.41Å; A1732-M1735 PolarHBondContact O-N 3.42Å; K1733-M1735 PolarHBondContact O-N 3.23Å; M1735-Y1738 WeakPolarHBondContact O-CB 3.48Å; M1735-Y1738 PolarHBondContact O-N 3.44Å; M1735-F1739 HydrophobicContact CE-CD2 4.3Å; M1735-F1739 HydrophobicContact CE-CE2 4.09Å; M1735-F1739 HydrophobicContact CG-CD2 4.01Å; M1735-F1739 HydrophobicContact CG-CE2 4.08Å; M1735-F1739 VanDerWaalsContact O-CD2 3.29Å; M1735-F1739 WeakPolarHBondContact O-CD2 3.28Å; M1735-F1739 PolarHBondContact O-N 2.96Å; M1735-F1739 VanDerWaalsContact O-N 3.15Å |
| 1736 | L | 95.2 | Very high | 92 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 176.3 | -62.4 | 175.9 | 0 | 0 | 0 | 111.2 | T1372 F1376 A1732 K1733 Y1738 F1739 E1740 I1743 | T1372-L1736 HydrophobicContact CG2-CD1 4.15Å; F1376-L1736 HydrophobicContact CB-CD2 3.95Å; F1376-L1736 HydrophobicContact CD1-CD2 4.16Å; F1376-L1736 HydrophobicContact CG-CD2 4.43Å; A1732-L1736 PolarHBondContact O-N 2.96Å; A1732-L1736 VanDerWaalsContact O-N 3.1Å; K1733-L1736 PolarHBondContact O-N 3.41Å; L1736-Y1738 VanDerWaalsContact C-N 3.28Å; L1736-Y1738 PolarHBondContact O-N 2.89Å; L1736-F1739 CarbonylContact O-C 3.27Å; L1736-F1739 PolarHBondContact O-N 3.41Å; L1736-E1740 WeakPolarHBondContact O-CA 3.37Å; L1736-E1740 PolarHBondContact O-N 3.12Å; L1736-I1743 HydrophobicContact CD2-CD1 4.21Å |
| 1737 | D | 92.6 | Very high | 92 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -33.9 | 174.9 | -60.9 | -13.8 | 0 | 0 | 0 | 111.3 | K1733 | K1733-D1737 IonicContact NZ-OD1 3.1Å; K1733-D1737 VanDerWaalsContact O-CG 3.23Å; K1733-D1737 PolarHBondContact O-N 2.79Å |
| 1738 | Y | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.1 | -175.6 | -82.4 | 0 | 0 | 0 | 112.3 | L1550 Y1589 L1590 F1674 Y1677 L1690 H1691 P1734 M1735 L1736 | L1550-Y1738 HydrophobicContact CD2-CE2 4.33Å; Y1589-Y1738 VanDerWaalsContact CE1-OH 3.29Å; Y1589-Y1738 WeakPolarHBondContact CE1-OH 3.35Å; Y1589-Y1738 PolarHBondContact OH-OH 3.25Å; L1590-Y1738 HydrophobicContact CD2-CD1 4Å; L1590-Y1738 HydrophobicContact CD2-CE1 3.66Å; F1674-Y1738 HydrophobicContact CD1-CD1 4.39Å; F1674-Y1738 AromaticContact CD1-CD2 3.9Å; F1674-Y1738 HydrophobicContact CD1-CD2 3.9Å; F1674-Y1738 AromaticContact CD1-CG 3.8Å; F1674-Y1738 HydrophobicContact CD1-CG 3.8Å; F1674-Y1738 AromaticContact CE1-CD1 3.74Å; F1674-Y1738 HydrophobicContact CE1-CD1 3.74Å; F1674-Y1738 AromaticContact CE1-CD2 3.9Å; F1674-Y1738 HydrophobicContact CE1-CD2 3.9Å; F1674-Y1738 HydrophobicContact CE1-CE1 4.15Å; F1674-Y1738 HydrophobicContact CE1-CE2 4.28Å; F1674-Y1738 AromaticContact CE1-CG 3.62Å; F1674-Y1738 HydrophobicContact CE1-CG 3.62Å; Y1677-Y1738 HydrophobicContact CE1-CE2 4.21Å; L1690-Y1738 HydrophobicContact CB-CD2 4.09Å; L1690-Y1738 HydrophobicContact CD2-CD2 4.12Å; L1690-Y1738 HydrophobicContact CG-CD2 3.89Å; H1691-Y1738 HydrophobicContact CB-CD1 4.27Å; H1691-Y1738 HydrophobicContact CB-CD2 3.99Å; H1691-Y1738 HydrophobicContact CB-CE1 3.89Å; H1691-Y1738 HydrophobicContact CB-CE2 3.61Å; H1691-Y1738 HydrophobicContact CB-CG 4.31Å; P1734-Y1738 WeakPolarHBondContact O-CB 3.26Å; P1734-Y1738 PolarHBondContact O-N 2.82Å; M1735-Y1738 WeakPolarHBondContact O-CB 3.48Å; M1735-Y1738 PolarHBondContact O-N 3.44Å; L1736-Y1738 VanDerWaalsContact C-N 3.28Å; L1736-Y1738 PolarHBondContact O-N 2.89Å |
| 1739 | F | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -94.4 | 0.6 | -177.8 | -69.7 | -68.7 | 0 | 0 | 0 | 114.1 | F1376 L1590 K1593 A1594 I1597 F1674 M1735 L1736 P1741 L1742 I1743 | F1376-F1739 HydrophobicContact CE1-CB 3.79Å; F1376-F1739 HydrophobicContact CE1-CD1 4.5Å; F1376-F1739 AromaticContact CE1-CD2 3.6Å; F1376-F1739 HydrophobicContact CE1-CD2 3.6Å; F1376-F1739 HydrophobicContact CE1-CE2 4.3Å; F1376-F1739 AromaticContact CE1-CG 3.72Å; F1376-F1739 HydrophobicContact CE1-CG 3.72Å; F1376-F1739 HydrophobicContact CE2-CB 4.49Å; F1376-F1739 HydrophobicContact CZ-CB 3.69Å; F1376-F1739 HydrophobicContact CZ-CD1 4.15Å; F1376-F1739 HydrophobicContact CZ-CD2 4.07Å; F1376-F1739 AromaticContact CZ-CG 3.72Å; F1376-F1739 HydrophobicContact CZ-CG 3.72Å; L1590-F1739 HydrophobicContact CD2-CD1 4.2Å; L1590-F1739 HydrophobicContact CD2-CE1 4.48Å; L1590-F1739 WeakPolarHBondContact O-CE1 3.35Å; K1593-F1739 HydrophobicContact CB-CE1 3.89Å; K1593-F1739 HydrophobicContact CB-CZ 4.13Å; A1594-F1739 HydrophobicContact CB-CD1 4.06Å; A1594-F1739 HydrophobicContact CB-CE1 3.78Å; A1594-F1739 HydrophobicContact CB-CZ 4.37Å; I1597-F1739 HydrophobicContact CD1-CZ 4.45Å; F1674-F1739 HydrophobicContact CE1-CE2 4.04Å; F1674-F1739 AromaticContact CZ-CE2 3.72Å; F1674-F1739 HydrophobicContact CZ-CE2 3.72Å; F1674-F1739 HydrophobicContact CZ-CZ 4.25Å; M1735-F1739 HydrophobicContact CE-CD2 4.3Å; M1735-F1739 HydrophobicContact CE-CE2 4.09Å; M1735-F1739 HydrophobicContact CG-CD2 4.01Å; M1735-F1739 HydrophobicContact CG-CE2 4.08Å; M1735-F1739 VanDerWaalsContact O-CD2 3.29Å; M1735-F1739 WeakPolarHBondContact O-CD2 3.28Å; M1735-F1739 PolarHBondContact O-N 2.96Å; M1735-F1739 VanDerWaalsContact O-N 3.15Å; L1736-F1739 CarbonylContact O-C 3.27Å; L1736-F1739 PolarHBondContact O-N 3.41Å; F1739-P1741 VanDerWaalsContact C-CD 3.41Å; F1739-P1741 VanDerWaalsContact C-N 3.33Å; F1739-P1741 VanDerWaalsContact O-N 3.17Å; F1739-L1742 HydrophobicContact CD1-CD2 4.11Å; F1739-L1742 CarbonylContact O-C 3.59Å; F1739-L1742 WeakPolarHBondContact O-CA 3.3Å; F1739-L1742 WeakPolarHBondContact O-CB 3.25Å; F1739-L1742 PolarHBondContact O-N 3.45Å; F1739-I1743 HydrophobicContact CB-CD1 4.17Å; F1739-I1743 HydrophobicContact CB-CG1 4.29Å; F1739-I1743 WeakPolarHBondContact O-CG1 3.03Å; F1739-I1743 PolarHBondContact O-N 2.86Å |
| 1740 | E | 91.8 | Very high | 91.4 | Very high | 109 Ų | 109 | 35.8 Ų | 35.8 | 51% | 0.509 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -47.7 | -46 | -175.8 | 174.7 | -179.2 | -153.4 | 0 | 0 | 113.7 | L1736 L1742 I1743 N1744 | L1736-E1740 WeakPolarHBondContact O-CA 3.37Å; L1736-E1740 PolarHBondContact O-N 3.12Å; E1740-L1742 VanDerWaalsContact C-N 3.33Å; E1740-L1742 PolarHBondContact O-N 3.43Å; E1740-I1743 PolarHBondContact O-N 3.16Å; E1740-N1744 PolarHBondContact O-N 2.92Å; E1740-N1744 PolarHBondContact O-ND2 2.86Å |
| 1741 | P | 89.8 | Confident | 90.8 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 21% | 0.214 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.3 | -21.9 | 34.5 | 0 | 0 | 0 | 112.8 | M1582 L1590 F1739 W1745 | M1582-P1741 HydrophobicContact CE-CB 3.24Å; M1582-P1741 HydrophobicContact SD-CB 3.63Å; L1590-P1741 HydrophobicContact CD1-CB 4.11Å; L1590-P1741 HydrophobicContact CD1-CG 4.3Å; F1739-P1741 VanDerWaalsContact C-CD 3.41Å; F1739-P1741 VanDerWaalsContact C-N 3.33Å; F1739-P1741 VanDerWaalsContact O-N 3.17Å; P1741-W1745 PolarHBondContact O-N 2.81Å; P1741-W1745 VanDerWaalsContact O-N 3.13Å |
| 1742 | L | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.9 | -40.3 | 176.2 | 176.4 | 70.7 | 0 | 0 | 0 | 111.5 | F1376 L1587 L1590 Y1591 A1594 F1739 E1740 N1744 W1745 L1746 | F1376-L1742 HydrophobicContact CE2-CD2 4.49Å; F1376-L1742 HydrophobicContact CZ-CD2 4.4Å; L1587-L1742 HydrophobicContact CD1-CD1 3.8Å; L1590-L1742 HydrophobicContact CB-CB 3.98Å; L1590-L1742 HydrophobicContact CB-CD2 4.29Å; L1590-L1742 HydrophobicContact CD1-CB 4.31Å; Y1591-L1742 HydrophobicContact CD2-CD1 3.95Å; Y1591-L1742 HydrophobicContact CD2-CD2 4.39Å; Y1591-L1742 HydrophobicContact CG-CD1 4.32Å; A1594-L1742 HydrophobicContact CB-CD2 3.39Å; F1739-L1742 HydrophobicContact CD1-CD2 4.11Å; F1739-L1742 CarbonylContact O-C 3.59Å; F1739-L1742 WeakPolarHBondContact O-CA 3.3Å; F1739-L1742 WeakPolarHBondContact O-CB 3.25Å; F1739-L1742 PolarHBondContact O-N 3.45Å; E1740-L1742 VanDerWaalsContact C-N 3.33Å; E1740-L1742 PolarHBondContact O-N 3.43Å; L1742-N1744 VanDerWaalsContact C-N 3.26Å; L1742-N1744 PolarHBondContact O-N 2.68Å; L1742-W1745 HydrophobicContact CD1-CE3 4.04Å; L1742-W1745 PolarHBondContact O-N 3.45Å; L1742-L1746 HydrophobicContact CD1-CD1 4.16Å; L1742-L1746 HydrophobicContact CD1-CG 4.01Å; L1742-L1746 HydrophobicContact CD2-CD1 4.12Å; L1742-L1746 HydrophobicContact CG-CD1 3.76Å; L1742-L1746 HydrophobicContact CG-CG 4.08Å; L1742-L1746 WeakPolarHBondContact O-CB 3.18Å; L1742-L1746 WeakPolarHBondContact O-CG 3.07Å; L1742-L1746 PolarHBondContact O-N 2.94Å |
| 1743 | I | 91.4 | Very high | 89.6 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 177.5 | -69.3 | 168.1 | 0 | 0 | 0 | 109.7 | F1376 I1379 L1736 F1739 E1740 L1746 K1747 | F1376-I1743 HydrophobicContact CB-CD1 4.21Å; F1376-I1743 HydrophobicContact CB-CG1 4.47Å; F1376-I1743 HydrophobicContact CD1-CD1 4.26Å; F1376-I1743 HydrophobicContact CD2-CD1 3.95Å; F1376-I1743 HydrophobicContact CD2-CG1 3.41Å; F1376-I1743 VanDerWaalsContact CD2-CG1 3.41Å; F1376-I1743 HydrophobicContact CE2-CD1 4.37Å; F1376-I1743 HydrophobicContact CE2-CG1 3.63Å; F1376-I1743 HydrophobicContact CG-CD1 3.89Å; F1376-I1743 HydrophobicContact CG-CG1 3.9Å; F1376-I1743 HydrophobicContact CZ-CG1 4.27Å; I1379-I1743 HydrophobicContact CD1-CG2 4.15Å; L1736-I1743 HydrophobicContact CD2-CD1 4.21Å; F1739-I1743 HydrophobicContact CB-CD1 4.17Å; F1739-I1743 HydrophobicContact CB-CG1 4.29Å; F1739-I1743 WeakPolarHBondContact O-CG1 3.03Å; F1739-I1743 PolarHBondContact O-N 2.86Å; E1740-I1743 PolarHBondContact O-N 3.16Å; I1743-L1746 PolarHBondContact O-N 3.37Å; I1743-K1747 HydrophobicContact CG2-CD 4.3Å; I1743-K1747 WeakPolarHBondContact O-CB 3.4Å; I1743-K1747 VanDerWaalsContact O-CG 3.3Å; I1743-K1747 WeakPolarHBondContact O-CG 3.41Å; I1743-K1747 PolarHBondContact O-N 2.92Å |
| 1744 | N | 88.9 | Confident | 89 | Confident | 86 Ų | 86 | 46.5 Ų | 46.5 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 178 | -67.5 | -24.7 | 0 | 0 | 0 | 112 | E1740 L1742 K1747 A1748 | E1740-N1744 PolarHBondContact O-N 2.92Å; E1740-N1744 PolarHBondContact O-ND2 2.86Å; L1742-N1744 VanDerWaalsContact C-N 3.26Å; L1742-N1744 PolarHBondContact O-N 2.68Å; N1744-K1747 PolarHBondContact O-N 2.95Å; N1744-A1748 PolarHBondContact O-N 3.49Å; N1744-A1748 VanDerWaalsContact O-N 3.16Å |
| 1745 | W | 89 | Confident | 88.2 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.7 | 179.8 | 87.1 | 0 | 0 | 0 | 112.6 | H1383 L1587 P1741 L1742 K1747 A1748 K1749 | H1383-W1745 AromaticContact CE1-CH2 3.96Å; H1383-W1745 AromaticContact NE2-CH2 3.94Å; H1383-W1745 AromaticContact NE2-CZ3 3.94Å; L1587-W1745 HydrophobicContact CD1-CB 3.85Å; L1587-W1745 HydrophobicContact CD1-CD2 3.76Å; L1587-W1745 HydrophobicContact CD1-CE3 4.1Å; L1587-W1745 HydrophobicContact CD1-CG 3.61Å; L1587-W1745 HydrophobicContact CD2-CD2 3.96Å; L1587-W1745 HydrophobicContact CD2-CG 4Å; L1587-W1745 HydrophobicContact CD2-CZ2 4.22Å; L1587-W1745 HydrophobicContact CG-CD2 4.38Å; L1587-W1745 HydrophobicContact CG-CG 4.45Å; P1741-W1745 PolarHBondContact O-N 2.81Å; P1741-W1745 VanDerWaalsContact O-N 3.13Å; L1742-W1745 HydrophobicContact CD1-CE3 4.04Å; L1742-W1745 PolarHBondContact O-N 3.45Å; W1745-K1747 PolarHBondContact O-N 2.84Å; W1745-A1748 PolarHBondContact O-N 3.11Å; W1745-K1749 HydrophobicContact CH2-CG 4.26Å; W1745-K1749 HydrophobicContact CZ2-CD 4.34Å; W1745-K1749 HydrophobicContact CZ2-CG 4.37Å; W1745-K1749 WeakPolarHBondContact O-CB 3.49Å; W1745-K1749 PolarHBondContact O-N 3.09Å |
| 1746 | L | 89.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.9 | -72.7 | 168.8 | 0 | 0 | 0 | 111.4 | F1376 I1379 L1380 H1383 Y1591 L1742 I1743 A1748 K1749 V1750 | F1376-L1746 HydrophobicContact CE2-CD1 4.18Å; I1379-L1746 HydrophobicContact CG2-CB 3.28Å; I1379-L1746 HydrophobicContact CG2-CD1 4.14Å; I1379-L1746 HydrophobicContact CG2-CG 4.32Å; L1380-L1746 HydrophobicContact CB-CD1 4.37Å; L1380-L1746 HydrophobicContact CD1-CD1 3.92Å; H1383-L1746 HydrophobicContact CB-CD2 3.77Å; Y1591-L1746 HydrophobicContact CD2-CD2 4.37Å; Y1591-L1746 HydrophobicContact CE2-CD2 4.07Å; L1742-L1746 HydrophobicContact CD1-CD1 4.16Å; L1742-L1746 HydrophobicContact CD1-CG 4.01Å; L1742-L1746 HydrophobicContact CD2-CD1 4.12Å; L1742-L1746 HydrophobicContact CG-CD1 3.76Å; L1742-L1746 HydrophobicContact CG-CG 4.08Å; L1742-L1746 WeakPolarHBondContact O-CB 3.18Å; L1742-L1746 WeakPolarHBondContact O-CG 3.07Å; L1742-L1746 PolarHBondContact O-N 2.94Å; I1743-L1746 PolarHBondContact O-N 3.37Å; L1746-A1748 PolarHBondContact O-N 2.87Å; L1746-K1749 PolarHBondContact O-N 3.39Å; L1746-K1749 VanDerWaalsContact O-N 3.16Å; L1746-V1750 WeakPolarHBondContact O-CB 3.36Å; L1746-V1750 VanDerWaalsContact O-CG2 3.23Å; L1746-V1750 WeakPolarHBondContact O-CG2 3.11Å; L1746-V1750 PolarHBondContact O-N 3.1Å |
| 1747 | K | 87.2 | Confident | 87.1 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 37% | 0.365 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.9 | -50.7 | 174.2 | -77.5 | 176.4 | 177.8 | -178.1 | 0 | 111.1 | I1379 I1743 N1744 W1745 K1749 V1750 E1751 | I1379-K1747 HydrophobicContact CD1-CD 4.15Å; I1379-K1747 HydrophobicContact CD1-CG 3.68Å; I1379-K1747 HydrophobicContact CG1-CG 4.17Å; I1379-K1747 HydrophobicContact CG2-CG 4.3Å; I1743-K1747 HydrophobicContact CG2-CD 4.3Å; I1743-K1747 WeakPolarHBondContact O-CB 3.4Å; I1743-K1747 VanDerWaalsContact O-CG 3.3Å; I1743-K1747 WeakPolarHBondContact O-CG 3.41Å; I1743-K1747 PolarHBondContact O-N 2.92Å; N1744-K1747 PolarHBondContact O-N 2.95Å; W1745-K1747 PolarHBondContact O-N 2.84Å; K1747-K1749 VanDerWaalsContact C-N 3.27Å; K1747-K1749 PolarHBondContact O-N 3.1Å; K1747-V1750 PolarHBondContact O-N 3.37Å; K1747-E1751 WeakPolarHBondContact O-CB 3.44Å; K1747-E1751 WeakPolarHBondContact O-CG 3.29Å; K1747-E1751 PolarHBondContact O-N 3.48Å |
| 1748 | A | 84.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1577 N1744 W1745 L1746 Q1752 | I1577-A1748 HydrophobicContact CD1-CB 3.84Å; I1577-A1748 HydrophobicContact CG1-CB 4.12Å; I1577-A1748 HydrophobicContact CG2-CB 4.28Å; N1744-A1748 PolarHBondContact O-N 3.49Å; N1744-A1748 VanDerWaalsContact O-N 3.16Å; W1745-A1748 PolarHBondContact O-N 3.11Å; L1746-A1748 PolarHBondContact O-N 2.87Å; A1748-Q1752 VanDerWaalsContact O-CB 3.31Å; A1748-Q1752 WeakPolarHBondContact O-CB 3.44Å; A1748-Q1752 PolarHBondContact O-N 3.45Å |
| 1749 | K | 84.4 | Confident | 86.2 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.4 | -40.1 | 179.9 | -164.5 | 67.7 | -170.8 | 168.4 | 0 | 113.2 | W1745 L1746 K1747 Q1752 N1753 | W1745-K1749 HydrophobicContact CH2-CG 4.26Å; W1745-K1749 HydrophobicContact CZ2-CD 4.34Å; W1745-K1749 HydrophobicContact CZ2-CG 4.37Å; W1745-K1749 WeakPolarHBondContact O-CB 3.49Å; W1745-K1749 PolarHBondContact O-N 3.09Å; L1746-K1749 PolarHBondContact O-N 3.39Å; L1746-K1749 VanDerWaalsContact O-N 3.16Å; K1747-K1749 VanDerWaalsContact C-N 3.27Å; K1747-K1749 PolarHBondContact O-N 3.1Å; K1749-Q1752 PolarHBondContact O-N 3.44Å; K1749-N1753 WeakPolarHBondContact O-CB 3.4Å; K1749-N1753 VanDerWaalsContact O-CG 3.25Å; K1749-N1753 PolarHBondContact O-N 2.72Å; K1749-N1753 VanDerWaalsContact O-N 3.08Å; K1749-N1753 PolarHBondContact O-ND2 2.91Å |
| 1750 | V | 85.1 | Confident | 85 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | A1382 H1383 L1746 K1747 N1753 D1754 E1755 Y1757 | A1382-V1750 HydrophobicContact CB-CG1 3.85Å; A1382-V1750 HydrophobicContact CB-CG2 4.16Å; H1383-V1750 HydrophobicContact CB-CG2 3.83Å; L1746-V1750 WeakPolarHBondContact O-CB 3.36Å; L1746-V1750 VanDerWaalsContact O-CG2 3.23Å; L1746-V1750 WeakPolarHBondContact O-CG2 3.11Å; L1746-V1750 PolarHBondContact O-N 3.1Å; K1747-V1750 PolarHBondContact O-N 3.37Å; V1750-N1753 PolarHBondContact O-N 2.64Å; V1750-D1754 PolarHBondContact O-N 2.88Å; V1750-E1755 HydrophobicContact CG1-CB 3.58Å; V1750-E1755 PolarHBondContact O-N 3.18Å; V1750-Y1757 HydrophobicContact CB-CE1 4.07Å; V1750-Y1757 HydrophobicContact CG1-CD1 4.19Å; V1750-Y1757 HydrophobicContact CG1-CE1 3.46Å; V1750-Y1757 VanDerWaalsContact CG1-CE1 3.46Å; V1750-Y1757 HydrophobicContact CG1-CE2 4.04Å; V1750-Y1757 WeakPolarHBondContact CG1-OH 3.31Å; V1750-Y1757 HydrophobicContact CG2-CE1 4.46Å |
| 1751 | E | 81.1 | Confident | 83.9 | Confident | 139 Ų | 139 | 45.4 Ų | 45.4 | 65% | 0.65 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.6 | -45.4 | 170.4 | -76.9 | 175 | -170.3 | 0 | 0 | 112 | K1747 N1753 D1754 | K1747-E1751 WeakPolarHBondContact O-CB 3.44Å; K1747-E1751 WeakPolarHBondContact O-CG 3.29Å; K1747-E1751 PolarHBondContact O-N 3.48Å; E1751-N1753 VanDerWaalsContact C-N 3.25Å; E1751-N1753 PolarHBondContact O-N 3.15Å; E1751-D1754 PolarHBondContact O-N 3.18Å |
| 1752 | Q | 81.4 | Confident | 82.8 | Confident | 120 Ų | 120 | 49 Ų | 49 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.6 | -38.2 | 176.6 | -179.3 | -178.7 | 30.1 | 0 | 0 | 112.3 | A1748 K1749 D1754 | A1748-Q1752 VanDerWaalsContact O-CB 3.31Å; A1748-Q1752 WeakPolarHBondContact O-CB 3.44Å; A1748-Q1752 PolarHBondContact O-N 3.45Å; K1749-Q1752 PolarHBondContact O-N 3.44Å; Q1752-D1754 VanDerWaalsContact C-N 3.29Å; Q1752-D1754 PolarHBondContact O-N 3.24Å |
| 1753 | N | 81.9 | Confident | 81.8 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 2.4 | -177.1 | -68.4 | -10.8 | 0 | 0 | 0 | 113.3 | H1386 K1749 V1750 E1751 E1755 | H1386-N1753 PolarHBondContact CD2-ND2 3.1Å; H1386-N1753 PolarHBondContact NE2-ND2 2.84Å; H1386-N1753 VanDerWaalsContact NE2-ND2 3.19Å; K1749-N1753 WeakPolarHBondContact O-CB 3.4Å; K1749-N1753 VanDerWaalsContact O-CG 3.25Å; K1749-N1753 PolarHBondContact O-N 2.72Å; K1749-N1753 VanDerWaalsContact O-N 3.08Å; K1749-N1753 PolarHBondContact O-ND2 2.91Å; V1750-N1753 PolarHBondContact O-N 2.64Å; E1751-N1753 VanDerWaalsContact C-N 3.25Å; E1751-N1753 PolarHBondContact O-N 3.15Å; N1753-E1755 HydrophobicContact CB-CG 3.94Å; N1753-E1755 PolarHBondContact O-N 2.84Å |
| 1754 | D | 79.8 | Confident | 80.4 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 39.6 | -175.6 | -167.9 | 31.6 | 0 | 0 | 0 | 113 | V1750 E1751 Q1752 R1777 | V1750-D1754 PolarHBondContact O-N 2.88Å; E1751-D1754 PolarHBondContact O-N 3.18Å; Q1752-D1754 VanDerWaalsContact C-N 3.29Å; Q1752-D1754 PolarHBondContact O-N 3.24Å; D1754-R1777 VanDerWaalsContact O-CZ 3.28Å; D1754-R1777 PolarHBondContact O-NH1 3.21Å; D1754-R1777 PolarHBondContact O-NH2 2.81Å; D1754-R1777 IonicContact OD1-NH2 3.93Å; D1754-R1777 PolarHBondContact OD1-NH2 2.84Å; D1754-R1777 IonicContact OD2-NH2 2.76Å; D1754-R1777 PolarHBondContact OD2-NH2 3.38Å |
| 1755 | E | 79.1 | Confident | 79.3 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 145.6 | -178.9 | -82.2 | -68.9 | 153.4 | 0 | 0 | 111.5 | R1385 H1386 V1750 N1753 | R1385-E1755 IonicContact CZ-OE2 3.05Å; R1385-E1755 IonicContact NE-OE2 2.75Å; R1385-E1755 IonicContact NH2-OE2 3.33Å; R1385-E1755 PolarHBondContact NH2-OE2 2.03Å; H1386-E1755 HydrophobicContact CB-CG 3.73Å; H1386-E1755 WeakPolarHBondContact CB-OE1 3.25Å; H1386-E1755 IonicContact CE1-OE1 3.63Å; H1386-E1755 IonicContact CG-OE1 2.61Å; H1386-E1755 IonicContact ND1-OE1 2.84Å; H1386-E1755 PolarHBondContact ND1-OE1 3.43Å; V1750-E1755 HydrophobicContact CG1-CB 3.58Å; V1750-E1755 PolarHBondContact O-N 3.18Å; N1753-E1755 HydrophobicContact CB-CG 3.94Å; N1753-E1755 PolarHBondContact O-N 2.84Å |
| 1756 | C | 83.3 | Confident | 78.6 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 151.1 | 174.7 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | R1385 P1772 C1774 | R1385-C1756 PolarHBondContact NH2-O 3.22Å; C1756-P1772 CarbonylContact C-O 3.46Å; C1756-P1772 WeakPolarHBondContact CA-O 3.46Å; C1756-P1772 WeakPolarHBondContact CB-O 3.2Å; C1756-C1774 HydrophobicContact CB-CB 3.92Å; C1756-C1774 WeakPolarHBondContact CB-SG 3.5Å; C1756-C1774 PolarHBondContact O-SG 3.29Å; C1756-C1774 WeakPolarHBondContact SG-CA 3.34Å; C1756-C1774 WeakPolarHBondContact SG-CB 3.39Å; C1756-C1774 CovalentContact SG-SG 2.03Å; C1756-C1774 PolarHBondContact SG-SG 3.22Å |
| 1757 | Y | 86.5 | Confident | 77.6 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -94.9 | 147.3 | 179.5 | -60.8 | -88.4 | 0 | 0 | 0 | 112.4 | I1379 A1382 V1750 P1770 E1771 P1772 C1774 | I1379-Y1757 HydrophobicContact CB-CE1 4.3Å; I1379-Y1757 HydrophobicContact CG1-CD1 4.17Å; I1379-Y1757 HydrophobicContact CG1-CE1 3.74Å; A1382-Y1757 HydrophobicContact CB-CD1 4.08Å; A1382-Y1757 HydrophobicContact CB-CE1 4.48Å; V1750-Y1757 HydrophobicContact CB-CE1 4.07Å; V1750-Y1757 HydrophobicContact CG1-CD1 4.19Å; V1750-Y1757 HydrophobicContact CG1-CE1 3.46Å; V1750-Y1757 VanDerWaalsContact CG1-CE1 3.46Å; V1750-Y1757 HydrophobicContact CG1-CE2 4.04Å; V1750-Y1757 WeakPolarHBondContact CG1-OH 3.31Å; V1750-Y1757 HydrophobicContact CG2-CE1 4.46Å; Y1757-P1770 WeakPolarHBondContact CB-O 3.06Å; Y1757-P1770 HydrophobicContact CD1-CB 3.57Å; Y1757-P1770 HydrophobicContact CD1-CG 3.45Å; Y1757-P1770 VanDerWaalsContact CD1-CG 3.45Å; Y1757-P1770 HydrophobicContact CD2-CB 3.76Å; Y1757-P1770 HydrophobicContact CD2-CG 4.26Å; Y1757-P1770 HydrophobicContact CE1-CB 3.71Å; Y1757-P1770 HydrophobicContact CE1-CG 4.04Å; Y1757-P1770 HydrophobicContact CE2-CB 3.93Å; Y1757-P1770 HydrophobicContact CG-CB 3.57Å; Y1757-P1770 HydrophobicContact CG-CG 3.56Å; Y1757-E1771 VanDerWaalsContact CD2-C 3.5Å; Y1757-E1771 WeakPolarHBondContact CE2-O 3.44Å; Y1757-P1772 PolarHBondContact N-O 3.44Å; Y1757-C1774 PolarHBondContact O-N 2.91Å |
| 1758 | G | 83.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 71.8 | -162.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1385 C1774 | R1385-G1758 PolarHBondContact NH1-O 2.87Å; G1758-C1774 PolarHBondContact O-SG 2.79Å |
| 1759 | W | 85.9 | Confident | 76.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | trans | -138.7 | -177.5 | -179 | 49.7 | 88.3 | 0 | 0 | 0 | 110.4 | Y1377 E1378 H1381 T1400 K1633 T1634 G1637 I1761 | Y1377-W1759 AromaticContact CD1-CH2 3.83Å; Y1377-W1759 HydrophobicContact CD1-CH2 3.83Å; Y1377-W1759 HydrophobicContact CD1-CZ3 4.09Å; Y1377-W1759 AromaticContact CE1-CH2 3.5Å; Y1377-W1759 HydrophobicContact CE1-CH2 3.5Å; Y1377-W1759 VanDerWaalsContact CE1-CH2 3.5Å; Y1377-W1759 AromaticContact CE1-CZ3 3.7Å; Y1377-W1759 HydrophobicContact CE1-CZ3 3.7Å; E1378-W1759 HydrophobicContact CG-CZ3 4.31Å; H1381-W1759 AromaticContact CE1-CE3 3.97Å; T1400-W1759 HydrophobicContact CG2-CB 4.18Å; K1633-W1759 VanDerWaalsContact O-CD1 3.31Å; K1633-W1759 PolarHBondContact O-NE1 2.7Å; T1634-W1759 VanDerWaalsContact O-CZ2 3.22Å; T1634-W1759 WeakPolarHBondContact O-CZ2 3.05Å; T1634-W1759 PolarHBondContact O-NE1 2.68Å; T1634-W1759 VanDerWaalsContact O-NE1 3.16Å; G1637-W1759 VanDerWaalsContact CA-CE2 3.48Å; G1637-W1759 VanDerWaalsContact CA-CE3 3.41Å; W1759-I1761 PolarHBondContact O-N 2.8Å | ||
| 1760 | E | 70.5 | Confident | 76.6 | Confident | 92 Ų | 92 | 60.1 Ų | 60.1 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -63.6 | 55.2 | -175.4 | -63.9 | 175.9 | 153.8 | 0 | 0 | 115.2 | K1633 R1778 | K1633-E1760 IonicContact NZ-OE2 2.84Å; K1633-E1760 PolarHBondContact NZ-OE2 3.16Å; E1760-R1778 IonicContact OE1-CZ 3.59Å; E1760-R1778 IonicContact OE1-NH1 3.83Å; E1760-R1778 PolarHBondContact OE1-NH1 2.97Å |
| 1761 | I | 68.9 | Low | 76.3 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.185 | 35% | 0.35 | C | S | . | . | trans | -145.9 | 126.8 | 177.7 | -64.4 | -177.6 | 0 | 0 | 0 | 109.5 | T1634 W1759 | T1634-I1761 HydrophobicContact CG2-CD1 3.94Å; T1634-I1761 WeakPolarHBondContact OG1-CD1 3.21Å; W1759-I1761 PolarHBondContact O-N 2.8Å | ||
| 1762 | D | 65.7 | Low | 76.4 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | trans | -85.7 | 120.9 | 168.5 | -67.5 | -24.1 | 0 | 0 | 0 | 108.6 | P1764 | D1762-P1764 WeakPolarHBondContact O-CD 3.47Š| ||
| 1763 | W | 70.3 | Confident | 76.5 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 10% | 0.095 | 31% | 0.312 | C | S | . | . | trans | -93.4 | 91.2 | 171.7 | -73.8 | 98.3 | 0 | 0 | 0 | 109.5 | W1370 L1374 T1634 Y1635 N1765 V1766 L1769 | W1370-W1763 AromaticContact NE1-CH2 3.67Å; W1370-W1763 AromaticContact NE1-CZ2 3.86Å; L1374-W1763 HydrophobicContact CD2-CB 4.3Å; L1374-W1763 HydrophobicContact CD2-CD2 3.72Å; L1374-W1763 HydrophobicContact CD2-CE3 4.38Å; L1374-W1763 HydrophobicContact CD2-CG 3.68Å; L1374-W1763 HydrophobicContact CD2-CZ2 4.41Å; T1634-W1763 HydrophobicContact CG2-CH2 4.14Å; T1634-W1763 HydrophobicContact CG2-CZ2 4.17Å; T1634-W1763 WeakPolarHBondContact O-CZ2 3.21Å; Y1635-W1763 AromaticContact CD1-CH2 3.63Å; Y1635-W1763 HydrophobicContact CD1-CH2 3.63Å; Y1635-W1763 HydrophobicContact CD1-CZ2 4.33Å; Y1635-W1763 HydrophobicContact CD2-CH2 4.46Å; Y1635-W1763 AromaticContact CE1-CH2 3.54Å; Y1635-W1763 HydrophobicContact CE1-CH2 3.54Å; Y1635-W1763 HydrophobicContact CE1-CZ3 4.14Å; Y1635-W1763 HydrophobicContact CE2-CH2 4.42Å; Y1635-W1763 HydrophobicContact CG-CH2 4.08Å; Y1635-W1763 AromaticContact CZ-CH2 3.98Å; W1763-N1765 PolarHBondContact O-N 2.77Å; W1763-V1766 HydrophobicContact CB-CG2 3.89Å; W1763-L1769 HydrophobicContact CB-CD1 4.31Å | ||
| 1764 | P | 61.7 | Low | 76.3 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 134.6 | 177.1 | 25.1 | -33.3 | 0 | 0 | 0 | 110.3 | D1762 | D1762-P1764 WeakPolarHBondContact O-CD 3.47Š|
| 1765 | N | 65.8 | Low | 75.9 | Confident | 154 Ų | 154 | 51 Ų | 51 | 82% | 0.824 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 30.7 | 175 | -44.7 | -40.6 | 0 | 0 | 0 | 116.3 | W1763 | W1763-N1765 PolarHBondContact O-N 2.77Š|
| 1766 | V | 74.6 | Confident | 75.1 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | trans | -103.2 | 115.2 | 164.5 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | K1371 L1374 P1375 W1763 L1769 | K1371-V1766 HydrophobicContact CB-CG2 4.08Å; K1371-V1766 HydrophobicContact CD-CG2 3.99Å; K1371-V1766 HydrophobicContact CG-CG2 3.71Å; L1374-V1766 HydrophobicContact CD2-CG1 4.37Å; L1374-V1766 HydrophobicContact CD2-CG2 4.21Å; P1375-V1766 HydrophobicContact CG-CG1 4.45Å; W1763-V1766 HydrophobicContact CB-CG2 3.89Å; V1766-L1769 HydrophobicContact CB-CD1 3.93Å; V1766-L1769 HydrophobicContact CB-CD2 4.18Å; V1766-L1769 HydrophobicContact CB-CG 3.9Å; V1766-L1769 HydrophobicContact CG1-CD1 4.37Å; V1766-L1769 HydrophobicContact CG1-CD2 3.74Å; V1766-L1769 HydrophobicContact CG1-CG 3.8Å | ||
| 1767 | A | 68.1 | Low | 73.7 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 153.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1769 | A1767-L1769 VanDerWaalsContact C-N 3.27Å; A1767-L1769 PolarHBondContact O-N 3.32Å |
| 1768 | D | 72.7 | Confident | 71.9 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 80% | 0.797 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 26.3 | 173.8 | -48.9 | -40.1 | 0 | 0 | 0 | 115.5 | ||
| 1769 | L | 80.6 | Confident | 70.1 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.183 | 36% | 0.357 | C | S | . | . | trans | -60.9 | 133.8 | 168 | -73.2 | 173.8 | 0 | 0 | 0 | 109.8 | L1374 P1375 E1378 W1763 V1766 A1767 | L1374-L1769 HydrophobicContact CD2-CD2 3.99Å; L1374-L1769 HydrophobicContact CG-CD2 4.13Å; P1375-L1769 HydrophobicContact CG-CD2 4.45Å; E1378-L1769 WeakPolarHBondContact OE2-CD2 3.5Å; W1763-L1769 HydrophobicContact CB-CD1 4.31Å; V1766-L1769 HydrophobicContact CB-CD1 3.93Å; V1766-L1769 HydrophobicContact CB-CD2 4.18Å; V1766-L1769 HydrophobicContact CB-CG 3.9Å; V1766-L1769 HydrophobicContact CG1-CD1 4.37Å; V1766-L1769 HydrophobicContact CG1-CD2 3.74Å; V1766-L1769 HydrophobicContact CG1-CG 3.8Å; A1767-L1769 VanDerWaalsContact C-N 3.27Å; A1767-L1769 PolarHBondContact O-N 3.32Å | ||
| 1770 | P | 81.5 | Confident | 67.9 | Low | 17 Ų | 17 | 75.6 Ų | 75.6 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | trans | -69.6 | 145.7 | 179.2 | 30.2 | -36.9 | 0 | 0 | 0 | 111.8 | E1378 I1379 Y1757 | E1378-P1770 HydrophobicContact CB-CG 4.21Å; I1379-P1770 HydrophobicContact CG1-CB 4.18Å; I1379-P1770 HydrophobicContact CG1-CG 4.02Å; Y1757-P1770 WeakPolarHBondContact CB-O 3.06Å; Y1757-P1770 HydrophobicContact CD1-CB 3.57Å; Y1757-P1770 HydrophobicContact CD1-CG 3.45Å; Y1757-P1770 VanDerWaalsContact CD1-CG 3.45Å; Y1757-P1770 HydrophobicContact CD2-CB 3.76Å; Y1757-P1770 HydrophobicContact CD2-CG 4.26Å; Y1757-P1770 HydrophobicContact CE1-CB 3.71Å; Y1757-P1770 HydrophobicContact CE1-CG 4.04Å; Y1757-P1770 HydrophobicContact CE2-CB 3.93Å; Y1757-P1770 HydrophobicContact CG-CB 3.57Å; Y1757-P1770 HydrophobicContact CG-CG 3.56Å | ||
| 1771 | E | 79.4 | Confident | 66.5 | Low | 120 Ų | 120 | 75.1 Ų | 75.1 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -121.2 | 146.1 | -177.4 | -73.3 | -68.6 | 170.7 | 0 | 0 | 110.4 | Y1757 R1773 | Y1757-E1771 VanDerWaalsContact CD2-C 3.5Å; Y1757-E1771 WeakPolarHBondContact CE2-O 3.44Å; E1771-R1773 WeakPolarHBondContact OE2-CG 2.99Å; E1771-R1773 PolarHBondContact OE2-N 2.69Å |
| 1772 | P | 83.7 | Confident | 65 | Low | 55 Ų | 55 | 78.1 Ų | 78.1 | 36% | 0.357 | 43% | 0.429 | S | S | . | . | S | Bend | cis | -84.8 | 141.1 | 9.5 | 31.9 | -34 | 0 | 0 | 0 | 114.4 | C1756 Y1757 | C1756-P1772 CarbonylContact C-O 3.46Å; C1756-P1772 WeakPolarHBondContact CA-O 3.46Å; C1756-P1772 WeakPolarHBondContact CB-O 3.2Å; Y1757-P1772 PolarHBondContact N-O 3.44Å |
| 1773 | R | 82.4 | Confident | 63.4 | Low | 14 Ų | 14 | 75.7 Ų | 75.7 | 5% | 0.053 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 140.9 | 174.8 | -55.8 | -59.4 | -66.4 | 170.6 | -4.5 | 113.8 | E1378 E1771 S1775 D1776 | E1378-R1773 IonicContact OE1-CZ 3.94Å; E1378-R1773 IonicContact OE1-NH1 2.77Å; E1378-R1773 PolarHBondContact OE1-NH1 3.05Å; E1378-R1773 VanDerWaalsContact OE1-NH1 3.15Å; E1378-R1773 IonicContact OE1-NH2 2.94Å; E1378-R1773 PolarHBondContact OE1-NH2 3.26Å; E1378-R1773 IonicContact OE2-CZ 2.97Å; E1378-R1773 IonicContact OE2-NH1 3.6Å; E1378-R1773 PolarHBondContact OE2-NH1 2.97Å; E1378-R1773 IonicContact OE2-NH2 3.74Å; E1771-R1773 WeakPolarHBondContact OE2-CG 2.99Å; E1771-R1773 PolarHBondContact OE2-N 2.69Å; R1773-S1775 VanDerWaalsContact C-N 3.27Å; R1773-S1775 PolarHBondContact O-N 3.37Å; R1773-D1776 HydrophobicContact CB-CB 4.45Å; R1773-D1776 PolarHBondContact O-N 2.75Å |
| 1774 | C | 79.8 | Confident | 61.5 | Low | 12 Ų | 12 | 84 Ų | 84 | 8% | 0.081 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66 | -27.3 | 171.5 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | R1385 C1756 Y1757 G1758 D1776 | R1385-C1774 PolarHBondContact NH1-SG 2.78Å; R1385-C1774 PolarHBondContact NH2-SG 3.03Å; R1385-C1774 VanDerWaalsContact NH2-SG 3.44Å; C1756-C1774 HydrophobicContact CB-CB 3.92Å; C1756-C1774 WeakPolarHBondContact CB-SG 3.5Å; C1756-C1774 PolarHBondContact O-SG 3.29Å; C1756-C1774 WeakPolarHBondContact SG-CA 3.34Å; C1756-C1774 WeakPolarHBondContact SG-CB 3.39Å; C1756-C1774 CovalentContact SG-SG 2.03Å; C1756-C1774 PolarHBondContact SG-SG 3.22Å; Y1757-C1774 PolarHBondContact O-N 2.91Å; G1758-C1774 PolarHBondContact O-SG 2.79Å; C1774-D1776 VanDerWaalsContact C-N 3.28Å; C1774-D1776 PolarHBondContact O-N 3.27Å |
| 1775 | S | 70.3 | Confident | 60 | Low | 19 Ų | 19 | 82.9 Ų | 82.9 | 13% | 0.133 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.9 | -27.6 | 175.7 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | R1773 | R1773-S1775 VanDerWaalsContact C-N 3.27Å; R1773-S1775 PolarHBondContact O-N 3.37Å |
| 1776 | D | 62.7 | Low | 58.2 | Low | 64 Ų | 64 | 83.2 Ų | 83.2 | 34% | 0.342 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -90.1 | -28 | -176.2 | -70.4 | -36.8 | 0 | 0 | 0 | 114 | R1773 C1774 R1778 K1779 N1780 | R1773-D1776 HydrophobicContact CB-CB 4.45Å; R1773-D1776 PolarHBondContact O-N 2.75Å; C1774-D1776 VanDerWaalsContact C-N 3.28Å; C1774-D1776 PolarHBondContact O-N 3.27Å; D1776-R1778 VanDerWaalsContact C-N 3.27Å; D1776-R1778 PolarHBondContact O-N 3.43Å; D1776-K1779 PolarHBondContact O-N 3.48Å; D1776-N1780 PolarHBondContact O-N 3.05Å |
| 1777 | R | 54 | Low | 56 | Low | 99 Ų | 99 | 92.2 Ų | 92.2 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -34.7 | 176.3 | -84.2 | -170.1 | 171.7 | 175.9 | -1.2 | 113 | D1754 N1780 A1781 | D1754-R1777 VanDerWaalsContact O-CZ 3.28Å; D1754-R1777 PolarHBondContact O-NH1 3.21Å; D1754-R1777 PolarHBondContact O-NH2 2.81Å; D1754-R1777 IonicContact OD1-NH2 3.93Å; D1754-R1777 PolarHBondContact OD1-NH2 2.84Å; D1754-R1777 IonicContact OD2-NH2 2.76Å; D1754-R1777 PolarHBondContact OD2-NH2 3.38Å; R1777-N1780 PolarHBondContact O-N 3.25Å; R1777-A1781 WeakPolarHBondContact O-CB 3.37Å; R1777-A1781 PolarHBondContact O-N 3.25Å |
| 1778 | R | 48.1 | Very low | 54.1 | Low | 131 Ų | 131 | 97.3 Ų | 97.3 | 49% | 0.494 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.8 | -28.7 | 175.2 | -83.2 | -175.9 | 176.9 | -170.8 | -10.2 | 114 | E1398 E1760 D1776 | E1398-R1778 IonicContact OE2-CZ 3.29Å; E1398-R1778 IonicContact OE2-NE 3.79Å; E1398-R1778 PolarHBondContact OE2-NE 2.93Å; E1398-R1778 IonicContact OE2-NH2 2.79Å; E1398-R1778 PolarHBondContact OE2-NH2 3.3Å; E1760-R1778 IonicContact OE1-CZ 3.59Å; E1760-R1778 IonicContact OE1-NH1 3.83Å; E1760-R1778 PolarHBondContact OE1-NH1 2.97Å; D1776-R1778 VanDerWaalsContact C-N 3.27Å; D1776-R1778 PolarHBondContact O-N 3.43Å |
| 1779 | K | 45.7 | Very low | 51.9 | Low | 130 Ų | 130 | 95.9 Ų | 95.9 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.1 | -38.5 | 174.2 | -74 | 177.5 | -175.5 | 160.5 | 0 | 110.7 | D1776 S1782 | D1776-K1779 PolarHBondContact O-N 3.48Å; K1779-S1782 PolarHBondContact O-OG 3.23Å |
| 1780 | N | 39.9 | Very low | 49.6 | Very low | 142 Ų | 142 | 101 Ų | 101 | 76% | 0.759 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -81 | -25.5 | 177.9 | -76.1 | -15 | 0 | 0 | 0 | 114.5 | D1776 R1777 S1782 G1783 | D1776-N1780 PolarHBondContact O-N 3.05Å; R1777-N1780 PolarHBondContact O-N 3.25Å; N1780-S1782 PolarHBondContact O-N 3.47Å; N1780-G1783 PolarHBondContact O-N 3.32Å |
| 1781 | A | 40.3 | Very low | 47.2 | Very low | 82 Ų | 82 | 113.2 Ų | 113.2 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -8.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1777 G1783 | R1777-A1781 WeakPolarHBondContact O-CB 3.37Å; R1777-A1781 PolarHBondContact O-N 3.25Å; A1781-G1783 VanDerWaalsContact C-N 3.27Å; A1781-G1783 PolarHBondContact O-N 2.73Å |
| 1782 | S | 36.8 | Very low | 45.6 | Very low | 100 Ų | 100 | 112.9 Ų | 112.9 | 70% | 0.699 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 5.5 | 173.9 | 72.6 | 0 | 0 | 0 | 0 | 114.1 | K1779 N1780 K1784 | K1779-S1782 PolarHBondContact O-OG 3.23Å; N1780-S1782 PolarHBondContact O-N 3.47Å; S1782-K1784 PolarHBondContact O-N 3.4Å |
| 1783 | G | 32.8 | Very low | 43.6 | Very low | 58 Ų | 58 | 115.9 Ų | 115.9 | 60% | 0.598 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -81.9 | 102 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | N1780 A1781 | N1780-G1783 PolarHBondContact O-N 3.32Å; A1781-G1783 VanDerWaalsContact C-N 3.27Å; A1781-G1783 PolarHBondContact O-N 2.73Å |
| 1784 | K | 30.9 | Very low | 41.4 | Very low | 199 Ų | 199 | 121.6 Ų | 121.6 | 87% | 0.865 | 63% | 0.627 | S | S | * | * | trans | 72.7 | 106.8 | 176.6 | -56.4 | 176.3 | 177.7 | 176.4 | 0 | 112.6 | S1782 | S1782-K1784 PolarHBondContact O-N 3.4Š| ||
| 1785 | G | 29.8 | Very low | 39.2 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | 74.4 | 94.9 | 59.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1786 | I | 27.3 | Very low | 37.3 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 82% | 0.821 | 69% | 0.692 | S | S | * | * | trans | -165.6 | 122 | 147.5 | -90.4 | 143.7 | 0 | 0 | 0 | 107.3 | F1788 | I1786-F1788 HydrophobicContact CG2-CD2 4.21Š| ||
| 1787 | Y | 28.3 | Very low | 35.6 | Very low | 209 Ų | 209 | 139.5 Ų | 139.5 | 82% | 0.82 | 72% | 0.715 | S | S | * | * | trans | -45 | 145.5 | 160.7 | -88.8 | -111.1 | 0 | 0 | 0 | 112.5 | ||||
| 1788 | F | 29.3 | Very low | 34.2 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | -177.2 | 99.3 | 137.2 | -95 | -69.1 | 0 | 0 | 0 | 105.9 | I1786 | I1786-F1788 HydrophobicContact CG2-CD2 4.21Š| ||
| 1789 | D | 26.3 | Very low | 33.2 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | 82.1 | 110.2 | 93.6 | -87.9 | -17.8 | 0 | 0 | 0 | 113.8 | |||||
| 1790 | I | 32 | Very low | 32.1 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | 33.8 | 99.4 | 140 | -46.7 | 175.7 | 0 | 0 | 0 | 116.6 | ||||
| 1791 | F | 31.7 | Very low | 31.4 | Very low | 273 Ų | 273 | 144.6 Ų | 144.6 | 100% | 1.197 | 78% | 0.776 | S | S | * | * | -173.5 | 0 | 110.9 | -115.6 | -81.4 | 0 | 0 | 0 | 110.7 |
Retrieved 1,791 of 1,791 residues in 1335.5 ms
(Link to these results)